#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bka s SER 5 N 0.00 6.54 -0.40 2.89 0.15 -1.26 -4.84 113.70 116.77 1bka s SER 5 Ca 0.00 0.63 -0.21 0.00 0.70 0.00 0.00 55.95 57.07 1bka s SER 5 Cb 0.00 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.20 1bka s SER 5 CO 0.00 0.30 0.64 -0.69 1.20 0.00 0.00 173.24 174.68 1bka s VAL 6 N -1.21 4.85 -0.71 4.45 1.01 -1.25 -4.87 120.40 122.68 1bka s VAL 6 Ca 0.24 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1bka s VAL 6 Cb -0.14 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1bka s VAL 6 CO 0.13 -0.48 1.12 -1.10 0.00 0.00 0.00 175.10 174.77 1bka s GLN 7 N 2.77 3.16 0.26 2.72 -0.21 -1.25 0.38 119.66 127.49 1bka s GLN 7 Ca 0.23 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.90 1bka s GLN 7 Cb -0.14 -4.24 -0.08 0.00 1.00 0.00 0.00 33.01 29.55 1bka s GLN 7 CO 0.17 -1.97 0.62 -0.46 -2.12 0.00 0.00 175.29 171.53 1bka s TRP 8 N 4.81 3.42 -0.29 0.91 -0.11 0.11 0.85 118.94 128.65 1bka s TRP 8 Ca 0.29 1.03 -0.10 0.00 1.22 0.00 0.00 56.10 58.54 1bka s TRP 8 Cb -0.12 -2.38 -0.03 0.00 -1.50 0.00 0.00 33.47 29.44 1bka s TRP 8 CO 0.12 0.22 0.15 0.00 -4.62 0.00 0.00 176.95 172.82 1bka s ALA 10 N 1.67 3.52 -0.23 0.00 0.00 0.16 -4.81 121.76 122.07 1bka s ALA 10 Ca 0.06 0.16 0.14 0.00 0.00 0.00 0.00 51.96 52.32 1bka s ALA 10 Cb -0.16 -2.77 0.65 0.00 0.00 0.00 0.00 23.12 20.83 1bka s ALA 10 CO 0.07 0.33 1.58 1.33 0.00 0.00 0.00 175.76 179.07 1bka n VAL 11 N 1.79 2.55 -3.60 0.00 0.24 -1.24 -1.38 118.33 116.68 1bka n VAL 11 Ca -0.08 -1.77 0.01 0.00 -2.04 0.00 0.00 64.34 60.46 1bka n VAL 11 Cb 0.50 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.58 1bka n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bka s SER 12 N -1.52 -0.05 0.00 -1.34 1.04 -0.98 -4.21 113.70 106.64 1bka s SER 12 Ca 0.48 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1bka s SER 12 Cb 0.38 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1bka s SER 12 CO 0.11 -0.21 0.94 1.67 0.98 0.00 0.00 173.24 176.72 1bka n GLN 13 N -0.42 0.00 0.09 4.02 7.27 -1.26 0.54 117.38 127.62 1bka n GLN 13 Ca -0.07 0.50 0.05 0.00 0.07 0.00 0.00 57.00 57.54 1bka n GLN 13 Cb 0.62 -1.44 0.25 0.00 2.41 0.00 0.00 30.24 32.09 1bka n GLN 13 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1bka n PRO 14 N -1.92 0.06 -0.03 3.69 -0.04 -1.26 0.56 135.00 136.06 1bka n PRO 14 Ca 0.00 0.50 -0.19 0.00 -0.04 0.00 0.00 63.50 63.78 1bka n PRO 14 Cb 0.00 -1.85 -0.14 0.00 -0.04 0.00 0.00 33.50 31.47 1bka n PRO 14 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bka n GLU 15 N -1.81 0.72 -0.30 0.54 1.02 -0.85 -3.05 120.64 116.92 1bka n GLU 15 Ca -0.01 0.24 -0.03 0.00 -0.02 0.00 0.00 57.16 57.34 1bka n GLU 15 Cb 0.16 -1.68 0.09 0.00 -0.02 0.00 0.00 31.44 29.99 1bka n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bka h ALA 16 N 0.23 1.06 -0.01 0.62 0.00 0.55 -1.01 119.26 120.69 1bka h ALA 16 Ca -0.44 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1bka h ALA 16 Cb 2.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1bka h ALA 16 CO 0.05 0.41 -0.23 1.15 0.00 0.00 0.00 179.25 180.63 1bka h THR 17 N 1.07 0.00 -0.55 0.00 2.02 -1.30 0.61 112.91 114.76 1bka h THR 17 Ca 0.31 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.60 1bka h THR 17 Cb -0.07 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.24 1bka h THR 17 CO -0.09 0.00 -0.08 0.50 0.37 0.00 0.00 175.52 176.22 1bka h LYS 18 N -0.28 0.04 -0.53 6.66 3.64 -1.43 1.23 116.57 125.90 1bka h LYS 18 Ca 0.01 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1bka h LYS 18 Cb 0.31 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1bka h LYS 18 CO -0.16 0.03 0.38 0.00 -2.27 0.00 0.00 179.45 177.43 1bka h PHE 20 N 0.05 -0.05 -0.80 0.00 0.04 0.69 0.94 116.94 117.81 1bka h PHE 20 Ca 0.25 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.10 1bka h PHE 20 Cb 0.95 0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.05 1bka h PHE 20 CO -0.00 0.53 0.47 -0.56 -0.60 0.00 0.00 178.31 178.14 1bka h GLN 21 N -0.95 0.80 -0.34 1.51 3.07 0.44 0.92 115.11 120.56 1bka h GLN 21 Ca -0.01 -0.05 0.07 0.00 0.09 0.00 0.00 58.65 58.76 1bka h GLN 21 Cb 0.60 -0.18 -0.07 0.00 0.08 0.00 0.00 27.48 27.91 1bka h GLN 21 CO 0.01 0.53 -0.14 2.35 0.09 0.00 0.00 178.83 181.67 1bka h TRP 22 N 0.82 -0.33 0.00 0.06 7.01 1.60 -2.47 115.95 122.65 1bka h TRP 22 Ca 0.37 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.40 1bka h TRP 22 Cb 0.26 0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1bka h TRP 22 CO -0.06 -0.21 0.00 0.94 -2.79 0.00 0.00 178.44 176.32 1bka n GLN 23 N -5.32 0.00 -0.37 2.65 7.27 0.32 -3.23 117.38 118.70 1bka n GLN 23 Ca 0.01 0.84 -0.08 0.00 0.07 0.00 0.00 57.00 57.84 1bka n GLN 23 Cb 0.24 -1.40 -0.06 0.00 2.41 0.00 0.00 30.24 31.42 1bka n GLN 23 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1bka n ARG 24 N -2.50 -0.36 0.00 3.69 1.85 -0.02 -1.79 116.66 117.52 1bka n ARG 24 Ca 0.00 1.38 0.07 0.00 -1.00 0.00 0.00 57.85 58.30 1bka n ARG 24 Cb 0.00 -2.04 0.40 0.00 -1.05 0.00 0.00 32.46 29.77 1bka n ARG 24 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1bka n ASN 25 N -5.19 0.00 -0.05 2.89 3.02 -1.12 -1.81 115.26 113.00 1bka n ASN 25 Ca 0.04 -0.55 -0.04 0.00 -0.03 0.00 0.00 54.58 54.00 1bka n ASN 25 Cb 0.27 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1bka n ASN 25 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1bka n MET 26 N -0.93 0.34 0.07 3.52 2.81 -0.74 -3.05 117.12 119.13 1bka n MET 26 Ca 0.10 0.44 0.15 0.00 -1.81 0.00 0.00 57.70 56.58 1bka n MET 26 Cb 0.05 -1.44 0.64 0.00 -0.71 0.00 0.00 33.22 31.76 1bka n MET 26 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1bka h ARG 27 N -0.74 0.08 0.00 0.03 -0.00 -1.65 0.23 114.38 112.33 1bka h ARG 27 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1bka h ARG 27 Cb 0.39 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.35 1bka h ARG 27 CO 0.00 0.05 0.00 1.17 -0.00 0.00 0.00 179.97 181.19 1bka n LYS 28 N -4.45 0.00 0.00 0.08 3.00 -0.75 -2.58 118.16 113.46 1bka n LYS 28 Ca 0.06 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1bka n LYS 28 Cb 0.40 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.27 1bka n LYS 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1bka n VAL 29 N -1.10 0.00 -0.22 3.15 0.31 -0.85 -4.80 118.33 114.82 1bka n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1bka n VAL 29 Cb 0.00 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1bka n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1bka n ARG 30 N -0.69 0.00 -0.88 5.55 5.12 0.54 -5.01 116.66 121.29 1bka n ARG 30 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1bka n ARG 30 Cb 0.00 -1.85 0.25 0.00 -1.16 0.00 0.00 32.46 29.71 1bka n ARG 30 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1bka s GLY 31 N -2.00 1.54 0.66 -0.13 0.00 0.36 -4.86 107.32 102.89 1bka s GLY 31 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 43.65 1bka s GLY 31 CO 0.00 0.02 0.97 -1.55 0.00 0.00 0.00 173.10 172.54 1bka n PRO 32 N -5.01 0.71 -3.36 2.90 -0.05 -1.26 -4.07 135.00 124.85 1bka n PRO 32 Ca 0.13 0.29 -0.33 0.00 -0.05 0.00 0.00 63.50 63.54 1bka n PRO 32 Cb 0.60 -2.20 -0.06 0.00 -0.05 0.00 0.00 33.50 31.79 1bka n PRO 32 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 175.50 174.20 1bka s PRO 33 N -3.06 3.88 -0.08 0.54 0.04 -1.26 -4.41 135.00 130.64 1bka s PRO 33 Ca 0.75 0.39 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1bka s PRO 33 Cb -0.38 -2.68 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1bka s PRO 33 CO 0.48 0.33 -0.10 0.54 0.04 0.00 0.00 177.00 178.29 1bka s VAL 34 N -1.76 1.04 -0.16 -0.36 0.11 -1.26 -3.74 120.40 114.27 1bka s VAL 34 Ca 0.46 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1bka s VAL 34 Cb -0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1bka s VAL 34 CO 0.20 0.35 0.08 -0.94 -3.33 0.00 0.00 175.10 171.46 1bka s SER 35 N 1.10 5.85 -0.01 3.54 1.04 0.16 -4.59 113.70 120.79 1bka s SER 35 Ca -0.06 0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.44 1bka s SER 35 Cb -0.14 -1.95 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 1bka s SER 35 CO -0.01 0.25 0.36 0.00 0.98 0.00 0.00 173.24 174.82 1bka s ILE 37 N -1.09 2.67 -0.03 0.00 1.09 0.14 -4.91 121.20 119.07 1bka s ILE 37 Ca 0.23 -2.15 0.04 0.00 -1.10 0.00 0.00 60.65 57.67 1bka s ILE 37 Cb -0.16 -2.37 -0.00 0.00 -1.06 0.00 0.00 42.46 38.87 1bka s ILE 37 CO 0.12 -0.29 -0.15 -0.75 -0.10 0.00 0.00 174.94 173.78 1bka s LYS 38 N -3.23 1.44 0.17 2.79 2.47 -1.26 0.35 119.74 122.47 1bka s LYS 38 Ca 0.27 -0.52 -0.21 0.00 -1.56 0.00 0.00 55.97 53.95 1bka s LYS 38 Cb -0.06 -1.30 0.06 0.00 -1.46 0.00 0.00 37.83 35.06 1bka s LYS 38 CO 0.14 0.24 0.57 1.03 0.16 0.00 0.00 175.35 177.50 1bka s ARG 39 N -0.04 1.30 0.00 4.03 0.52 -0.48 -4.93 118.95 119.35 1bka s ARG 39 Ca -0.01 -0.59 0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1bka s ARG 39 Cb -0.09 0.57 0.62 0.00 0.52 0.00 0.00 34.95 36.57 1bka s ARG 39 CO 0.01 -0.56 1.48 -0.25 0.02 0.00 0.00 175.30 176.00 1bka n ASP 40 N -0.36 0.96 -3.61 0.23 8.00 -1.26 -2.32 116.55 118.18 1bka n ASP 40 Ca -0.15 -0.78 -0.02 0.00 0.71 0.00 0.00 54.79 54.55 1bka n ASP 40 Cb 0.64 0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.93 1bka n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bka s SER 41 N -2.63 -0.08 0.17 -2.24 1.04 -1.26 -4.88 113.70 103.83 1bka s SER 41 Ca 0.20 -0.02 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 1bka s SER 41 Cb 0.19 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1bka s SER 41 CO 0.58 -0.16 1.57 -0.65 0.98 0.00 0.00 173.24 175.55 1bka h PRO 42 N 2.00 -0.19 -0.72 4.02 0.11 -1.95 1.42 132.00 136.70 1bka h PRO 42 Ca -0.12 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.06 1bka h PRO 42 Cb 1.16 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1bka h PRO 42 CO 0.23 -0.13 0.40 0.82 -0.21 0.00 0.00 178.00 179.12 1bka h ILE 43 N -0.20 0.96 -0.52 4.15 1.08 -1.96 3.18 117.51 124.21 1bka h ILE 43 Ca 0.20 -0.25 -0.12 0.00 -0.39 0.00 0.00 64.86 64.30 1bka h ILE 43 Cb 0.56 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1bka h ILE 43 CO -0.71 0.13 -0.14 0.06 -0.69 0.00 0.00 178.15 176.80 1bka h GLN 44 N 0.73 1.00 -0.49 2.37 3.07 -1.35 0.18 115.11 120.63 1bka h GLN 44 Ca 0.32 -0.39 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1bka h GLN 44 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 1bka h GLN 44 CO -0.19 1.07 0.25 0.00 0.09 0.00 0.00 178.83 180.04 1bka h ILE 46 N 0.65 0.43 0.00 0.00 2.04 0.65 -2.46 117.51 118.81 1bka h ILE 46 Ca 0.17 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1bka h ILE 46 Cb 0.09 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1bka h ILE 46 CO -0.02 0.05 -1.50 0.00 0.00 0.00 0.00 178.15 176.67 1bka n GLN 47 N -3.59 0.63 0.36 2.37 6.02 0.57 -3.73 117.38 120.01 1bka n GLN 47 Ca -0.02 0.04 -0.16 0.00 -0.01 0.00 0.00 57.00 56.85 1bka n GLN 47 Cb 0.15 -1.71 -0.08 0.00 1.02 0.00 0.00 30.24 29.62 1bka n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bka h ALA 48 N 1.78 -1.21 -0.98 -1.58 0.00 -0.11 -3.08 119.26 114.07 1bka h ALA 48 Ca -0.08 -0.21 0.33 0.00 0.00 0.00 0.00 54.91 54.95 1bka h ALA 48 Cb 1.24 0.52 -0.16 0.00 0.00 0.00 0.00 17.79 19.39 1bka h ALA 48 CO 0.01 -1.17 0.48 0.82 0.00 0.00 0.00 179.25 179.39 1bka h ILE 49 N -1.00 0.21 0.00 0.00 2.04 -1.62 0.78 117.51 117.93 1bka h ILE 49 Ca -0.09 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1bka h ILE 49 Cb 0.80 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1bka h ILE 49 CO 0.09 0.04 -0.41 0.00 0.00 0.00 0.00 178.15 177.87 1bka n ALA 50 N -2.39 3.15 -2.08 1.87 0.00 -1.20 -2.93 120.51 116.94 1bka n ALA 50 Ca 0.31 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1bka n ALA 50 Cb 1.00 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 19.34 1bka n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bka n GLU 51 N -1.63 2.03 -3.99 0.00 0.28 -0.81 -4.98 120.64 111.53 1bka n GLU 51 Ca 0.05 -3.41 -0.39 0.00 -0.16 0.00 0.00 57.16 53.25 1bka n GLU 51 Cb 0.36 -1.57 0.01 0.00 1.43 0.00 0.00 31.44 31.67 1bka n GLU 51 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1bka n ASN 52 N -0.64 -3.68 -0.17 -1.84 3.02 -0.88 -4.86 115.26 106.21 1bka n ASN 52 Ca 0.23 -1.11 0.02 0.00 -0.03 0.00 0.00 54.58 53.69 1bka n ASN 52 Cb 0.88 -1.39 0.04 0.00 -0.61 0.00 0.00 39.78 38.70 1bka n ASN 52 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bka n ARG 53 N -4.26 2.25 -3.62 3.52 1.74 0.27 -4.95 116.66 111.60 1bka n ARG 53 Ca -0.13 -1.46 -0.03 0.00 -0.77 0.00 0.00 57.85 55.46 1bka n ARG 53 Cb 0.51 -1.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.86 1bka n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bka s ALA 54 N -0.85 -2.13 -0.22 7.54 0.00 -1.25 -4.81 121.76 120.05 1bka s ALA 54 Ca 0.06 1.73 -0.05 0.00 0.00 0.00 0.00 51.96 53.70 1bka s ALA 54 Cb 0.03 -0.24 -0.12 0.00 0.00 0.00 0.00 23.12 22.80 1bka s ALA 54 CO 0.04 -0.57 -0.24 -0.25 0.00 0.00 0.00 175.76 174.74 1bka n ASP 55 N -0.05 1.94 -4.09 0.00 8.00 0.25 -3.91 116.55 118.68 1bka n ASP 55 Ca 0.03 0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 1bka n ASP 55 Cb 0.57 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 1bka n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bka s ALA 56 N -2.42 0.60 -0.23 2.24 0.00 -0.96 -4.40 121.76 116.59 1bka s ALA 56 Ca -0.30 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.12 1bka s ALA 56 Cb 0.10 0.71 0.09 0.00 0.00 0.00 0.00 23.12 24.01 1bka s ALA 56 CO 0.44 -0.48 0.81 0.54 0.00 0.00 0.00 175.76 177.06 1bka s VAL 57 N -4.00 0.00 -0.00 0.00 0.11 -1.20 -0.48 120.40 114.83 1bka s VAL 57 Ca 0.18 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.08 1bka s VAL 57 Cb 0.07 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.86 1bka s VAL 57 CO -0.02 0.00 0.41 0.28 -3.33 0.00 0.00 175.10 172.44 1bka s THR 58 N -0.04 5.03 0.06 5.04 -1.32 -1.26 0.42 115.64 123.57 1bka s THR 58 Ca -0.01 0.85 -0.10 0.00 -1.21 0.00 0.00 61.69 61.21 1bka s THR 58 Cb -0.04 -3.72 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1bka s THR 58 CO 0.01 0.57 0.21 -0.76 -2.21 0.00 0.00 174.62 172.44 1bka s LEU 59 N -1.02 1.30 0.86 9.08 1.43 0.10 -4.93 118.68 125.50 1bka s LEU 59 Ca 0.24 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 1bka s LEU 59 Cb -0.17 1.07 0.11 0.00 0.03 0.00 0.00 46.19 47.23 1bka s LEU 59 CO 0.13 -0.64 1.11 -0.62 0.23 0.00 0.00 176.35 176.56 1bka s ASP 60 N -2.41 3.64 0.24 2.29 2.15 -1.26 -2.49 116.67 118.82 1bka s ASP 60 Ca -0.01 1.92 -0.05 0.00 0.43 0.00 0.00 52.55 54.84 1bka s ASP 60 Cb 0.01 -2.50 0.38 0.00 -0.30 0.00 0.00 42.92 40.52 1bka s ASP 60 CO -0.07 -2.60 1.81 1.23 -0.17 0.00 0.00 175.17 175.37 1bka h GLY 61 N -1.52 1.24 1.62 2.66 0.00 -1.87 0.43 103.07 105.62 1bka h GLY 61 Ca -0.45 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1bka h GLY 61 CO 0.48 0.13 0.17 -1.33 0.00 0.00 0.00 176.54 175.99 1bka h GLY 62 N 0.78 0.18 0.47 4.60 0.00 -1.92 -2.17 103.07 105.01 1bka h GLY 62 Ca 0.39 -0.06 -0.21 0.00 0.00 0.00 0.00 47.33 47.44 1bka h GLY 62 CO -0.24 0.05 -1.88 0.69 0.00 0.00 0.00 176.54 175.17 1bka n PHE 63 N -4.49 0.47 -0.27 5.60 3.01 -0.38 -3.07 117.46 118.32 1bka n PHE 63 Ca 0.02 0.16 0.03 0.00 1.01 0.00 0.00 57.45 58.66 1bka n PHE 63 Cb 0.21 -0.96 0.24 0.00 -0.01 0.00 0.00 39.48 38.96 1bka n PHE 63 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1bka h ILE 64 N 0.00 1.12 0.50 4.37 2.04 0.43 0.14 117.51 126.11 1bka h ILE 64 Ca -0.27 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1bka h ILE 64 Cb 1.73 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1bka h ILE 64 CO 0.03 0.19 -0.43 0.22 0.00 0.00 0.00 178.15 178.16 1bka h TYR 65 N 1.03 -1.19 -0.53 1.37 3.20 -1.62 0.44 116.97 119.68 1bka h TYR 65 Ca 0.34 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.29 1bka h TYR 65 Cb 0.07 0.45 -0.10 0.00 1.54 0.00 0.00 36.73 38.69 1bka h TYR 65 CO -0.00 -0.59 -0.48 0.93 -1.64 0.00 0.00 178.16 176.38 1bka h GLU 66 N -0.91 -0.27 -0.11 1.82 4.39 -1.40 0.21 114.58 118.30 1bka h GLU 66 Ca -0.06 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.69 1bka h GLU 66 Cb 0.77 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1bka h GLU 66 CO -0.01 -0.18 0.31 0.00 -1.16 0.00 0.00 179.01 177.96 1bka h ALA 67 N 0.39 1.53 0.00 3.43 0.00 -0.55 0.13 119.26 124.20 1bka h ALA 67 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bka h ALA 67 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bka h ALA 67 CO -0.66 -0.36 -0.41 0.78 0.00 0.00 0.00 179.25 178.59 1bka h GLY 68 N 0.00 0.00 -2.03 0.00 0.00 0.17 0.54 103.07 101.74 1bka h GLY 68 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.91 1bka h GLY 68 CO -0.00 0.00 0.38 1.08 0.00 0.00 0.00 176.54 178.00 1bka s LEU 69 N -4.96 3.82 0.70 3.11 1.43 0.45 -4.17 118.68 119.06 1bka s LEU 69 Ca 0.06 1.89 -0.17 0.00 -1.03 0.00 0.00 54.13 54.88 1bka s LEU 69 Cb 0.11 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.78 1bka s LEU 69 CO 0.69 -0.77 1.20 0.00 0.23 0.00 0.00 176.35 177.70 1bka n ALA 70 N -1.04 0.60 0.85 4.21 0.00 -1.26 -1.05 120.51 122.81 1bka n ALA 70 Ca 0.09 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1bka n ALA 70 Cb 0.53 -2.26 0.30 0.00 0.00 0.00 0.00 19.45 18.02 1bka n ALA 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bka n PRO 71 N -2.18 0.10 0.26 0.00 -0.04 -1.26 -4.79 135.00 127.09 1bka n PRO 71 Ca 0.15 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1bka n PRO 71 Cb 0.49 -1.57 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1bka n PRO 71 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bka h TYR 72 N 0.00 -0.62 -5.96 0.54 0.05 -1.40 -3.48 116.97 106.10 1bka h TYR 72 Ca 0.00 -0.01 -0.41 0.00 0.05 0.00 0.00 58.73 58.36 1bka h TYR 72 Cb 0.59 0.21 0.09 0.00 1.01 0.00 0.00 36.73 38.62 1bka h TYR 72 CO 0.00 -0.39 -0.75 1.63 -1.05 0.00 0.00 178.16 177.61 1bka n LYS 73 N -3.86 -6.51 -1.07 4.88 4.01 -0.45 -4.89 118.16 110.28 1bka n LYS 73 Ca -0.08 0.74 -0.30 0.00 -0.51 0.00 0.00 58.31 58.15 1bka n LYS 73 Cb 0.26 -5.65 0.14 0.00 -0.51 0.00 0.00 35.03 29.27 1bka n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1bka s LEU 74 N -6.97 2.45 -0.01 -0.35 1.43 0.19 -4.25 118.68 111.17 1bka s LEU 74 Ca 0.36 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1bka s LEU 74 Cb -0.17 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1bka s LEU 74 CO 0.77 -2.70 -0.02 -0.60 0.23 0.00 0.00 176.35 174.03 1bka s ARG 75 N -4.83 0.25 0.12 1.70 3.52 0.01 -4.13 118.95 115.59 1bka s ARG 75 Ca 0.64 -0.06 -0.31 0.00 -0.13 0.00 0.00 55.73 55.86 1bka s ARG 75 Cb -0.19 -0.28 -0.08 0.00 -1.56 0.00 0.00 34.95 32.84 1bka s ARG 75 CO 0.58 0.02 1.38 -2.14 -0.81 0.00 0.00 175.30 174.32 1bka s PRO 76 N 0.17 4.33 -0.02 5.12 0.02 -1.26 0.52 135.00 143.88 1bka s PRO 76 Ca -0.01 2.07 0.08 0.00 0.02 0.00 0.00 61.00 63.15 1bka s PRO 76 Cb -0.04 -3.24 -0.12 0.00 0.02 0.00 0.00 34.50 31.12 1bka s PRO 76 CO -0.00 -0.42 0.15 1.33 -0.33 0.00 0.00 177.00 177.73 1bka n VAL 77 N 3.82 0.06 -3.82 3.83 0.24 0.13 -4.79 118.33 117.81 1bka n VAL 77 Ca 0.11 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 1bka n VAL 77 Cb 0.42 0.18 -0.13 0.00 -1.47 0.00 0.00 33.84 32.84 1bka n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bka s ALA 78 N -2.49 -0.31 -0.15 2.33 0.00 -1.25 -1.44 121.76 118.44 1bka s ALA 78 Ca -0.03 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1bka s ALA 78 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1bka s ALA 78 CO 0.32 -0.07 -0.00 0.00 0.00 0.00 0.00 175.76 176.01 1bka s ALA 79 N 0.18 3.16 0.51 0.00 0.00 0.22 -0.88 121.76 124.95 1bka s ALA 79 Ca -0.01 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 1bka s ALA 79 Cb -0.02 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 1bka s ALA 79 CO -0.00 0.26 1.32 0.39 0.00 0.00 0.00 175.76 177.73 1bka n GLU 80 N 3.32 1.78 -4.70 0.00 1.02 0.12 -2.41 120.64 119.77 1bka n GLU 80 Ca -0.17 0.65 -0.32 0.00 -0.02 0.00 0.00 57.16 57.29 1bka n GLU 80 Cb 0.53 -2.51 -0.12 0.00 -0.02 0.00 0.00 31.44 29.31 1bka n GLU 80 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1bka s VAL 81 N -1.27 3.15 0.45 2.62 1.01 0.37 -4.59 120.40 122.14 1bka s VAL 81 Ca 0.68 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1bka s VAL 81 Cb -0.44 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1bka s VAL 81 CO 0.52 0.46 0.06 -0.31 0.00 0.00 0.00 175.10 175.83 1bka s TYR 82 N -0.86 1.89 0.00 5.22 2.02 0.83 0.62 117.35 127.06 1bka s TYR 82 Ca 0.14 -1.07 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1bka s TYR 82 Cb -0.11 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1bka s TYR 82 CO 0.04 0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.44 1bka n GLY 83 N -1.05 0.53 3.27 0.71 0.00 -1.26 0.47 105.19 107.85 1bka n GLY 83 Ca -0.11 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 1bka n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bka s THR 84 N 0.00 1.07 0.46 2.61 -4.23 -0.86 -4.81 115.64 109.89 1bka s THR 84 Ca 0.00 -2.04 0.21 0.00 -1.18 0.00 0.00 61.69 58.67 1bka s THR 84 Cb 0.00 -2.02 0.39 0.00 1.34 0.00 0.00 72.50 72.21 1bka s THR 84 CO 0.00 -0.60 1.92 -0.33 -0.54 0.00 0.00 174.62 175.07 1bka h GLU 85 N 2.68 0.25 0.09 3.99 3.07 -1.96 1.19 114.58 123.90 1bka h GLU 85 Ca -0.37 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1bka h GLU 85 Cb 1.20 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1bka h GLU 85 CO 0.64 0.17 -0.04 0.00 -1.40 0.00 0.00 179.01 178.37 1bka h ARG 86 N 0.26 -0.11 -2.53 2.33 3.08 -1.99 -3.38 114.38 112.04 1bka h ARG 86 Ca 0.37 0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.84 1bka h ARG 86 Cb 1.08 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.76 1bka h ARG 86 CO -0.09 0.32 -0.86 0.00 -1.07 0.00 0.00 179.97 178.28 1bka n GLN 87 N -4.93 0.82 -3.48 0.04 10.64 -0.10 -5.10 117.38 115.28 1bka n GLN 87 Ca -0.09 -3.63 -0.31 0.00 -1.83 0.00 0.00 57.00 51.14 1bka n GLN 87 Cb 0.25 -1.83 -0.05 0.00 -0.86 0.00 0.00 30.24 27.75 1bka n GLN 87 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1bka s PRO 88 N -0.62 3.72 0.06 2.61 0.04 0.39 -2.02 135.00 139.17 1bka s PRO 88 Ca 0.31 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.43 1bka s PRO 88 Cb 0.03 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 1bka s PRO 88 CO -0.17 0.34 0.04 -0.98 0.04 0.00 0.00 177.00 176.27 1bka s ARG 89 N -2.90 0.65 -0.46 4.56 1.70 0.18 -4.91 118.95 117.76 1bka s ARG 89 Ca 0.45 -1.08 0.03 0.00 -0.47 0.00 0.00 55.73 54.66 1bka s ARG 89 Cb -0.11 0.24 0.46 0.00 -0.57 0.00 0.00 34.95 34.97 1bka s ARG 89 CO 0.24 -0.15 1.60 0.25 -1.08 0.00 0.00 175.30 176.16 1bka n THR 90 N 0.20 3.04 -3.50 4.99 -2.24 -1.26 -0.12 114.28 115.39 1bka n THR 90 Ca -0.15 -3.51 -0.11 0.00 -2.27 0.00 0.00 64.05 58.01 1bka n THR 90 Cb 0.61 -1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.73 1bka n THR 90 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1bka s HIS 91 N -3.68 -0.47 0.27 4.78 0.00 -1.25 -2.37 115.29 112.57 1bka s HIS 91 Ca 0.57 0.21 0.02 0.00 -3.00 0.00 0.00 55.06 52.86 1bka s HIS 91 Cb 0.46 0.58 -0.03 0.00 -4.00 0.00 0.00 32.58 29.58 1bka s HIS 91 CO 0.02 -0.92 0.23 1.52 -1.00 0.00 0.00 174.74 174.59 1bka s TYR 92 N -3.78 1.37 -0.16 0.38 1.13 0.35 -4.78 117.35 111.86 1bka s TYR 92 Ca 0.03 -1.46 -0.01 0.00 -1.41 0.00 0.00 57.07 54.21 1bka s TYR 92 Cb -0.02 -0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 40.27 1bka s TYR 92 CO -0.09 -0.79 -0.11 0.71 -2.51 0.00 0.00 175.55 172.76 1bka s TYR 93 N -3.78 2.86 -0.48 -3.49 1.51 -1.26 0.14 117.35 112.86 1bka s TYR 93 Ca 0.38 -0.74 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 1bka s TYR 93 Cb 0.04 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1bka s TYR 93 CO 0.19 -0.31 0.77 0.00 -1.11 0.00 0.00 175.55 175.09 1bka s ALA 94 N 0.68 3.28 0.26 3.71 0.00 0.13 -1.58 121.76 128.25 1bka s ALA 94 Ca -0.05 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 50.81 1bka s ALA 94 Cb -0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1bka s ALA 94 CO 0.02 -2.01 0.04 0.14 0.00 0.00 0.00 175.76 173.95 1bka s VAL 95 N 3.26 3.65 -0.33 0.00 -7.23 0.18 0.74 120.40 120.67 1bka s VAL 95 Ca 0.27 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1bka s VAL 95 Cb -0.13 -2.96 0.05 0.00 0.56 0.00 0.00 36.38 33.90 1bka s VAL 95 CO 0.20 -0.37 0.06 0.00 -0.31 0.00 0.00 175.10 174.68 1bka s ALA 96 N -2.29 2.94 -0.21 1.32 0.00 -1.26 -1.42 121.76 120.84 1bka s ALA 96 Ca 0.32 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1bka s ALA 96 Cb -0.07 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 1bka s ALA 96 CO 0.21 -1.36 0.01 0.08 0.00 0.00 0.00 175.76 174.71 1bka s VAL 97 N 1.30 4.04 0.30 0.00 1.01 0.12 -1.20 120.40 125.97 1bka s VAL 97 Ca -0.02 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1bka s VAL 97 Cb -0.20 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 1bka s VAL 97 CO 0.00 0.42 -0.12 0.68 0.00 0.00 0.00 175.10 176.08 1bka s VAL 98 N 1.05 2.11 0.49 2.92 -7.23 -1.12 -1.40 120.40 117.23 1bka s VAL 98 Ca 0.02 -2.24 -0.10 0.00 -1.81 0.00 0.00 61.98 57.85 1bka s VAL 98 Cb -0.14 -2.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 1bka s VAL 98 CO 0.02 -0.32 0.87 -0.54 -0.31 0.00 0.00 175.10 174.82 1bka s LYS 99 N -3.61 3.72 0.38 4.82 1.02 -1.26 -0.81 119.74 123.99 1bka s LYS 99 Ca 0.30 0.56 -0.03 0.00 0.02 0.00 0.00 55.97 56.81 1bka s LYS 99 Cb 0.00 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1bka s LYS 99 CO 0.14 -0.23 0.64 0.15 -0.92 0.00 0.00 175.35 175.13 1bka s LYS 100 N -4.38 3.56 0.00 1.68 1.02 0.34 -4.48 119.74 117.47 1bka s LYS 100 Ca 0.53 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1bka s LYS 100 Cb -0.10 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 1bka s LYS 100 CO 0.39 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1bka n GLY 101 N -1.72 1.32 3.97 -3.33 0.00 -1.26 -4.98 105.19 99.18 1bka n GLY 101 Ca -0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 1bka n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bka s GLY 102 N -0.53 2.00 -0.28 -0.02 0.00 -1.26 -5.10 107.32 102.13 1bka s GLY 102 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1bka s GLY 102 CO 0.00 -1.57 0.38 -0.56 0.00 0.00 0.00 173.10 171.36 1bka s SER 103 N -4.30 0.62 0.06 1.64 0.01 -1.26 -5.09 113.70 105.39 1bka s SER 103 Ca 0.53 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1bka s SER 103 Cb -0.08 0.99 -0.04 0.00 0.21 0.00 0.00 66.02 67.11 1bka s SER 103 CO 0.32 -0.35 -0.05 0.72 0.41 0.00 0.00 173.24 174.28 1bka s PHE 104 N 2.51 0.64 0.33 2.43 -0.12 -1.26 -5.14 117.98 117.37 1bka s PHE 104 Ca 0.10 -0.85 0.00 0.00 -0.05 0.00 0.00 56.93 56.13 1bka s PHE 104 Cb -0.13 -0.41 0.00 0.00 -0.63 0.00 0.00 43.02 41.85 1bka s PHE 104 CO -0.29 -0.22 0.03 1.04 -0.05 0.00 0.00 175.22 175.72 1bka n GLN 105 N 0.48 1.18 0.02 1.99 1.13 -1.26 -4.96 117.38 115.95 1bka n GLN 105 Ca -0.16 -2.40 0.01 0.00 -1.94 0.00 0.00 57.00 52.51 1bka n GLN 105 Cb 0.59 0.61 0.05 0.00 0.11 0.00 0.00 30.24 31.59 1bka n GLN 105 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1bka n LEU 106 N 0.00 0.05 0.02 1.08 7.94 -1.26 -1.55 117.00 123.27 1bka n LEU 106 Ca -0.13 0.45 0.08 0.00 -1.11 0.00 0.00 56.01 55.31 1bka n LEU 106 Cb 0.42 -0.45 -0.12 0.00 0.53 0.00 0.00 43.42 43.80 1bka n LEU 106 CO 0.23 -0.47 -0.55 -0.46 -1.11 0.00 0.00 177.39 175.03 1bka n ASN 107 N -1.50 0.30 -1.79 1.96 6.94 -1.26 -4.37 115.26 115.54 1bka n ASN 107 Ca -0.00 0.12 -0.16 0.00 -0.02 0.00 0.00 54.58 54.52 1bka n ASN 107 Cb 0.08 1.34 0.11 0.00 -2.36 0.00 0.00 39.78 38.95 1bka n ASN 107 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1bka n GLU 108 N -2.47 1.81 0.12 -3.83 1.02 -0.60 -4.43 120.64 112.26 1bka n GLU 108 Ca -0.06 -1.91 0.11 0.00 -0.02 0.00 0.00 57.16 55.28 1bka n GLU 108 Cb 0.64 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1bka n GLU 108 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1bka h LEU 109 N 1.11 0.00 -9.18 -4.62 3.38 -1.76 -3.45 115.31 100.78 1bka h LEU 109 Ca 0.40 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.67 1bka h LEU 109 Cb 2.08 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.90 1bka h LEU 109 CO 0.72 0.05 0.13 1.67 0.09 0.00 0.00 178.44 181.11 1bka n GLN 110 N -2.77 0.68 0.00 1.13 7.27 -1.26 -0.60 117.38 121.83 1bka n GLN 110 Ca -0.00 0.24 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1bka n GLN 110 Cb 0.57 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.52 1bka n GLN 110 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bka n GLY 111 N 1.95 1.42 3.35 1.69 0.00 1.20 -4.93 105.19 109.88 1bka n GLY 111 Ca 0.17 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1bka n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bka n LEU 112 N 0.00 -1.49 -4.78 0.99 4.32 0.23 -1.32 117.00 114.94 1bka n LEU 112 Ca 0.00 -0.41 -0.36 0.00 -0.02 0.00 0.00 56.01 55.22 1bka n LEU 112 Cb 0.00 -1.12 -0.08 0.00 -1.62 0.00 0.00 43.42 40.60 1bka n LEU 112 CO 0.00 -3.73 -0.23 -0.54 -1.22 0.00 0.00 177.39 171.67 1bka s LYS 113 N -4.45 3.35 0.09 3.23 1.02 -1.26 -1.53 119.74 120.19 1bka s LYS 113 Ca 0.66 -0.25 0.07 0.00 0.02 0.00 0.00 55.97 56.47 1bka s LYS 113 Cb -0.20 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1bka s LYS 113 CO 0.62 0.69 -0.20 -1.54 -0.92 0.00 0.00 175.35 174.01 1bka s SER 114 N -0.80 2.36 -0.09 2.83 1.04 -1.13 -0.53 113.70 117.38 1bka s SER 114 Ca 0.13 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1bka s SER 114 Cb -0.12 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.86 1bka s SER 114 CO 0.03 0.05 -0.17 0.00 0.98 0.00 0.00 173.24 174.12 1bka s HIS 116 N -0.07 0.95 0.26 0.00 3.76 -0.87 -1.81 115.29 117.50 1bka s HIS 116 Ca -0.04 -0.80 0.03 0.00 -0.15 0.00 0.00 55.06 54.11 1bka s HIS 116 Cb -0.14 -0.53 0.32 0.00 1.11 0.00 0.00 32.58 33.34 1bka s HIS 116 CO 0.04 -0.08 1.63 1.79 -0.85 0.00 0.00 174.74 177.27 1bka h THR 117 N 3.23 1.32 0.00 1.30 1.35 -1.75 -3.42 112.91 114.94 1bka h THR 117 Ca -0.36 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1bka h THR 117 Cb 1.18 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1bka h THR 117 CO 0.59 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.97 1bka n GLY 118 N -0.04 2.28 3.71 5.82 0.00 -1.26 -2.46 105.19 113.24 1bka n GLY 118 Ca -0.02 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1bka n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bka s LEU 119 N 0.00 4.37 -0.57 0.99 2.96 0.12 -3.50 118.68 123.05 1bka s LEU 119 Ca 0.00 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1bka s LEU 119 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1bka s LEU 119 CO 0.00 -0.56 0.00 0.54 -1.32 0.00 0.00 176.35 175.01 1bka n ARG 120 N 3.95 -0.40 -4.38 1.98 3.00 -1.26 -5.01 116.66 114.54 1bka n ARG 120 Ca 0.10 0.59 -0.34 0.00 -0.01 0.00 0.00 57.85 58.19 1bka n ARG 120 Cb 0.44 -4.35 -0.10 0.00 0.00 0.00 0.00 32.46 28.45 1bka n ARG 120 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1bka s ARG 121 N -2.91 3.18 0.00 5.56 0.52 -1.23 -4.04 118.95 120.03 1bka s ARG 121 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1bka s ARG 121 Cb 0.00 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1bka s ARG 121 CO 0.00 0.57 0.71 2.41 0.02 0.00 0.00 175.30 179.01 1bka n THR 122 N 2.55 0.00 0.04 0.02 -1.04 -1.26 0.77 114.28 115.36 1bka n THR 122 Ca -0.18 1.13 -0.07 0.00 -2.04 0.00 0.00 64.05 62.88 1bka n THR 122 Cb 0.53 -1.54 0.09 0.00 -1.82 0.00 0.00 70.33 67.59 1bka n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bka h ALA 123 N -1.07 0.78 0.00 2.41 0.00 -1.93 0.58 119.26 120.02 1bka h ALA 123 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bka h ALA 123 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bka h ALA 123 CO 0.00 0.70 -0.70 0.78 0.00 0.00 0.00 179.25 180.03 1bka h GLY 124 N 1.24 0.00 0.00 0.00 0.00 -1.58 -3.40 103.07 99.32 1bka h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bka h GLY 124 CO 0.10 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.51 1bka n TRP 125 N -2.27 0.00 -0.37 5.60 -0.00 0.23 -4.31 117.44 116.33 1bka n TRP 125 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.47 1bka n TRP 125 Cb 0.47 0.05 -0.02 0.00 -0.00 0.00 0.00 31.31 31.81 1bka n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1bka h ASN 126 N 0.00 -1.70 0.64 5.87 2.35 -1.46 0.29 115.58 121.57 1bka h ASN 126 Ca 0.00 0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 56.03 1bka h ASN 126 Cb 0.00 0.81 0.01 0.00 0.05 0.00 0.00 38.32 39.19 1bka h ASN 126 CO 0.00 -0.28 -0.31 0.58 -1.65 0.00 0.00 177.43 175.78 1bka h VAL 127 N -0.04 0.00 0.12 2.81 2.07 -0.03 -2.66 116.25 118.52 1bka h VAL 127 Ca 0.26 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1bka h VAL 127 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1bka h VAL 127 CO -0.92 0.00 -0.11 1.55 0.02 0.00 0.00 177.57 178.11 1bka h PRO 128 N -0.96 -0.23 -0.17 1.57 0.13 -1.73 -0.83 132.00 129.77 1bka h PRO 128 Ca -0.09 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.11 1bka h PRO 128 Cb 0.66 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1bka h PRO 128 CO 0.14 -0.16 0.14 0.82 -0.23 0.00 0.00 178.00 178.71 1bka h ILE 129 N -0.24 0.75 0.00 -3.56 1.08 -0.54 0.11 117.51 115.11 1bka h ILE 129 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.32 1bka h ILE 129 Cb 0.23 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1bka h ILE 129 CO -0.03 0.00 -0.74 1.23 -0.69 0.00 0.00 178.15 177.92 1bka h GLY 130 N 0.00 0.00 1.06 5.37 0.00 -0.96 -2.60 103.07 105.94 1bka h GLY 130 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 1bka h GLY 130 CO -0.00 0.00 -0.48 -0.84 0.00 0.00 0.00 176.54 175.22 1bka h THR 131 N 0.00 1.30 -0.42 4.70 2.02 0.52 -3.25 112.91 117.77 1bka h THR 131 Ca -0.01 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1bka h THR 131 Cb 1.38 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1bka h THR 131 CO 0.10 0.54 0.00 0.18 0.37 0.00 0.00 175.52 176.71 1bka n LEU 132 N -4.11 2.30 -0.19 2.58 4.77 -0.13 -4.51 117.00 117.71 1bka n LEU 132 Ca -0.05 -1.14 -0.01 0.00 -0.03 0.00 0.00 56.01 54.78 1bka n LEU 132 Cb 0.59 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1bka n LEU 132 CO 0.48 0.57 0.81 -0.09 -1.33 0.00 0.00 177.39 177.83 1bka h ARG 133 N 2.53 0.08 0.00 3.23 2.43 -1.50 -1.64 114.38 119.51 1bka h ARG 133 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bka h ARG 133 Cb 0.58 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1bka h ARG 133 CO 0.00 0.05 0.20 -2.30 -1.51 0.00 0.00 179.97 176.41 1bka n PRO 134 N -5.31 0.03 0.00 0.20 -0.02 -1.26 0.12 135.00 128.76 1bka n PRO 134 Ca 0.07 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.96 1bka n PRO 134 Cb 0.32 -1.79 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1bka n PRO 134 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1bka n PHE 135 N -1.55 0.00 0.11 6.00 3.72 -0.64 -4.60 117.46 120.50 1bka n PHE 135 Ca -0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1bka n PHE 135 Cb 0.20 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.86 1bka n PHE 135 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1bka h LEU 136 N 0.08 0.10 -2.45 4.37 3.38 -0.06 -3.47 115.31 117.26 1bka h LEU 136 Ca 0.00 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 1bka h LEU 136 Cb 0.06 -0.03 0.18 0.00 0.09 0.00 0.00 40.66 40.96 1bka h LEU 136 CO 0.00 0.74 -0.77 0.59 0.09 0.00 0.00 178.44 179.10 1bka n ASN 137 N -3.78 -5.89 -4.36 -0.43 3.02 -1.24 -4.89 115.26 97.69 1bka n ASN 137 Ca -0.02 -0.63 -0.39 0.00 -0.03 0.00 0.00 54.58 53.51 1bka n ASN 137 Cb 0.66 -4.73 -0.12 0.00 -0.61 0.00 0.00 39.78 34.98 1bka n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1bka s TRP 138 N -3.35 3.22 0.55 3.10 -0.00 -1.26 -4.92 118.94 116.28 1bka s TRP 138 Ca 0.38 -0.97 0.23 0.00 -0.00 0.00 0.00 56.10 55.74 1bka s TRP 138 Cb -0.05 -2.37 1.50 0.00 -0.00 0.00 0.00 33.47 32.55 1bka s TRP 138 CO 0.66 -0.62 2.15 1.15 -0.00 0.00 0.00 176.95 180.30 1bka h THR 139 N 5.89 0.75 0.00 5.86 2.02 -1.92 -3.43 112.91 122.08 1bka h THR 139 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1bka h THR 139 Cb 1.11 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1bka h THR 139 CO 0.64 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.14 1bka n GLY 140 N -1.47 -2.78 3.67 2.16 0.00 -1.26 -4.84 105.19 100.66 1bka n GLY 140 Ca -0.01 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1bka n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bka n PRO 141 N -0.05 0.99 0.00 1.61 -0.02 -1.26 -1.35 135.00 134.93 1bka n PRO 141 Ca 0.00 0.39 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 1bka n PRO 141 Cb 0.00 -2.33 0.82 0.00 -0.02 0.00 0.00 33.50 31.97 1bka n PRO 141 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1bka n PRO 142 N -1.42 0.72 -2.38 0.52 -0.02 -1.26 -4.96 135.00 126.20 1bka n PRO 142 Ca 0.15 0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1bka n PRO 142 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.43 1bka n PRO 142 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1bka s GLU 143 N -2.24 3.25 0.19 -0.52 2.12 -0.45 -4.95 118.70 116.09 1bka s GLU 143 Ca 0.38 0.41 -0.33 0.00 0.36 0.00 0.00 54.97 55.79 1bka s GLU 143 Cb 0.20 -4.15 -0.14 0.00 0.26 0.00 0.00 34.13 30.30 1bka s GLU 143 CO 0.39 -2.01 1.40 -0.35 -0.54 0.00 0.00 175.26 174.15 1bka n PRO 144 N 8.76 1.83 -0.33 4.30 -0.04 -1.26 -4.51 135.00 143.74 1bka n PRO 144 Ca 0.12 0.66 0.24 0.00 -0.04 0.00 0.00 63.50 64.48 1bka n PRO 144 Cb 0.49 -2.31 0.52 0.00 -0.04 0.00 0.00 33.50 32.16 1bka n PRO 144 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1bka h ILE 145 N 3.16 0.49 -0.87 0.52 6.09 -1.93 0.52 117.51 125.49 1bka h ILE 145 Ca -0.45 -0.12 0.22 0.00 -1.37 0.00 0.00 64.86 63.13 1bka h ILE 145 Cb 1.29 0.10 -0.16 0.00 0.47 0.00 0.00 36.82 38.52 1bka h ILE 145 CO 0.78 0.07 0.03 -0.33 -3.07 0.00 0.00 178.15 175.63 1bka h GLU 146 N 0.36 0.07 -0.65 2.19 3.07 -1.96 0.67 114.58 118.34 1bka h GLU 146 Ca 0.61 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.56 1bka h GLU 146 Cb 1.60 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.42 1bka h GLU 146 CO -0.30 0.05 0.30 0.00 -1.40 0.00 0.00 179.01 177.65 1bka h ALA 147 N 1.84 0.88 -0.17 3.43 0.00 -1.23 0.15 119.26 124.16 1bka h ALA 147 Ca 0.50 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.33 1bka h ALA 147 Cb 0.96 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1bka h ALA 147 CO -0.78 -0.11 -0.52 0.00 0.00 0.00 0.00 179.25 177.84 1bka h ALA 148 N 1.41 0.78 -0.03 0.00 0.00 0.24 -3.15 119.26 118.51 1bka h ALA 148 Ca 0.32 -0.50 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 1bka h ALA 148 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1bka h ALA 148 CO -0.27 0.68 -0.88 -0.24 0.00 0.00 0.00 179.25 178.53 1bka h VAL 149 N 0.38 1.39 0.00 0.00 3.04 -0.46 -1.23 116.25 119.37 1bka h VAL 149 Ca 0.01 -2.35 0.00 0.00 -1.01 0.00 0.00 66.70 63.35 1bka h VAL 149 Cb 1.04 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 32.64 1bka h VAL 149 CO 0.09 0.70 0.00 0.00 -1.01 0.00 0.00 177.57 177.36 1bka n ALA 150 N -2.54 1.40 0.05 3.17 0.00 0.47 -0.31 120.51 122.75 1bka n ALA 150 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1bka n ALA 150 Cb 0.80 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 1bka n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bka n ARG 151 N -1.40 0.86 -0.02 0.00 1.74 -1.04 -4.67 116.66 112.14 1bka n ARG 151 Ca 0.02 -0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 56.93 1bka n ARG 151 Cb 0.07 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.27 1bka n ARG 151 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1bka h PHE 152 N 0.00 -0.07 -2.83 -1.55 3.57 0.57 -3.45 116.94 113.18 1bka h PHE 152 Ca 0.00 -0.00 -0.51 0.00 3.53 0.00 0.00 57.97 60.99 1bka h PHE 152 Cb 0.34 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1bka h PHE 152 CO 0.00 0.54 -0.27 -0.06 -2.23 0.00 0.00 178.31 176.29 1bka s PHE 153 N -2.88 3.48 0.00 0.41 0.08 -0.52 0.38 117.98 118.93 1bka s PHE 153 Ca -0.14 0.36 -0.25 0.00 0.12 0.00 0.00 56.93 57.02 1bka s PHE 153 Cb -0.01 -1.88 -0.16 0.00 -0.57 0.00 0.00 43.02 40.40 1bka s PHE 153 CO 0.54 0.28 1.20 0.66 -0.10 0.00 0.00 175.22 177.79 1bka h SER 154 N 1.52 -0.36 -5.06 1.36 4.64 -0.13 -3.43 113.55 112.09 1bka h SER 154 Ca -0.49 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 60.52 1bka h SER 154 Cb 1.20 0.09 -0.19 0.00 -0.31 0.00 0.00 62.40 63.20 1bka h SER 154 CO 0.65 0.02 -0.60 0.00 -0.87 0.00 0.00 176.83 176.03 1bka s ALA 155 N -4.74 0.04 0.28 5.18 0.00 -1.26 -4.90 121.76 116.35 1bka s ALA 155 Ca -0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 1bka s ALA 155 Cb 0.02 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 1bka s ALA 155 CO 0.53 -0.25 0.45 -1.12 0.00 0.00 0.00 175.76 175.36 1bka s SER 156 N -1.90 0.28 -0.20 0.00 0.01 0.22 -2.83 113.70 109.28 1bka s SER 156 Ca -0.09 -1.18 -0.00 0.00 1.31 0.00 0.00 55.95 55.99 1bka s SER 156 Cb -0.04 0.60 0.05 0.00 0.21 0.00 0.00 66.02 66.84 1bka s SER 156 CO -0.03 -1.18 -0.04 0.00 0.41 0.00 0.00 173.24 172.40 1bka n VAL 158 N 4.82 -0.44 -1.60 0.00 0.31 0.37 -2.05 118.33 119.74 1bka n VAL 158 Ca -0.12 -3.96 -0.61 0.00 -0.01 0.00 0.00 64.34 59.64 1bka n VAL 158 Cb 0.46 -1.87 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 1bka n VAL 158 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1bka n PRO 159 N 1.94 0.14 0.00 5.55 -0.02 -1.26 0.22 135.00 141.58 1bka n PRO 159 Ca 0.25 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1bka n PRO 159 Cb 0.49 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 1bka n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bka n GLY 160 N 2.50 3.07 3.67 -1.23 0.00 -0.16 0.11 105.19 113.15 1bka n GLY 160 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 1bka n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bka s ALA 161 N -2.56 1.28 -0.65 4.61 0.00 0.61 -4.89 121.76 120.16 1bka s ALA 161 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 1bka s ALA 161 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1bka s ALA 161 CO 0.00 -2.68 1.29 0.34 0.00 0.00 0.00 175.76 174.71 1bka s ASP 162 N -2.94 6.23 0.33 0.00 -1.08 -1.26 -4.82 116.67 113.12 1bka s ASP 162 Ca 0.65 -0.11 0.09 0.00 -0.52 0.00 0.00 52.55 52.66 1bka s ASP 162 Cb -0.21 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.51 1bka s ASP 162 CO 0.59 -1.71 1.80 0.11 0.52 0.00 0.00 175.17 176.48 1bka h LYS 163 N 10.18 0.68 0.00 4.34 1.57 -1.90 1.99 116.57 133.43 1bka h LYS 163 Ca -0.27 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1bka h LYS 163 Cb 1.06 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1bka h LYS 163 CO 1.23 0.45 0.00 0.41 -0.57 0.00 0.00 179.45 180.97 1bka n GLY 164 N -1.38 -2.97 0.12 3.86 0.00 -1.26 -2.47 105.19 101.08 1bka n GLY 164 Ca 0.22 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 1bka n GLY 164 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1bka h GLN 165 N 0.00 0.27 -2.14 1.61 4.20 -1.92 -3.40 115.11 113.73 1bka h GLN 165 Ca 0.00 -0.38 -0.59 0.00 0.06 0.00 0.00 58.65 57.74 1bka h GLN 165 Cb 0.00 0.13 -0.42 0.00 0.30 0.00 0.00 27.48 27.49 1bka h GLN 165 CO 0.00 1.13 -0.64 1.19 -0.67 0.00 0.00 178.83 179.84 1bka n PHE 166 N -3.59 3.93 -0.32 2.96 3.72 0.67 -4.96 117.46 119.87 1bka n PHE 166 Ca -0.07 -3.81 -0.01 0.00 -0.05 0.00 0.00 57.45 53.52 1bka n PHE 166 Cb 0.94 -0.42 0.04 0.00 -0.94 0.00 0.00 39.48 39.10 1bka n PHE 166 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1bka n PRO 167 N -0.29 -0.19 -0.11 -1.08 -0.01 -1.03 -1.29 135.00 131.00 1bka n PRO 167 Ca 0.33 1.30 0.18 0.00 -0.01 0.00 0.00 63.50 65.29 1bka n PRO 167 Cb 0.44 -1.92 0.58 0.00 -0.01 0.00 0.00 33.50 32.59 1bka n PRO 167 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 175.50 174.58 1bka h ASN 168 N 0.00 0.23 0.53 2.55 2.35 -1.89 0.09 115.58 119.44 1bka h ASN 168 Ca 0.30 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1bka h ASN 168 Cb 0.51 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1bka h ASN 168 CO -0.84 0.12 -0.39 -0.07 -1.65 0.00 0.00 177.43 174.60 1bka h LEU 169 N 0.25 0.00 -0.17 1.61 3.38 -1.40 0.62 115.31 119.60 1bka h LEU 169 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1bka h LEU 169 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1bka h LEU 169 CO -0.07 0.39 -0.61 0.00 0.09 0.00 0.00 178.44 178.24 1bka h ARG 171 N 0.33 0.00 -0.24 0.00 3.08 -0.91 0.52 114.38 117.16 1bka h ARG 171 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bka h ARG 171 Cb 0.38 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1bka h ARG 171 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1bka n LEU 172 N -5.58 2.54 -4.62 3.04 4.77 -0.48 -4.91 117.00 111.77 1bka n LEU 172 Ca 0.17 -1.05 -0.44 0.00 -0.03 0.00 0.00 56.01 54.66 1bka n LEU 172 Cb 0.56 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1bka n LEU 172 CO -0.10 0.53 0.67 0.00 -1.33 0.00 0.00 177.39 177.16 1bka n ALA 174 N 0.38 2.44 -0.99 0.00 0.00 -1.26 -4.83 120.51 116.24 1bka n ALA 174 Ca 0.09 -0.80 -0.30 0.00 0.00 0.00 0.00 53.44 52.43 1bka n ALA 174 Cb 0.33 -0.73 0.24 0.00 0.00 0.00 0.00 19.45 19.28 1bka n ALA 174 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1bka s GLY 175 N -1.58 1.56 -0.22 0.00 0.00 -1.26 -4.77 107.32 101.04 1bka s GLY 175 Ca 0.29 -0.80 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 1bka s GLY 175 CO 0.27 0.05 0.04 -1.59 0.00 0.00 0.00 173.10 171.87 1bka s THR 176 N -2.89 4.21 0.00 0.90 2.01 -1.26 -4.08 115.64 114.52 1bka s THR 176 Ca 0.70 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1bka s THR 176 Cb -0.12 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1bka s THR 176 CO 0.57 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.50 1bka n GLY 177 N 4.53 3.32 0.00 4.40 0.00 -1.26 -0.64 105.19 115.54 1bka n GLY 177 Ca -0.17 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.69 1bka n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bka n GLU 178 N 14.00 0.07 0.13 1.61 -0.58 -1.26 -1.12 120.64 133.49 1bka n GLU 178 Ca 0.00 0.22 0.09 0.00 -0.42 0.00 0.00 57.16 57.06 1bka n GLU 178 Cb 0.00 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.41 1bka n GLU 178 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1bka h ASN 179 N 0.00 0.00 -2.81 1.62 2.35 -1.21 -3.45 115.58 112.08 1bka h ASN 179 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1bka h ASN 179 Cb 0.04 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.44 1bka h ASN 179 CO 0.00 0.13 0.89 -0.75 -1.65 0.00 0.00 177.43 176.06 1bka s LYS 180 N -3.21 4.23 -1.28 0.81 2.20 -0.28 -2.48 119.74 119.72 1bka s LYS 180 Ca 0.02 2.29 -0.02 0.00 -0.36 0.00 0.00 55.97 57.90 1bka s LYS 180 Cb 0.08 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1bka s LYS 180 CO 0.75 -0.62 0.29 0.00 -0.36 0.00 0.00 175.35 175.41 1bka s ALA 182 N -2.95 3.43 -1.42 0.00 0.00 -1.03 -0.99 121.76 118.80 1bka s ALA 182 Ca 0.14 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.06 1bka s ALA 182 Cb -0.06 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.39 1bka s ALA 182 CO 0.18 0.37 2.43 0.34 0.00 0.00 0.00 175.76 179.07 1bka n PHE 183 N 0.43 2.74 0.00 0.00 7.35 -1.26 -4.33 117.46 122.39 1bka n PHE 183 Ca -0.01 -2.91 0.00 0.00 -0.76 0.00 0.00 57.45 53.76 1bka n PHE 183 Cb 0.52 -2.15 0.00 0.00 0.35 0.00 0.00 39.48 38.20 1bka n PHE 183 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1bka n SER 184 N 3.28 0.00 0.29 -2.13 3.41 -1.26 -5.00 113.62 112.21 1bka n SER 184 Ca 0.61 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.42 1bka n SER 184 Cb 0.28 0.00 0.96 0.00 -0.26 0.00 0.00 64.21 65.20 1bka n SER 184 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bka h SER 185 N 0.00 0.00 -0.61 4.04 0.02 -1.97 -1.00 113.55 114.02 1bka h SER 185 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1bka h SER 185 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1bka h SER 185 CO 0.00 0.00 0.40 1.56 -1.14 0.00 0.00 176.83 177.65 1bka h GLN 186 N 0.00 0.77 -6.28 3.45 1.08 -1.90 -3.36 115.11 108.88 1bka h GLN 186 Ca 0.00 -0.05 -0.53 0.00 -1.45 0.00 0.00 58.65 56.62 1bka h GLN 186 Cb 0.17 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.36 1bka h GLN 186 CO 0.00 0.51 1.14 -2.00 -0.95 0.00 0.00 178.83 177.53 1bka s GLU 187 N -6.14 3.09 0.45 1.46 2.56 -0.38 -4.67 118.70 115.07 1bka s GLU 187 Ca -0.13 0.17 0.30 0.00 0.00 0.00 0.00 54.97 55.31 1bka s GLU 187 Cb 0.14 -4.21 1.39 0.00 2.00 0.00 0.00 34.13 33.44 1bka s GLU 187 CO 0.76 -2.22 1.67 -1.35 -0.56 0.00 0.00 175.26 173.55 1bka h PRO 188 N 11.51 0.14 -0.47 4.30 0.11 -1.84 -0.82 132.00 144.94 1bka h PRO 188 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1bka h PRO 188 Cb 1.09 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1bka h PRO 188 CO 1.23 0.09 0.00 0.66 -0.21 0.00 0.00 178.00 179.77 1bka n TYR 189 N -4.56 0.61 -2.00 0.65 4.01 -1.26 -4.17 117.16 110.44 1bka n TYR 189 Ca 0.34 -0.27 -0.30 0.00 -0.16 0.00 0.00 57.90 57.51 1bka n TYR 189 Cb 1.33 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 40.31 1bka n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1bka s PHE 190 N -1.60 3.48 0.00 -0.72 5.36 -0.31 -0.71 117.98 123.48 1bka s PHE 190 Ca 0.25 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1bka s PHE 190 Cb 0.14 -2.80 0.00 0.00 -0.34 0.00 0.00 43.02 40.02 1bka s PHE 190 CO 0.14 -0.83 0.00 0.45 -1.46 0.00 0.00 175.22 173.52 1bka n SER 191 N -2.78 -4.30 -0.33 6.13 2.88 -1.03 -0.73 113.62 113.47 1bka n SER 191 Ca 0.06 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.62 1bka n SER 191 Cb 0.56 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.22 1bka n SER 191 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1bka h TYR 192 N 0.00 1.12 0.07 0.66 0.05 -1.92 -2.48 116.97 114.46 1bka h TYR 192 Ca 0.00 0.03 -0.24 0.00 0.05 0.00 0.00 58.73 58.56 1bka h TYR 192 Cb 0.00 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.36 1bka h TYR 192 CO 0.00 0.60 -1.14 0.77 -1.05 0.00 0.00 178.16 177.35 1bka h SER 193 N 1.12 0.22 0.18 3.88 0.02 -1.94 -3.08 113.55 113.95 1bka h SER 193 Ca 0.40 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1bka h SER 193 Cb 0.14 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1bka h SER 193 CO -0.14 1.19 -0.13 1.23 -1.14 0.00 0.00 176.83 177.83 1bka h GLY 194 N 2.27 -0.67 -1.50 -3.77 0.00 -0.78 0.11 103.07 98.72 1bka h GLY 194 Ca -0.08 0.29 0.50 0.00 0.00 0.00 0.00 47.33 48.04 1bka h GLY 194 CO 0.17 -0.24 1.08 0.00 0.00 0.00 0.00 176.54 177.55 1bka h ALA 195 N -1.64 3.21 0.16 3.60 0.00 -0.45 1.89 119.26 126.02 1bka h ALA 195 Ca -0.02 0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 1bka h ALA 195 Cb 0.25 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1bka h ALA 195 CO 0.01 -1.83 -1.42 0.35 0.00 0.00 0.00 179.25 176.36 1bka h PHE 196 N 0.02 0.60 -0.43 0.00 3.57 -1.30 -2.60 116.94 116.81 1bka h PHE 196 Ca 0.88 -0.44 -0.05 0.00 3.53 0.00 0.00 57.97 61.89 1bka h PHE 196 Cb 3.11 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 41.81 1bka h PHE 196 CO -0.00 1.40 0.07 -0.22 -2.23 0.00 0.00 178.31 177.33 1bka h LYS 197 N 0.09 0.70 -0.07 1.11 3.64 0.51 0.68 116.57 123.23 1bka h LYS 197 Ca -0.21 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1bka h LYS 197 Cb 2.04 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.72 1bka h LYS 197 CO 0.20 0.74 -0.38 0.00 -2.27 0.00 0.00 179.45 177.74 1bka h LEU 199 N -0.49 0.40 -0.10 0.00 5.85 -1.15 -1.50 115.31 118.32 1bka h LEU 199 Ca 0.07 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1bka h LEU 199 Cb 0.60 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1bka h LEU 199 CO -0.34 0.27 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.82 1bka h ARG 200 N 0.54 -0.13 0.00 1.25 2.43 0.29 -1.20 114.38 117.56 1bka h ARG 200 Ca 0.25 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1bka h ARG 200 Cb 0.17 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1bka h ARG 200 CO -0.18 -0.09 0.00 -0.25 -1.51 0.00 0.00 179.97 177.94 1bka n ASP 201 N -5.25 0.00 0.00 -3.80 8.00 0.51 -4.83 116.55 111.18 1bka n ASP 201 Ca -0.04 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1bka n ASP 201 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1bka n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bka n GLY 202 N 0.29 1.49 0.27 0.44 0.00 -0.45 -4.88 105.19 102.35 1bka n GLY 202 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1bka n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bka h ALA 203 N 0.00 -0.47 -1.49 4.61 0.00 -1.50 -3.43 119.26 116.98 1bka h ALA 203 Ca 0.00 -0.07 -0.45 0.00 0.00 0.00 0.00 54.91 54.39 1bka h ALA 203 Cb 0.00 0.33 0.05 0.00 0.00 0.00 0.00 17.79 18.17 1bka h ALA 203 CO 0.00 -0.80 -0.04 0.20 0.00 0.00 0.00 179.25 178.61 1bka s GLY 204 N -2.30 1.82 -0.15 0.00 0.00 -1.07 -4.90 107.32 100.71 1bka s GLY 204 Ca -0.16 -1.61 0.14 0.00 0.00 0.00 0.00 44.72 43.09 1bka s GLY 204 CO 0.65 -1.24 0.07 1.22 0.00 0.00 0.00 173.10 173.79 1bka n ASP 205 N -2.38 1.19 -3.82 1.64 8.00 0.32 -4.63 116.55 116.87 1bka n ASP 205 Ca 0.11 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.48 1bka n ASP 205 Cb 0.60 0.92 -0.14 0.00 -0.02 0.00 0.00 41.12 42.49 1bka n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bka s VAL 206 N -2.41 -0.02 -0.07 2.53 0.11 -1.10 -4.54 120.40 114.90 1bka s VAL 206 Ca -0.08 0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.08 1bka s VAL 206 Cb 0.05 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.76 1bka s VAL 206 CO 0.64 0.02 -0.23 0.00 -3.33 0.00 0.00 175.10 172.19 1bka s ALA 207 N 0.35 2.22 -0.64 1.54 0.00 -0.49 -0.10 121.76 124.64 1bka s ALA 207 Ca -0.03 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.77 1bka s ALA 207 Cb -0.04 -0.76 0.16 0.00 0.00 0.00 0.00 23.12 22.48 1bka s ALA 207 CO -0.01 0.38 0.59 -0.06 0.00 0.00 0.00 175.76 176.66 1bka s PHE 208 N -0.02 3.45 0.00 0.00 0.08 -0.75 0.13 117.98 120.86 1bka s PHE 208 Ca -0.07 -1.58 0.00 0.00 0.12 0.00 0.00 56.93 55.40 1bka s PHE 208 Cb -0.15 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.51 1bka s PHE 208 CO 0.05 -1.01 0.00 0.44 -0.10 0.00 0.00 175.22 174.60 1bka n ILE 209 N 4.76 0.00 -2.25 0.64 -0.00 -0.51 -3.91 119.36 118.08 1bka n ILE 209 Ca -0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.44 1bka n ILE 209 Cb 0.43 0.00 0.04 0.00 -0.00 0.00 0.00 39.64 40.11 1bka n ILE 209 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bka s ARG 210 N -0.72 2.73 0.59 6.28 1.70 -1.26 -0.65 118.95 127.63 1bka s ARG 210 Ca 0.00 0.03 0.38 0.00 -0.47 0.00 0.00 55.73 55.67 1bka s ARG 210 Cb 0.00 -2.20 1.82 0.00 -0.57 0.00 0.00 34.95 34.00 1bka s ARG 210 CO 0.00 -0.89 2.14 1.05 -1.08 0.00 0.00 175.30 176.52 1bka h GLU 211 N -0.37 0.00 0.03 3.89 9.09 -1.67 -3.29 114.58 122.26 1bka h GLU 211 Ca -0.45 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.96 1bka h GLU 211 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 1bka h GLU 211 CO 0.61 0.00 -0.01 0.66 0.05 0.00 0.00 179.01 180.32 1bka h SER 212 N 0.00 -0.03 -0.38 3.06 4.64 -1.94 -3.40 113.55 115.49 1bka h SER 212 Ca 0.00 -0.64 0.12 0.00 -0.47 0.00 0.00 61.79 60.80 1bka h SER 212 Cb 0.27 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 1bka h SER 212 CO 0.00 0.65 0.04 0.41 -0.87 0.00 0.00 176.83 177.06 1bka n THR 213 N -4.78 -0.16 0.07 2.95 -1.04 -1.24 0.54 114.28 110.61 1bka n THR 213 Ca -0.09 0.83 -0.06 0.00 -2.04 0.00 0.00 64.05 62.69 1bka n THR 213 Cb 0.33 -1.24 -0.08 0.00 -1.82 0.00 0.00 70.33 67.52 1bka n THR 213 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1bka h VAL 214 N 0.00 1.68 0.00 12.58 3.04 -1.84 -1.76 116.25 129.94 1bka h VAL 214 Ca 0.25 -3.26 -0.11 0.00 -1.01 0.00 0.00 66.70 62.57 1bka h VAL 214 Cb 0.55 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.57 1bka h VAL 214 CO -0.35 0.93 -0.55 -0.26 -1.01 0.00 0.00 177.57 176.33 1bka h PHE 215 N 0.00 0.00 0.24 3.17 0.04 -0.18 -1.18 116.94 119.03 1bka h PHE 215 Ca -0.01 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.42 1bka h PHE 215 Cb 1.68 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.87 1bka h PHE 215 CO 0.00 0.52 -1.52 0.93 -0.60 0.00 0.00 178.31 177.64 1bka h GLU 216 N 0.00 0.51 0.00 1.51 5.08 -1.21 -3.35 114.58 117.12 1bka h GLU 216 Ca -0.01 -0.87 -0.12 0.00 -1.00 0.00 0.00 59.36 57.36 1bka h GLU 216 Cb 1.40 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1bka h GLU 216 CO 0.07 1.42 -1.25 -0.44 -1.00 0.00 0.00 179.01 177.80 1bka h ASP 217 N 0.14 0.00 -3.62 1.42 5.19 -1.44 -3.43 116.42 114.68 1bka h ASP 217 Ca -0.27 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.41 1bka h ASP 217 Cb 2.16 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 41.36 1bka h ASP 217 CO 0.26 0.41 -0.29 -0.76 -3.12 0.00 0.00 179.24 175.74 1bka s LEU 218 N -5.69 5.79 0.13 1.55 1.43 -0.45 -4.97 118.68 116.48 1bka s LEU 218 Ca -0.02 -2.32 -0.25 0.00 -1.03 0.00 0.00 54.13 50.51 1bka s LEU 218 Cb 0.09 -2.01 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 1bka s LEU 218 CO 0.80 -0.58 1.32 -1.54 0.23 0.00 0.00 176.35 176.58 1bka n SER 219 N 4.34 -0.84 -4.76 2.29 3.41 -1.26 -4.53 113.62 112.27 1bka n SER 219 Ca 0.01 1.51 -0.36 0.00 -0.26 0.00 0.00 58.87 59.77 1bka n SER 219 Cb 0.41 -0.23 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1bka n SER 219 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bka s ASP 220 N -5.17 6.30 0.18 4.04 2.15 -1.26 -4.97 116.67 117.93 1bka s ASP 220 Ca -0.10 0.35 -0.17 0.00 0.43 0.00 0.00 52.55 53.06 1bka s ASP 220 Cb 0.09 -2.11 0.12 0.00 -0.30 0.00 0.00 42.92 40.72 1bka s ASP 220 CO 0.49 0.21 1.65 -0.08 -0.17 0.00 0.00 175.17 177.27 1bka h GLU 221 N 6.29 -0.05 0.00 4.34 4.81 -1.99 0.66 114.58 128.64 1bka h GLU 221 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1bka h GLU 221 Cb 1.17 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1bka h GLU 221 CO 0.72 -0.03 -0.03 0.00 -0.73 0.00 0.00 179.01 178.93 1bka h ALA 222 N 1.34 1.07 -0.20 2.92 0.00 -1.96 0.14 119.26 122.57 1bka h ALA 222 Ca 0.22 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1bka h ALA 222 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bka h ALA 222 CO -0.49 0.04 -0.47 0.93 0.00 0.00 0.00 179.25 179.27 1bka h GLU 223 N 0.00 0.67 -0.62 0.00 5.08 -0.12 -2.75 114.58 116.84 1bka h GLU 223 Ca -0.00 -0.45 0.16 0.00 -1.00 0.00 0.00 59.36 58.07 1bka h GLU 223 Cb 0.28 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1bka h GLU 223 CO 0.00 1.07 0.44 0.00 -1.00 0.00 0.00 179.01 179.53 1bka h ARG 224 N 0.37 0.12 0.00 2.33 3.08 0.81 -1.17 114.38 119.93 1bka h ARG 224 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1bka h ARG 224 Cb 1.07 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1bka h ARG 224 CO 0.10 0.08 0.03 -0.25 -1.07 0.00 0.00 179.97 178.86 1bka n ASP 225 N -4.40 0.17 -0.04 7.04 9.92 -0.71 -1.64 116.55 126.89 1bka n ASP 225 Ca 0.12 0.56 0.14 0.00 -0.53 0.00 0.00 54.79 55.07 1bka n ASP 225 Cb 0.61 -0.58 0.53 0.00 -0.64 0.00 0.00 41.12 41.04 1bka n ASP 225 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bka n GLU 226 N -1.71 0.27 -4.29 -1.24 1.02 -0.44 -4.84 120.64 109.41 1bka n GLU 226 Ca -0.00 -0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 56.81 1bka n GLU 226 Cb 0.04 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1bka n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1bka s TYR 227 N -2.79 2.58 0.21 -0.32 2.02 -0.65 0.13 117.35 118.53 1bka s TYR 227 Ca 0.19 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.42 1bka s TYR 227 Cb 0.19 -1.51 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1bka s TYR 227 CO 0.55 0.46 0.39 -0.85 -1.57 0.00 0.00 175.55 174.52 1bka n GLU 228 N -0.99 0.56 -4.61 -0.62 0.28 0.01 -4.53 120.64 110.74 1bka n GLU 228 Ca -0.04 -1.31 -0.28 0.00 -0.16 0.00 0.00 57.16 55.38 1bka n GLU 228 Cb 0.62 1.51 -0.14 0.00 1.43 0.00 0.00 31.44 34.86 1bka n GLU 228 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bka s LEU 229 N 0.00 2.23 -0.47 -1.84 1.43 0.60 -2.78 118.68 117.85 1bka s LEU 229 Ca 0.11 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.33 1bka s LEU 229 Cb -0.02 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.10 1bka s LEU 229 CO 0.08 0.18 0.88 -0.76 0.23 0.00 0.00 176.35 176.96 1bka s LEU 230 N -1.54 4.11 0.65 1.79 1.43 -0.34 -2.45 118.68 122.32 1bka s LEU 230 Ca 0.10 -0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1bka s LEU 230 Cb -0.10 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.07 1bka s LEU 230 CO 0.03 -1.02 0.98 0.00 0.23 0.00 0.00 176.35 176.57 1bka n PRO 232 N -2.78 0.06 -1.10 0.00 -0.02 -1.26 -1.93 135.00 127.97 1bka n PRO 232 Ca 0.06 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.56 1bka n PRO 232 Cb 0.58 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.79 1bka n PRO 232 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1bka n ASP 233 N -1.45 4.03 -3.86 2.55 5.75 -1.26 -4.91 116.55 117.41 1bka n ASP 233 Ca 0.05 -3.48 -0.26 0.00 -0.01 0.00 0.00 54.79 51.10 1bka n ASP 233 Cb 0.20 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 1bka n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1bka n ASN 234 N -0.78 -1.44 -3.92 -1.12 3.02 -0.81 -4.97 115.26 105.25 1bka n ASN 234 Ca 0.50 -0.98 -0.10 0.00 -0.03 0.00 0.00 54.58 53.96 1bka n ASN 234 Cb 1.50 -3.26 -0.10 0.00 -0.61 0.00 0.00 39.78 37.30 1bka n ASN 234 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bka s THR 235 N -3.82 0.09 -0.21 3.41 -4.23 -1.25 -4.92 115.64 104.72 1bka s THR 235 Ca 0.10 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 1bka s THR 235 Cb -0.04 -0.34 -0.03 0.00 1.34 0.00 0.00 72.50 73.43 1bka s THR 235 CO 0.87 -0.42 0.03 -0.13 -0.54 0.00 0.00 174.62 174.43 1bka s ARG 236 N -1.37 3.66 0.15 3.99 0.52 -1.26 0.31 118.95 124.95 1bka s ARG 236 Ca -0.15 -0.49 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1bka s ARG 236 Cb -0.08 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1bka s ARG 236 CO 0.00 -0.03 -0.12 0.15 0.02 0.00 0.00 175.30 175.32 1bka s LYS 237 N 1.13 1.11 0.63 3.54 3.01 -1.03 -4.96 119.74 123.18 1bka s LYS 237 Ca 0.03 -1.41 -0.17 0.00 -1.01 0.00 0.00 55.97 53.41 1bka s LYS 237 Cb -0.14 -0.83 -0.01 0.00 -1.01 0.00 0.00 37.83 35.83 1bka s LYS 237 CO 0.02 0.13 1.18 -2.14 0.51 0.00 0.00 175.35 175.06 1bka s PRO 238 N -3.34 2.77 0.41 -1.68 0.02 -1.26 -0.29 135.00 131.62 1bka s PRO 238 Ca 0.15 1.71 0.13 0.00 0.02 0.00 0.00 61.00 63.01 1bka s PRO 238 Cb -0.01 -1.92 0.70 0.00 0.02 0.00 0.00 34.50 33.29 1bka s PRO 238 CO 0.03 -1.34 1.29 0.28 -0.33 0.00 0.00 177.00 176.93 1bka h VAL 239 N 0.47 0.00 0.00 3.83 2.07 -1.86 0.44 116.25 121.21 1bka h VAL 239 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1bka h VAL 239 Cb 1.28 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1bka h VAL 239 CO 0.54 0.00 -1.22 -0.90 0.02 0.00 0.00 177.57 176.00 1bka n ASP 240 N -2.18 0.82 -0.65 0.57 5.68 -1.26 -4.20 116.55 115.33 1bka n ASP 240 Ca -0.01 -0.57 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 1bka n ASP 240 Cb 0.45 1.32 0.00 0.00 -1.14 0.00 0.00 41.12 41.75 1bka n ASP 240 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1bka n LYS 241 N -1.70 0.99 -0.32 0.11 4.76 0.15 -4.25 118.16 117.89 1bka n LYS 241 Ca 0.01 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.44 1bka n LYS 241 Cb 0.36 -1.35 0.05 0.00 -1.84 0.00 0.00 35.03 32.25 1bka n LYS 241 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1bka h PHE 242 N 0.02 -0.91 -1.05 2.13 -5.15 -1.74 1.88 116.94 112.11 1bka h PHE 242 Ca 0.00 0.09 0.28 0.00 -0.20 0.00 0.00 57.97 58.15 1bka h PHE 242 Cb 0.64 0.53 -0.07 0.00 0.22 0.00 0.00 35.95 37.27 1bka h PHE 242 CO 0.00 -0.39 0.72 0.87 -2.00 0.00 0.00 178.31 177.50 1bka h LYS 243 N -0.04 0.21 0.00 6.09 1.79 -1.95 0.45 116.57 123.11 1bka h LYS 243 Ca 0.34 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1bka h LYS 243 Cb 0.60 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 1bka h LYS 243 CO -0.89 0.14 -1.48 -0.25 -1.08 0.00 0.00 179.45 175.88 1bka n ASP 244 N -4.43 0.41 -3.40 0.86 8.00 0.23 -4.79 116.55 113.42 1bka n ASP 244 Ca 0.24 -0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.42 1bka n ASP 244 Cb 0.99 1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 43.33 1bka n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bka s HIS 246 N 1.87 0.61 -0.03 0.00 -3.43 -1.15 -4.39 115.29 108.77 1bka s HIS 246 Ca 0.13 -1.03 -0.00 0.00 -0.80 0.00 0.00 55.06 53.36 1bka s HIS 246 Cb -0.16 -0.33 -0.26 0.00 -1.43 0.00 0.00 32.58 30.41 1bka s HIS 246 CO -0.19 -0.53 0.72 -0.07 -2.00 0.00 0.00 174.74 172.67 1bka h LEU 247 N 2.85 0.30 -7.00 5.38 4.07 -0.01 -3.40 115.31 117.50 1bka h LEU 247 Ca -0.34 -0.50 0.05 0.00 0.08 0.00 0.00 57.88 57.16 1bka h LEU 247 Cb 1.19 -0.10 -0.15 0.00 1.08 0.00 0.00 40.66 42.68 1bka h LEU 247 CO 0.58 1.43 0.38 0.00 -1.08 0.00 0.00 178.44 179.75 1bka s ALA 248 N -2.60 -1.76 -0.23 1.53 0.00 -1.06 -4.99 121.76 112.65 1bka s ALA 248 Ca -0.11 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 1bka s ALA 248 Cb 0.07 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1bka s ALA 248 CO 0.83 -0.64 -0.07 0.50 0.00 0.00 0.00 175.76 176.38 1bka s ARG 249 N -2.91 3.09 0.19 0.00 3.52 -1.26 0.22 118.95 121.79 1bka s ARG 249 Ca 0.01 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 1bka s ARG 249 Cb -0.01 -2.95 -0.05 0.00 -1.56 0.00 0.00 34.95 30.38 1bka s ARG 249 CO -0.07 -0.29 -0.05 0.14 -0.81 0.00 0.00 175.30 174.21 1bka s VAL 250 N 1.39 1.10 0.08 7.11 -7.23 0.38 -4.94 120.40 118.29 1bka s VAL 250 Ca 0.03 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.85 1bka s VAL 250 Cb -0.15 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 1bka s VAL 250 CO -0.05 -0.55 1.88 -2.16 -0.31 0.00 0.00 175.10 173.92 1bka s PRO 251 N -3.80 4.14 1.03 4.82 0.04 -1.26 0.13 135.00 140.10 1bka s PRO 251 Ca 0.22 2.59 -0.13 0.00 0.04 0.00 0.00 61.00 63.72 1bka s PRO 251 Cb 0.04 -3.86 0.15 0.00 0.04 0.00 0.00 34.50 30.87 1bka s PRO 251 CO 0.04 -0.89 0.68 -1.13 0.04 0.00 0.00 177.00 175.75 1bka n SER 252 N 6.54 -1.39 -4.74 6.66 3.41 -1.00 -4.69 113.62 118.42 1bka n SER 252 Ca 0.19 0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 58.62 1bka n SER 252 Cb 0.40 -1.25 0.11 0.00 -0.26 0.00 0.00 64.21 63.21 1bka n SER 252 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1bka s HIS 253 N -2.43 2.27 -0.00 7.33 0.09 -1.26 -4.76 115.29 116.52 1bka s HIS 253 Ca 0.62 1.63 -0.01 0.00 -0.00 0.00 0.00 55.06 57.30 1bka s HIS 253 Cb -0.21 -3.19 -0.00 0.00 -0.00 0.00 0.00 32.58 29.18 1bka s HIS 253 CO 0.64 -2.14 0.02 0.00 -0.00 0.00 0.00 174.74 173.26 1bka s ALA 254 N -2.66 -0.04 -0.32 -1.40 0.00 -1.04 0.15 121.76 116.45 1bka s ALA 254 Ca 0.65 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1bka s ALA 254 Cb -0.20 0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1bka s ALA 254 CO 0.53 -0.08 1.25 0.08 0.00 0.00 0.00 175.76 177.55 1bka s VAL 255 N -0.58 4.20 0.48 0.00 1.01 -0.06 -0.72 120.40 124.74 1bka s VAL 255 Ca -0.06 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.34 1bka s VAL 255 Cb -0.04 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1bka s VAL 255 CO -0.00 -0.52 0.66 0.68 0.00 0.00 0.00 175.10 175.92 1bka s VAL 256 N 4.28 2.77 0.06 2.92 -7.23 0.17 -0.69 120.40 122.68 1bka s VAL 256 Ca 0.54 -0.92 -0.27 0.00 -1.81 0.00 0.00 61.98 59.52 1bka s VAL 256 Cb -0.15 -2.85 0.09 0.00 0.56 0.00 0.00 36.38 34.03 1bka s VAL 256 CO 0.23 0.00 0.86 0.00 -0.31 0.00 0.00 175.10 175.87 1bka s ALA 257 N -2.51 -1.74 0.49 1.32 0.00 0.19 -3.26 121.76 116.24 1bka s ALA 257 Ca 0.57 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 1bka s ALA 257 Cb -0.09 0.54 -0.09 0.00 0.00 0.00 0.00 23.12 23.48 1bka s ALA 257 CO 0.35 -0.79 0.91 0.54 0.00 0.00 0.00 175.76 176.77 1bka n ARG 258 N -0.32 1.08 0.10 0.00 1.74 -1.26 -0.81 116.66 117.19 1bka n ARG 258 Ca -0.09 0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 57.27 1bka n ARG 258 Cb 0.62 -2.00 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 1bka n ARG 258 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1bka h SER 259 N 1.05 -0.25 -3.74 0.55 0.02 -1.89 -3.32 113.55 105.96 1bka h SER 259 Ca -0.45 -0.27 -0.63 0.00 -0.84 0.00 0.00 61.79 59.59 1bka h SER 259 Cb 1.36 0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.81 1bka h SER 259 CO 0.54 0.23 -0.27 -0.69 -1.14 0.00 0.00 176.83 175.49 1bka s VAL 260 N -3.85 5.19 -1.11 2.27 1.01 -1.26 -4.25 120.40 118.40 1bka s VAL 260 Ca -0.13 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1bka s VAL 260 Cb 0.01 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1bka s VAL 260 CO 0.49 0.17 0.94 0.59 0.00 0.00 0.00 175.10 177.28 1bka n ASN 261 N 5.30 -2.74 0.09 3.32 5.03 -1.26 -4.95 115.26 120.04 1bka n ASN 261 Ca -0.09 -0.60 -0.13 0.00 0.87 0.00 0.00 54.58 54.63 1bka n ASN 261 Cb 0.51 -4.90 -0.08 0.00 -1.02 0.00 0.00 39.78 34.28 1bka n ASN 261 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1bka h GLY 262 N -1.68 -0.26 -0.06 7.41 0.00 -1.74 -3.45 103.07 103.30 1bka h GLY 262 Ca -0.56 0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1bka h GLY 262 CO 0.46 -0.09 0.00 0.28 0.00 0.00 0.00 176.54 177.19 1bka n LYS 263 N -5.03 0.00 -0.36 4.80 5.02 -1.26 -4.52 118.16 116.81 1bka n LYS 263 Ca -0.09 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.27 1bka n LYS 263 Cb 0.24 -2.23 0.23 0.00 -0.02 0.00 0.00 35.03 33.25 1bka n LYS 263 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1bka h GLU 264 N 0.00 0.96 0.02 1.97 5.08 -1.91 -1.71 114.58 119.00 1bka h GLU 264 Ca 0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1bka h GLU 264 Cb 0.65 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1bka h GLU 264 CO 0.00 0.64 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.75 1bka h ASP 265 N 0.99 -1.39 0.40 1.42 3.32 -1.98 0.49 116.42 119.67 1bka h ASP 265 Ca 0.48 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.69 1bka h ASP 265 Cb 0.45 0.54 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1bka h ASP 265 CO -0.26 -0.49 -0.28 0.00 -1.72 0.00 0.00 179.24 176.49 1bka h ALA 266 N -0.19 -0.67 -0.07 3.45 0.00 -1.92 0.95 119.26 120.81 1bka h ALA 266 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1bka h ALA 266 Cb 0.69 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1bka h ALA 266 CO -0.32 -0.89 -0.34 0.82 0.00 0.00 0.00 179.25 178.51 1bka h ILE 267 N -0.67 0.26 -0.27 0.00 2.04 -1.04 1.45 117.51 119.27 1bka h ILE 267 Ca -0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1bka h ILE 267 Cb 0.57 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1bka h ILE 267 CO 0.02 0.00 -0.19 -0.25 0.00 0.00 0.00 178.15 177.73 1bka h TRP 268 N -0.45 -0.48 -0.48 1.37 -0.00 0.24 0.14 115.95 116.28 1bka h TRP 268 Ca 0.08 0.04 0.02 0.00 -0.00 0.00 0.00 58.89 59.02 1bka h TRP 268 Cb 0.57 0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 29.96 1bka h TRP 268 CO -0.40 -0.26 0.29 -0.97 -0.00 0.00 0.00 178.44 177.10 1bka h ASN 269 N -0.17 0.48 -0.74 2.65 -1.24 0.25 0.10 115.58 116.92 1bka h ASN 269 Ca 0.15 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 1bka h ASN 269 Cb 0.39 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.31 1bka h ASN 269 CO -0.37 0.34 0.42 0.25 -1.29 0.00 0.00 177.43 176.78 1bka h LEU 270 N 0.59 0.90 -0.21 0.34 5.85 0.28 -2.83 115.31 120.24 1bka h LEU 270 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1bka h LEU 270 Cb 0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1bka h LEU 270 CO -0.08 0.72 0.06 -0.07 -0.34 0.00 0.00 178.44 178.73 1bka h LEU 271 N 1.01 0.30 -0.27 2.25 3.38 -0.33 0.04 115.31 121.69 1bka h LEU 271 Ca 0.26 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1bka h LEU 271 Cb 0.00 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 1bka h LEU 271 CO -0.05 0.44 -0.51 -0.09 0.09 0.00 0.00 178.44 178.33 1bka h ARG 272 N 0.16 -0.45 0.48 1.13 2.43 -0.72 0.49 114.38 117.90 1bka h ARG 272 Ca 0.07 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1bka h ARG 272 Cb 0.25 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1bka h ARG 272 CO -0.00 -0.30 -0.30 1.96 -1.51 0.00 0.00 179.97 179.83 1bka h GLN 273 N -0.46 -0.71 -0.31 0.20 1.08 -1.50 -1.28 115.11 112.12 1bka h GLN 273 Ca 0.07 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1bka h GLN 273 Cb 0.63 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 1bka h GLN 273 CO -0.51 -0.48 0.21 0.00 -0.95 0.00 0.00 178.83 177.10 1bka h ALA 274 N -0.27 1.87 0.51 3.87 0.00 -0.92 0.16 119.26 124.47 1bka h ALA 274 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bka h ALA 274 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1bka h ALA 274 CO 0.06 0.10 -0.24 0.37 0.00 0.00 0.00 179.25 179.53 1bka h GLN 275 N 0.35 -0.66 -0.74 0.00 4.15 0.64 -1.09 115.11 117.76 1bka h GLN 275 Ca 0.12 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1bka h GLN 275 Cb 0.07 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1bka h GLN 275 CO -0.03 -0.40 0.30 1.49 -1.93 0.00 0.00 178.83 178.26 1bka h GLU 276 N -0.77 1.11 0.07 1.69 4.81 -0.72 0.64 114.58 121.41 1bka h GLU 276 Ca -0.07 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1bka h GLU 276 Cb 0.56 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1bka h GLU 276 CO 0.11 0.91 -0.03 0.87 -0.73 0.00 0.00 179.01 180.14 1bka h LYS 277 N 1.07 -0.09 -0.34 1.92 1.57 -0.69 -3.40 116.57 116.61 1bka h LYS 277 Ca 0.25 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1bka h LYS 277 Cb 0.21 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1bka h LYS 277 CO -0.02 0.25 0.00 1.19 -0.57 0.00 0.00 179.45 180.29 1bka n PHE 278 N -4.80 0.44 0.00 -1.35 3.72 -0.42 -4.28 117.46 110.76 1bka n PHE 278 Ca -0.04 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 1bka n PHE 278 Cb 0.19 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1bka n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bka n GLY 279 N 0.98 -2.11 3.49 1.37 0.00 0.22 -2.43 105.19 106.71 1bka n GLY 279 Ca 0.14 -0.70 -0.48 0.00 0.00 0.00 0.00 46.02 44.99 1bka n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1bka n LYS 280 N -1.06 1.30 -3.86 1.61 4.81 -1.26 -2.21 118.16 117.49 1bka n LYS 280 Ca 0.00 0.34 -0.30 0.00 -0.87 0.00 0.00 58.31 57.48 1bka n LYS 280 Cb 0.00 -2.69 0.01 0.00 0.02 0.00 0.00 35.03 32.37 1bka n LYS 280 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1bka n ASP 281 N 10.57 -4.71 -0.21 3.14 2.03 -1.26 -4.94 116.55 121.16 1bka n ASP 281 Ca 0.38 -1.04 0.07 0.00 0.52 0.00 0.00 54.79 54.72 1bka n ASP 281 Cb 0.30 -1.73 0.10 0.00 -0.72 0.00 0.00 41.12 39.07 1bka n ASP 281 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1bka n LYS 282 N -3.26 0.94 0.00 -0.67 5.02 -0.94 -5.03 118.16 114.22 1bka n LYS 282 Ca -0.26 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 53.85 1bka n LYS 282 Cb 0.66 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1bka n LYS 282 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bka n SER 283 N -1.03 0.00 0.19 4.39 2.88 -1.26 -4.57 113.62 114.22 1bka n SER 283 Ca 0.12 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.80 1bka n SER 283 Cb 0.66 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.79 1bka n SER 283 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1bka h PRO 284 N 0.00 0.00 0.00 -1.46 0.10 -1.95 0.43 132.00 129.11 1bka h PRO 284 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 1bka h PRO 284 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 1bka h PRO 284 CO 0.00 0.00 0.00 1.17 0.10 0.00 0.00 178.00 179.27 1bka n LYS 285 N -2.47 0.13 0.00 1.05 4.81 -1.26 -4.71 118.16 115.71 1bka n LYS 285 Ca -0.00 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1bka n LYS 285 Cb 0.13 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1bka n LYS 285 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1bka n PHE 286 N -2.15 0.00 -4.39 5.64 7.35 0.15 -5.03 117.46 119.03 1bka n PHE 286 Ca -0.00 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.40 1bka n PHE 286 Cb 0.07 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.74 1bka n PHE 286 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1bka s GLN 287 N -1.14 2.14 0.13 -4.13 -0.21 -1.26 -4.65 119.66 110.54 1bka s GLN 287 Ca 0.00 -0.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.81 1bka s GLN 287 Cb 0.00 -1.85 -0.09 0.00 1.00 0.00 0.00 33.01 32.07 1bka s GLN 287 CO 0.00 -0.09 1.31 1.25 -2.12 0.00 0.00 175.29 175.64 1bka h LEU 288 N 7.50 0.53 -4.50 2.90 5.85 -1.78 -3.33 115.31 122.48 1bka h LEU 288 Ca -0.32 -0.42 -0.65 0.00 0.84 0.00 0.00 57.88 57.34 1bka h LEU 288 Cb 1.17 -0.16 -0.36 0.00 0.37 0.00 0.00 40.66 41.67 1bka h LEU 288 CO 0.49 1.22 -0.05 0.49 -0.34 0.00 0.00 178.44 180.24 1bka n PHE 289 N -3.75 3.17 -3.73 1.25 3.72 -1.26 -4.66 117.46 112.20 1bka n PHE 289 Ca -0.07 -2.74 -0.14 0.00 -0.05 0.00 0.00 57.45 54.46 1bka n PHE 289 Cb 0.83 -0.58 -0.09 0.00 -0.94 0.00 0.00 39.48 38.70 1bka n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bka s GLY 290 N -2.65 -0.25 0.07 1.37 0.00 -1.25 -1.58 107.32 103.02 1bka s GLY 290 Ca 0.51 0.75 0.05 0.00 0.00 0.00 0.00 44.72 46.03 1bka s GLY 290 CO -0.21 0.55 -0.15 -0.56 0.00 0.00 0.00 173.10 172.73 1bka s SER 291 N -0.69 1.74 1.11 1.64 0.01 -1.26 -4.83 113.70 111.43 1bka s SER 291 Ca -0.08 -0.59 -0.19 0.00 1.31 0.00 0.00 55.95 56.41 1bka s SER 291 Cb -0.04 -0.07 0.11 0.00 0.21 0.00 0.00 66.02 66.24 1bka s SER 291 CO 0.03 -0.04 0.01 -0.81 0.41 0.00 0.00 173.24 172.84 1bka n PRO 292 N 1.40 -1.77 -2.40 12.44 -0.04 -1.26 -4.80 135.00 138.56 1bka n PRO 292 Ca -0.20 -0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 62.33 1bka n PRO 292 Cb 0.54 -1.65 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1bka n PRO 292 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bka s SER 293 N -1.86 7.02 0.00 3.54 0.15 -1.26 -1.95 113.70 119.34 1bka s SER 293 Ca 0.53 1.92 0.00 0.00 0.70 0.00 0.00 55.95 59.10 1bka s SER 293 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1bka s SER 293 CO 0.61 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1bka n GLY 294 N 3.38 2.38 3.95 9.45 0.00 -1.26 -5.06 105.19 118.04 1bka n GLY 294 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1bka n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bka s GLN 295 N -0.12 3.31 -0.17 1.61 -1.52 -0.82 -5.11 119.66 116.83 1bka s GLN 295 Ca 0.00 -0.49 -0.15 0.00 -1.95 0.00 0.00 55.36 52.77 1bka s GLN 295 Cb 0.00 -2.66 0.05 0.00 -0.22 0.00 0.00 33.01 30.18 1bka s GLN 295 CO 0.00 0.02 0.45 0.15 -0.25 0.00 0.00 175.29 175.67 1bka s LYS 296 N -4.35 0.51 -1.15 2.91 -0.14 -1.26 -4.66 119.74 111.60 1bka s LYS 296 Ca 0.43 0.67 -0.22 0.00 -1.36 0.00 0.00 55.97 55.49 1bka s LYS 296 Cb -0.10 0.21 -0.00 0.00 -1.68 0.00 0.00 37.83 36.26 1bka s LYS 296 CO 0.36 -0.08 0.78 -0.25 -0.76 0.00 0.00 175.35 175.39 1bka n ASP 297 N 3.10 -5.12 -4.72 2.83 8.00 -1.26 -4.93 116.55 114.45 1bka n ASP 297 Ca -0.15 -1.04 -0.41 0.00 0.71 0.00 0.00 54.79 53.90 1bka n ASP 297 Cb 0.57 -3.25 -0.04 0.00 -0.02 0.00 0.00 41.12 38.38 1bka n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bka s LEU 298 N -6.56 4.40 0.00 0.64 2.01 -1.26 -4.18 118.68 113.72 1bka s LEU 298 Ca 0.47 1.55 0.00 0.00 0.01 0.00 0.00 54.13 56.16 1bka s LEU 298 Cb -0.17 -3.42 0.00 0.00 0.01 0.00 0.00 46.19 42.61 1bka s LEU 298 CO 0.87 -0.15 0.00 0.18 1.01 0.00 0.00 176.35 178.26 1bka n LEU 299 N 3.48 0.00 -4.23 1.79 4.77 -1.26 -4.48 117.00 117.07 1bka n LEU 299 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1bka n LEU 299 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1bka n LEU 299 CO 0.50 0.00 -0.35 -0.36 -1.33 0.00 0.00 177.39 175.85 1bka s PHE 300 N 0.00 1.16 -0.41 -1.77 0.08 -1.26 -4.58 117.98 111.21 1bka s PHE 300 Ca 0.00 -0.98 -0.28 0.00 0.12 0.00 0.00 56.93 55.79 1bka s PHE 300 Cb 0.00 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1bka s PHE 300 CO 0.00 -0.17 1.70 0.21 -0.10 0.00 0.00 175.22 176.86 1bka s LYS 301 N -3.89 3.27 0.25 0.44 2.36 -1.26 -4.45 119.74 116.46 1bka s LYS 301 Ca 0.21 1.13 -0.29 0.00 -2.55 0.00 0.00 55.97 54.47 1bka s LYS 301 Cb 0.06 -4.19 -0.15 0.00 -1.05 0.00 0.00 37.83 32.50 1bka s LYS 301 CO 0.02 -1.94 0.94 -0.25 1.55 0.00 0.00 175.35 175.67 1bka n ASP 302 N 10.33 0.80 -1.53 1.43 8.00 -1.26 -2.36 116.55 131.95 1bka n ASP 302 Ca 0.20 1.16 -0.14 0.00 0.71 0.00 0.00 54.79 56.73 1bka n ASP 302 Cb 0.48 -1.21 -0.01 0.00 -0.02 0.00 0.00 41.12 40.36 1bka n ASP 302 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bka n SER 303 N 1.49 -4.26 -4.88 -2.24 7.64 -0.62 -5.01 113.62 105.75 1bka n SER 303 Ca 0.12 0.01 -0.30 0.00 1.01 0.00 0.00 58.87 59.71 1bka n SER 303 Cb 0.29 -3.40 0.05 0.00 -1.01 0.00 0.00 64.21 60.14 1bka n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bka s ALA 304 N -2.67 2.89 -0.46 -0.43 0.00 -1.00 -4.68 121.76 115.41 1bka s ALA 304 Ca 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.66 1bka s ALA 304 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1bka s ALA 304 CO 0.00 -1.15 0.44 0.44 0.00 0.00 0.00 175.76 175.49 1bka n ILE 305 N -3.01 0.00 -3.65 0.00 -5.35 0.20 -4.84 119.36 102.71 1bka n ILE 305 Ca 0.07 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1bka n ILE 305 Cb 0.57 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 1bka n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bka n GLY 306 N 0.73 -1.26 3.51 3.28 0.00 -1.22 -4.59 105.19 105.65 1bka n GLY 306 Ca 0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 1bka n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bka s PHE 307 N -3.00 2.42 -0.09 1.61 0.08 -1.26 0.14 117.98 117.87 1bka s PHE 307 Ca 0.00 -0.30 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 1bka s PHE 307 Cb 0.00 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1bka s PHE 307 CO 0.00 0.63 0.21 0.45 -0.10 0.00 0.00 175.22 176.41 1bka s SER 308 N -3.27 -0.13 0.48 1.36 0.15 -1.01 -4.84 113.70 106.44 1bka s SER 308 Ca 0.28 0.45 -0.22 0.00 0.70 0.00 0.00 55.95 57.15 1bka s SER 308 Cb -0.06 0.35 -0.07 0.00 -1.71 0.00 0.00 66.02 64.52 1bka s SER 308 CO 0.15 -0.17 1.16 -0.13 1.20 0.00 0.00 173.24 175.45 1bka s ARG 309 N 1.35 3.65 -0.33 5.44 0.52 -1.26 0.69 118.95 129.02 1bka s ARG 309 Ca -0.08 1.74 -0.10 0.00 -0.52 0.00 0.00 55.73 56.77 1bka s ARG 309 Cb -0.11 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.06 1bka s ARG 309 CO -0.08 -0.63 0.16 0.08 0.02 0.00 0.00 175.30 174.86 1bka s VAL 310 N -1.60 4.57 0.04 3.52 1.01 -0.52 -4.84 120.40 122.58 1bka s VAL 310 Ca 0.66 -0.55 -0.38 0.00 0.00 0.00 0.00 61.98 61.71 1bka s VAL 310 Cb -0.27 -3.39 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 1bka s VAL 310 CO 0.33 -0.02 1.32 -2.65 0.00 0.00 0.00 175.10 174.08 1bka n PRO 311 N 4.98 0.91 0.30 2.72 -0.02 -1.26 -4.82 135.00 137.80 1bka n PRO 311 Ca -0.13 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1bka n PRO 311 Cb 0.48 -1.94 0.59 0.00 -0.02 0.00 0.00 33.50 32.61 1bka n PRO 311 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1bka h PRO 312 N 4.43 0.00 0.00 0.52 0.13 -1.96 0.86 132.00 135.98 1bka h PRO 312 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1bka h PRO 312 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1bka h PRO 312 CO 0.77 0.00 -0.02 -0.09 -0.23 0.00 0.00 178.00 178.43 1bka h ARG 313 N 0.00 0.00 -6.36 0.86 9.65 -1.88 -3.44 114.38 113.21 1bka h ARG 313 Ca 0.03 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.37 1bka h ARG 313 Cb 1.12 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 1bka h ARG 313 CO -0.00 0.02 0.32 0.42 2.80 0.00 0.00 179.97 183.53 1bka s ILE 314 N -3.78 4.86 0.48 1.20 1.01 0.29 -5.04 121.20 120.21 1bka s ILE 314 Ca -0.00 1.95 0.05 0.00 0.00 0.00 0.00 60.65 62.64 1bka s ILE 314 Cb 0.10 -4.27 0.05 0.00 0.01 0.00 0.00 42.46 38.35 1bka s ILE 314 CO 0.53 0.20 0.41 -0.90 0.00 0.00 0.00 174.94 175.18 1bka n ASP 315 N 3.72 2.41 -0.01 3.58 5.68 -1.26 -4.71 116.55 125.97 1bka n ASP 315 Ca 0.04 -2.59 -0.09 0.00 -0.50 0.00 0.00 54.79 51.65 1bka n ASP 315 Cb 0.51 -0.09 -0.03 0.00 -1.14 0.00 0.00 41.12 40.36 1bka n ASP 315 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1bka h SER 316 N 0.49 -0.26 -0.54 -1.12 4.64 -1.90 0.95 113.55 115.80 1bka h SER 316 Ca -0.29 0.06 0.09 0.00 -0.47 0.00 0.00 61.79 61.18 1bka h SER 316 Cb 1.10 0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 1bka h SER 316 CO 0.45 -0.11 0.16 1.23 -0.87 0.00 0.00 176.83 177.69 1bka h GLY 317 N -0.07 0.72 1.69 -0.77 0.00 -1.96 0.42 103.07 103.09 1bka h GLY 317 Ca 0.08 -0.07 -0.26 0.00 0.00 0.00 0.00 47.33 47.08 1bka h GLY 317 CO -0.19 -0.04 -1.20 1.41 0.00 0.00 0.00 176.54 176.52 1bka h LEU 318 N 0.32 0.36 -0.43 3.11 3.38 -1.89 -2.91 115.31 117.24 1bka h LEU 318 Ca 0.27 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1bka h LEU 318 Cb 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1bka h LEU 318 CO -0.31 1.30 0.19 0.22 0.09 0.00 0.00 178.44 179.93 1bka h TYR 319 N 0.07 0.35 -0.47 1.13 3.20 0.16 -2.85 116.97 118.56 1bka h TYR 319 Ca -0.11 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1bka h TYR 319 Cb 1.93 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 40.09 1bka h TYR 319 CO 0.05 0.16 0.16 -0.07 -1.64 0.00 0.00 178.16 176.82 1bka h LEU 320 N 0.39 0.62 0.00 2.82 3.38 -0.21 -3.47 115.31 118.84 1bka h LEU 320 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bka h LEU 320 Cb 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1bka h LEU 320 CO -0.16 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1bka n GLY 321 N -1.06 1.14 0.30 0.83 0.00 -1.08 -3.98 105.19 101.34 1bka n GLY 321 Ca 0.03 -1.48 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1bka n GLY 321 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bka h SER 322 N 0.00 -0.89 -0.00 1.61 4.64 -1.80 0.36 113.55 117.46 1bka h SER 322 Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1bka h SER 322 Cb 0.00 0.45 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bka h SER 322 CO 0.00 -0.28 -0.04 1.23 -0.87 0.00 0.00 176.83 176.87 1bka h GLY 323 N -0.18 -1.45 1.31 -0.77 0.00 -1.88 -1.71 103.07 98.39 1bka h GLY 323 Ca 0.20 0.63 -0.10 0.00 0.00 0.00 0.00 47.33 48.06 1bka h GLY 323 CO -0.53 -0.54 -0.15 -1.82 0.00 0.00 0.00 176.54 173.50 1bka h TYR 324 N -0.04 0.90 -0.08 5.60 3.20 -1.71 -2.20 116.97 122.64 1bka h TYR 324 Ca 0.00 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.73 1bka h TYR 324 Cb 0.05 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 1bka h TYR 324 CO -0.41 0.90 -0.20 0.35 -1.64 0.00 0.00 178.16 177.17 1bka h PHE 325 N 0.72 -0.51 0.00 -3.82 3.57 -0.29 -1.82 116.94 114.79 1bka h PHE 325 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bka h PHE 325 Cb 0.65 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1bka h PHE 325 CO 0.03 -0.28 0.00 1.79 -2.23 0.00 0.00 178.31 177.63 1bka h THR 326 N -0.28 0.00 -0.04 4.41 1.35 -1.21 -2.51 112.91 114.63 1bka h THR 326 Ca 0.08 -0.58 -0.11 0.00 -0.55 0.00 0.00 66.41 65.25 1bka h THR 326 Cb 0.39 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 1bka h THR 326 CO -0.24 0.00 -0.47 0.00 -0.25 0.00 0.00 175.52 174.56 1bka h ALA 327 N 2.07 1.15 -0.04 6.62 0.00 -1.02 -0.66 119.26 127.38 1bka h ALA 327 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1bka h ALA 327 Cb 0.62 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1bka h ALA 327 CO 0.00 0.61 -0.43 0.82 0.00 0.00 0.00 179.25 180.25 1bka h ILE 328 N 0.07 1.44 -0.74 0.00 2.04 -0.88 -3.24 117.51 116.20 1bka h ILE 328 Ca 0.00 -1.90 0.17 0.00 1.00 0.00 0.00 64.86 64.13 1bka h ILE 328 Cb 0.86 2.47 -0.13 0.00 -0.74 0.00 0.00 36.82 39.29 1bka h ILE 328 CO 0.07 0.55 0.02 1.56 0.00 0.00 0.00 178.15 180.34 1bka h GLN 329 N -0.15 0.11 0.00 2.37 4.20 -1.43 0.22 115.11 120.42 1bka h GLN 329 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1bka h GLN 329 Cb 1.12 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1bka h GLN 329 CO 0.09 0.07 0.00 0.09 -0.67 0.00 0.00 178.83 178.41 1bka n ASN 330 N -5.33 0.10 0.00 1.46 5.03 -0.28 -1.50 115.26 114.74 1bka n ASN 330 Ca 0.13 0.54 0.11 0.00 0.87 0.00 0.00 54.58 56.23 1bka n ASN 330 Cb 0.46 -0.55 0.66 0.00 -1.02 0.00 0.00 39.78 39.33 1bka n ASN 330 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1bka n LEU 331 N -1.62 0.00 -1.33 3.41 4.77 0.77 -2.98 117.00 120.01 1bka n LEU 331 Ca 0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1bka n LEU 331 Cb 0.05 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1bka n LEU 331 CO 0.05 0.00 0.23 0.54 -1.33 0.00 0.00 177.39 176.88 1bka n ARG 332 N -0.92 1.89 -3.77 3.23 1.74 -0.56 -4.71 116.66 113.56 1bka n ARG 332 Ca 0.17 -3.34 -0.13 0.00 -0.77 0.00 0.00 57.85 53.77 1bka n ARG 332 Cb 0.08 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 29.89 1bka n ARG 332 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1bka s LYS 333 N -2.86 0.48 1.22 5.56 1.02 -1.16 -4.88 119.74 119.12 1bka s LYS 333 Ca 0.40 0.20 -0.16 0.00 0.02 0.00 0.00 55.97 56.43 1bka s LYS 333 Cb 0.38 0.22 0.26 0.00 -0.52 0.00 0.00 37.83 38.17 1bka s LYS 333 CO -0.05 -0.09 0.69 -1.13 -0.92 0.00 0.00 175.35 173.84 1bka n SER 334 N 2.31 -2.42 0.22 2.83 3.41 -1.26 -4.76 113.62 113.94 1bka n SER 334 Ca -0.16 -0.30 0.10 0.00 -0.26 0.00 0.00 58.87 58.24 1bka n SER 334 Cb 0.57 -1.11 0.45 0.00 -0.26 0.00 0.00 64.21 63.86 1bka n SER 334 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bka h GLU 335 N -2.72 0.00 0.13 4.33 5.08 -1.88 -1.92 114.58 117.60 1bka h GLU 335 Ca -0.56 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.49 1bka h GLU 335 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1bka h GLU 335 CO 0.42 0.23 -1.49 0.93 -1.00 0.00 0.00 179.01 178.09 1bka h GLU 336 N 0.00 0.28 -0.07 2.33 3.07 -1.96 -1.94 114.58 116.28 1bka h GLU 336 Ca -0.00 -0.48 -0.13 0.00 -0.50 0.00 0.00 59.36 58.24 1bka h GLU 336 Cb 0.76 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1bka h GLU 336 CO 0.03 1.17 -0.55 1.49 -1.40 0.00 0.00 179.01 179.75 1bka h GLU 337 N 0.08 0.21 -0.11 2.33 4.81 -1.86 0.18 114.58 120.22 1bka h GLU 337 Ca -0.23 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 58.70 1bka h GLU 337 Cb 2.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.41 1bka h GLU 337 CO 0.18 0.70 -0.65 0.28 -0.73 0.00 0.00 179.01 178.79 1bka h VAL 338 N 0.16 1.36 0.00 0.32 2.07 -1.40 -2.27 116.25 116.50 1bka h VAL 338 Ca 0.00 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.40 1bka h VAL 338 Cb 1.01 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1bka h VAL 338 CO 0.08 0.61 -0.54 0.00 0.02 0.00 0.00 177.57 177.74 1bka h ALA 339 N 1.00 0.71 -0.25 1.67 0.00 -0.87 -2.97 119.26 118.55 1bka h ALA 339 Ca -0.01 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 1bka h ALA 339 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bka h ALA 339 CO 0.11 0.67 -0.46 0.00 0.00 0.00 0.00 179.25 179.57 1bka h ALA 340 N 1.46 0.39 -0.67 0.00 0.00 -0.54 -2.92 119.26 116.98 1bka h ALA 340 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1bka h ALA 340 Cb 1.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1bka h ALA 340 CO 0.07 0.54 0.44 -0.09 0.00 0.00 0.00 179.25 180.22 1bka h ARG 341 N 0.49 0.88 0.00 0.00 9.65 -1.38 -2.65 114.38 121.38 1bka h ARG 341 Ca 0.01 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.72 1bka h ARG 341 Cb 1.07 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.43 1bka h ARG 341 CO 0.10 0.59 -0.57 0.00 2.80 0.00 0.00 179.97 182.89 1bka h ARG 342 N 0.91 0.00 0.00 0.20 3.08 -1.46 -3.23 114.38 113.87 1bka h ARG 342 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1bka h ARG 342 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1bka h ARG 342 CO -0.05 0.57 -0.22 0.00 -1.07 0.00 0.00 179.97 179.20 1bka h ALA 343 N 1.43 0.86 -2.88 0.04 0.00 -1.29 -3.45 119.26 113.96 1bka h ALA 343 Ca -0.01 -0.20 -0.58 0.00 0.00 0.00 0.00 54.91 54.12 1bka h ALA 343 Cb 1.08 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1bka h ALA 343 CO 0.07 0.27 -0.16 0.50 0.00 0.00 0.00 179.25 179.94 1bka s ARG 344 N -3.10 4.26 -0.40 0.00 3.52 -1.04 -4.88 118.95 117.31 1bka s ARG 344 Ca 0.06 0.43 -0.15 0.00 -0.13 0.00 0.00 55.73 55.94 1bka s ARG 344 Cb 0.06 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1bka s ARG 344 CO 0.70 0.27 0.34 0.08 -0.81 0.00 0.00 175.30 175.88 1bka s VAL 345 N 0.27 5.21 -0.31 7.11 1.01 -0.58 -4.93 120.40 128.18 1bka s VAL 345 Ca 0.25 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1bka s VAL 345 Cb -0.15 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1bka s VAL 345 CO 0.11 -0.29 0.44 -0.69 0.00 0.00 0.00 175.10 174.67 1bka s VAL 346 N 1.84 5.10 0.00 2.92 1.01 -1.26 -0.56 120.40 129.45 1bka s VAL 346 Ca 0.08 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1bka s VAL 346 Cb -0.18 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1bka s VAL 346 CO 0.11 -0.02 0.49 0.86 0.00 0.00 0.00 175.10 176.54 1bka s TRP 347 N 2.21 3.71 -0.20 5.22 -0.11 0.11 0.84 118.94 130.72 1bka s TRP 347 Ca 0.17 1.08 -0.12 0.00 1.22 0.00 0.00 56.10 58.45 1bka s TRP 347 Cb -0.16 -2.43 -0.05 0.00 -1.50 0.00 0.00 33.47 29.33 1bka s TRP 347 CO 0.11 0.51 0.24 0.00 -4.62 0.00 0.00 176.95 173.19 1bka s ALA 349 N 0.83 2.73 -0.53 0.00 0.00 -0.86 -4.71 121.76 119.22 1bka s ALA 349 Ca 0.12 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.12 1bka s ALA 349 Cb -0.13 -1.26 0.14 0.00 0.00 0.00 0.00 23.12 21.87 1bka s ALA 349 CO 0.04 0.31 0.40 0.08 0.00 0.00 0.00 175.76 176.58 1bka s VAL 350 N 0.13 4.19 0.00 0.00 1.01 -1.26 -0.66 120.40 123.81 1bka s VAL 350 Ca -0.05 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.82 1bka s VAL 350 Cb -0.15 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1bka s VAL 350 CO 0.04 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.93 1bka n GLY 351 N 4.51 0.35 0.28 4.51 0.00 -0.58 -4.33 105.19 109.93 1bka n GLY 351 Ca -0.02 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1bka n GLY 351 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bka h GLU 352 N 0.00 -0.38 -0.53 1.61 3.07 -1.92 0.82 114.58 117.25 1bka h GLU 352 Ca 0.00 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.98 1bka h GLU 352 Cb 0.00 0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 27.92 1bka h GLU 352 CO 0.00 -0.25 0.11 1.96 -1.40 0.00 0.00 179.01 179.43 1bka h GLN 353 N -0.40 0.24 -0.14 2.33 4.20 -1.99 0.79 115.11 120.14 1bka h GLN 353 Ca 0.01 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1bka h GLN 353 Cb 0.43 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1bka h GLN 353 CO -0.22 0.16 -0.40 0.93 -0.67 0.00 0.00 178.83 178.63 1bka h GLU 354 N 0.25 0.32 -0.49 1.46 5.08 -1.69 -1.11 114.58 118.41 1bka h GLU 354 Ca 0.27 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1bka h GLU 354 Cb 0.37 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1bka h GLU 354 CO -0.34 0.68 0.17 1.25 -1.00 0.00 0.00 179.01 179.77 1bka h LEU 355 N 0.27 0.70 -0.14 1.33 5.85 0.50 -1.96 115.31 121.86 1bka h LEU 355 Ca 0.03 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1bka h LEU 355 Cb 0.83 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1bka h LEU 355 CO 0.07 0.70 0.08 0.03 -0.34 0.00 0.00 178.44 178.98 1bka h ARG 356 N 0.66 0.17 -0.11 1.25 3.08 0.61 -2.20 114.38 117.84 1bka h ARG 356 Ca 0.16 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1bka h ARG 356 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1bka h ARG 356 CO -0.01 0.11 -0.24 -0.22 -1.07 0.00 0.00 179.97 178.54 1bka h LYS 357 N 0.17 0.19 -0.53 0.04 3.64 -1.05 -2.51 116.57 116.51 1bka h LYS 357 Ca 0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1bka h LYS 357 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1bka h LYS 357 CO -0.02 0.43 0.25 0.00 -2.27 0.00 0.00 179.45 177.83 1bka h ASN 359 N 0.71 -0.35 -0.52 0.00 2.35 -1.16 -0.80 115.58 115.81 1bka h ASN 359 Ca 0.18 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 1bka h ASN 359 Cb 0.14 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1bka h ASN 359 CO -0.02 -0.14 0.98 -0.61 -1.65 0.00 0.00 177.43 175.98 1bka h GLN 360 N -0.20 0.00 0.00 0.81 4.15 -1.41 2.88 115.11 121.34 1bka h GLN 360 Ca -0.01 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.15 1bka h GLN 360 Cb 0.19 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 1bka h GLN 360 CO -0.04 0.00 -1.78 1.87 -1.93 0.00 0.00 178.83 176.95 1bka n TRP 361 N -3.01 0.76 0.36 3.99 -0.00 -0.69 -3.81 117.44 115.04 1bka n TRP 361 Ca 0.11 0.27 -0.18 0.00 -0.00 0.00 0.00 57.50 57.70 1bka n TRP 361 Cb 1.14 -1.10 -0.09 0.00 -0.00 0.00 0.00 31.31 31.27 1bka n TRP 361 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 1bka h SER 362 N 0.00 -0.96 -1.09 5.87 0.87 0.64 0.29 113.55 119.19 1bka h SER 362 Ca -0.30 0.05 0.30 0.00 -1.23 0.00 0.00 61.79 60.62 1bka h SER 362 Cb 1.91 0.28 -0.11 0.00 -0.44 0.00 0.00 62.40 64.04 1bka h SER 362 CO 0.06 -0.61 0.68 1.23 -0.53 0.00 0.00 176.83 177.66 1bka h GLY 363 N -0.97 1.41 -0.97 5.77 0.00 -1.03 0.47 103.07 107.76 1bka h GLY 363 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1bka h GLY 363 CO 0.09 -0.24 -0.08 1.04 0.00 0.00 0.00 176.54 177.35 1bka n LEU 364 N -4.72 2.04 0.21 3.11 4.32 -0.26 -4.09 117.00 117.61 1bka n LEU 364 Ca 0.29 -0.68 0.10 0.00 -0.02 0.00 0.00 56.01 55.69 1bka n LEU 364 Cb 0.98 -0.01 0.26 0.00 -1.62 0.00 0.00 43.42 43.02 1bka n LEU 364 CO 0.22 0.35 0.74 0.77 -1.22 0.00 0.00 177.39 178.24 1bka h SER 365 N 3.08 0.00 -3.86 -1.43 4.64 0.18 -3.47 113.55 112.69 1bka h SER 365 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1bka h SER 365 Cb 0.71 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.88 1bka h SER 365 CO 0.00 0.19 -0.38 -0.62 -0.87 0.00 0.00 176.83 175.15 1bka n GLU 366 N -3.19 -2.67 -0.74 4.77 1.02 -1.25 -3.36 120.64 115.22 1bka n GLU 366 Ca 0.02 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1bka n GLU 366 Cb 0.54 -3.99 0.00 0.00 -0.02 0.00 0.00 31.44 27.97 1bka n GLU 366 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bka n GLY 367 N -1.14 0.43 0.21 0.62 0.00 -1.26 -4.88 105.19 99.16 1bka n GLY 367 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1bka n GLY 367 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bka h SER 368 N 0.00 0.00 -3.41 1.61 4.64 -1.87 -3.45 113.55 111.07 1bka h SER 368 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1bka h SER 368 Cb 0.04 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.78 1bka h SER 368 CO 0.00 0.00 -0.78 -0.69 -0.87 0.00 0.00 176.83 174.49 1bka s VAL 369 N -3.22 0.58 0.29 0.95 1.01 -1.26 -1.52 120.40 117.23 1bka s VAL 369 Ca 0.07 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1bka s VAL 369 Cb 0.06 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 1bka s VAL 369 CO 0.65 0.25 -0.05 0.28 0.00 0.00 0.00 175.10 176.23 1bka s THR 370 N 1.11 1.62 0.07 3.92 -1.32 0.27 -4.45 115.64 116.87 1bka s THR 370 Ca -0.08 -2.11 0.06 0.00 -1.21 0.00 0.00 61.69 58.35 1bka s THR 370 Cb -0.14 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1bka s THR 370 CO -0.01 -0.26 -0.08 0.00 -2.21 0.00 0.00 174.62 172.06 1bka s SER 372 N -1.95 2.10 0.19 0.00 0.15 0.21 -4.87 113.70 109.53 1bka s SER 372 Ca 0.21 -1.53 -0.15 0.00 0.70 0.00 0.00 55.95 55.18 1bka s SER 372 Cb -0.11 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1bka s SER 372 CO 0.12 -0.81 0.46 -0.55 1.20 0.00 0.00 173.24 173.66 1bka s SER 373 N -3.47 -0.17 0.22 5.45 0.15 -1.26 -2.03 113.70 112.59 1bka s SER 373 Ca 0.32 -0.61 -0.22 0.00 0.70 0.00 0.00 55.95 56.14 1bka s SER 373 Cb 0.05 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1bka s SER 373 CO 0.16 -1.02 0.69 0.00 1.20 0.00 0.00 173.24 174.26 1bka s ALA 374 N -3.91 -1.41 -2.60 5.45 0.00 0.16 -4.87 121.76 114.59 1bka s ALA 374 Ca 0.12 0.06 0.21 0.00 0.00 0.00 0.00 51.96 52.35 1bka s ALA 374 Cb 0.00 0.85 0.19 0.00 0.00 0.00 0.00 23.12 24.16 1bka s ALA 374 CO -0.01 -0.92 1.19 -1.13 0.00 0.00 0.00 175.76 174.89 1bka n SER 375 N -0.42 2.84 -3.78 0.00 3.41 -1.26 -1.52 113.62 112.88 1bka n SER 375 Ca -0.09 -1.89 -0.13 0.00 -0.26 0.00 0.00 58.87 56.50 1bka n SER 375 Cb 0.62 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1bka n SER 375 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1bka s THR 376 N -1.72 0.04 0.13 6.66 -4.23 -1.26 -4.57 115.64 110.69 1bka s THR 376 Ca 0.26 -0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 60.18 1bka s THR 376 Cb 0.18 -0.52 -0.02 0.00 1.34 0.00 0.00 72.50 73.48 1bka s THR 376 CO 0.27 -0.20 1.65 0.74 -0.54 0.00 0.00 174.62 176.54 1bka h THR 377 N 4.20 0.51 -0.74 3.99 2.02 -1.92 -2.39 112.91 118.59 1bka h THR 377 Ca -0.29 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.01 1bka h THR 377 Cb 1.18 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 1bka h THR 377 CO 0.38 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 176.29 1bka h GLU 378 N -0.26 0.55 0.00 6.66 3.07 -1.98 0.10 114.58 122.73 1bka h GLU 378 Ca 0.09 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1bka h GLU 378 Cb 0.39 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1bka h GLU 378 CO -0.26 0.36 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.18 1bka h ASP 379 N 0.57 0.00 0.12 1.42 3.32 -1.89 -1.83 116.42 118.12 1bka h ASP 379 Ca 0.38 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.18 1bka h ASP 379 Cb 0.47 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.04 1bka h ASP 379 CO -0.31 0.09 -1.05 0.00 -1.72 0.00 0.00 179.24 176.25 1bka h ILE 381 N 0.05 1.23 -0.34 0.00 2.04 -0.66 -2.78 117.51 117.05 1bka h ILE 381 Ca -0.16 -1.09 -0.13 0.00 1.00 0.00 0.00 64.86 64.47 1bka h ILE 381 Cb 1.77 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1bka h ILE 381 CO 0.20 0.33 -0.30 0.00 0.00 0.00 0.00 178.15 178.39 1bka h ALA 382 N 1.52 0.49 -0.17 1.87 0.00 -1.42 -2.48 119.26 119.07 1bka h ALA 382 Ca 0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1bka h ALA 382 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bka h ALA 382 CO 0.04 0.53 -0.24 -0.07 0.00 0.00 0.00 179.25 179.50 1bka h LEU 383 N 0.58 0.30 -0.32 0.00 3.38 -1.37 -1.99 115.31 115.90 1bka h LEU 383 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bka h LEU 383 Cb 0.87 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1bka h LEU 383 CO 0.08 0.55 0.12 0.58 0.09 0.00 0.00 178.44 179.86 1bka h VAL 384 N 0.28 1.19 -0.74 1.22 2.07 -1.49 0.12 116.25 118.90 1bka h VAL 384 Ca 0.04 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1bka h VAL 384 Cb 0.59 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1bka h VAL 384 CO 0.04 0.20 0.34 -0.07 0.02 0.00 0.00 177.57 178.11 1bka h LEU 385 N 0.36 0.98 -0.05 2.57 3.38 -1.11 -2.61 115.31 118.84 1bka h LEU 385 Ca 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1bka h LEU 385 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1bka h LEU 385 CO -0.01 0.85 0.00 0.29 0.09 0.00 0.00 178.44 179.66 1bka n LYS 386 N -4.39 1.03 -1.27 1.13 5.02 -0.78 -3.44 118.16 115.46 1bka n LYS 386 Ca 0.06 -0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 1bka n LYS 386 Cb 0.14 -1.07 -0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1bka n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bka n GLY 387 N 0.59 0.96 0.01 0.72 0.00 -0.98 -4.75 105.19 101.73 1bka n GLY 387 Ca 0.04 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1bka n GLY 387 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bka n GLU 388 N -1.11 0.02 -4.04 1.61 4.07 0.37 -4.86 120.64 116.70 1bka n GLU 388 Ca -0.09 0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 1bka n GLU 388 Cb 0.51 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 30.32 1bka n GLU 388 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bka s ALA 389 N -3.01 0.36 0.00 4.31 0.00 -0.80 -4.89 121.76 117.73 1bka s ALA 389 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1bka s ALA 389 Cb 0.18 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.41 1bka s ALA 389 CO 0.54 -0.81 0.00 -0.25 0.00 0.00 0.00 175.76 175.24 1bka n ASP 390 N -1.03 0.00 -3.55 0.00 8.00 0.25 -4.12 116.55 116.10 1bka n ASP 390 Ca -0.01 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 1bka n ASP 390 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 1bka n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bka s ALA 391 N 0.00 -1.90 -0.06 2.24 0.00 -1.13 -4.05 121.76 116.86 1bka s ALA 391 Ca 0.00 1.34 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 1bka s ALA 391 Cb 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 23.12 23.07 1bka s ALA 391 CO 0.00 -0.50 1.12 0.00 0.00 0.00 0.00 175.76 176.38 1bka s MET 392 N -2.10 0.56 -0.12 0.00 0.23 -1.21 -0.92 119.30 115.74 1bka s MET 392 Ca 0.02 -0.25 -0.16 0.00 -1.03 0.00 0.00 55.69 54.27 1bka s MET 392 Cb -0.01 0.23 -0.05 0.00 -1.53 0.00 0.00 34.83 33.48 1bka s MET 392 CO -0.03 -0.25 0.40 0.45 -2.03 0.00 0.00 175.02 173.55 1bka s SER 393 N -2.53 6.60 0.17 -1.18 0.15 -1.26 -1.34 113.70 114.31 1bka s SER 393 Ca 0.10 0.71 0.08 0.00 0.70 0.00 0.00 55.95 57.54 1bka s SER 393 Cb 0.00 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.03 1bka s SER 393 CO -0.05 0.07 -0.16 -0.76 1.20 0.00 0.00 173.24 173.54 1bka s LEU 394 N 0.37 2.47 0.70 3.45 1.43 0.61 -4.96 118.68 122.75 1bka s LEU 394 Ca 0.22 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 1bka s LEU 394 Cb -0.14 -0.74 0.01 0.00 0.03 0.00 0.00 46.19 45.35 1bka s LEU 394 CO 0.08 -0.09 1.07 -0.62 0.23 0.00 0.00 176.35 177.02 1bka s ASP 395 N -2.82 5.20 0.67 2.29 2.15 -1.26 -1.97 116.67 120.93 1bka s ASP 395 Ca 0.17 1.72 0.37 0.00 0.43 0.00 0.00 52.55 55.23 1bka s ASP 395 Cb -0.04 -2.51 1.99 0.00 -0.30 0.00 0.00 42.92 42.06 1bka s ASP 395 CO 0.06 -1.57 2.12 1.23 -0.17 0.00 0.00 175.17 176.84 1bka h GLY 396 N -0.60 0.00 1.72 2.66 0.00 -1.82 -0.76 103.07 104.28 1bka h GLY 396 Ca -0.44 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.70 1bka h GLY 396 CO 0.55 0.00 -0.79 -1.33 0.00 0.00 0.00 176.54 174.97 1bka h GLY 397 N 0.00 0.29 1.08 4.60 0.00 -1.89 -3.17 103.07 103.98 1bka h GLY 397 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1bka h GLY 397 CO 0.00 0.40 -0.80 -0.97 0.00 0.00 0.00 176.54 175.17 1bka h TYR 398 N 0.16 0.00 -0.17 5.60 0.05 -1.37 -3.23 116.97 118.01 1bka h TYR 398 Ca -0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.63 1bka h TYR 398 Cb 1.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.11 1bka h TYR 398 CO 0.03 0.00 -0.39 0.28 -1.05 0.00 0.00 178.16 177.03 1bka h VAL 399 N 0.00 1.30 0.74 -2.88 2.07 -1.41 0.03 116.25 116.10 1bka h VAL 399 Ca 0.00 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 1bka h VAL 399 Cb 0.87 1.60 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1bka h VAL 399 CO 0.00 0.46 -0.36 0.22 0.02 0.00 0.00 177.57 177.91 1bka h TYR 400 N 0.31 -0.92 -0.27 1.57 5.03 -1.57 0.12 116.97 121.24 1bka h TYR 400 Ca 0.03 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.38 1bka h TYR 400 Cb 0.83 0.31 -0.07 0.00 1.55 0.00 0.00 36.73 39.35 1bka h TYR 400 CO 0.02 -0.56 -0.17 1.15 -1.32 0.00 0.00 178.16 177.29 1bka h THR 401 N -1.21 0.52 -0.37 1.81 2.02 -1.59 0.17 112.91 114.26 1bka h THR 401 Ca -0.10 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.14 1bka h THR 401 Cb 0.78 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 1bka h THR 401 CO 0.17 0.00 0.02 0.00 0.37 0.00 0.00 175.52 176.08 1bka h ALA 402 N 1.04 0.35 -0.23 6.16 0.00 -1.02 0.11 119.26 125.67 1bka h ALA 402 Ca 0.15 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1bka h ALA 402 Cb 0.37 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1bka h ALA 402 CO -0.36 -0.38 -0.05 0.78 0.00 0.00 0.00 179.25 179.24 1bka h GLY 403 N 0.13 0.18 1.92 0.00 0.00 0.20 0.31 103.07 105.81 1bka h GLY 403 Ca 0.18 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1bka h GLY 403 CO -0.28 -0.08 0.03 0.50 0.00 0.00 0.00 176.54 176.71 1bka h LYS 404 N 0.01 0.00 -0.00 4.80 1.79 0.42 0.50 116.57 124.09 1bka h LYS 404 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1bka h LYS 404 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1bka h LYS 404 CO -0.23 0.00 -0.37 0.00 -1.08 0.00 0.00 179.45 177.77 1bka n GLY 406 N 1.42 2.90 3.79 0.00 0.00 0.18 -5.06 105.19 108.42 1bka n GLY 406 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1bka n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bka s LEU 407 N 0.00 3.50 0.15 0.99 1.43 -0.66 -4.77 118.68 119.32 1bka s LEU 407 Ca 0.00 1.91 0.04 0.00 -1.03 0.00 0.00 54.13 55.05 1bka s LEU 407 Cb 0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1bka s LEU 407 CO 0.00 -1.30 -0.09 0.68 0.23 0.00 0.00 176.35 175.86 1bka s VAL 408 N -2.35 1.16 0.06 -1.59 -7.23 0.55 -3.97 120.40 107.04 1bka s VAL 408 Ca 0.65 -2.06 -0.31 0.00 -1.81 0.00 0.00 61.98 58.46 1bka s VAL 408 Cb -0.18 -1.88 -0.07 0.00 0.56 0.00 0.00 36.38 34.80 1bka s VAL 408 CO 0.37 -0.72 1.52 -2.16 -0.31 0.00 0.00 175.10 173.80 1bka s PRO 409 N -3.76 4.25 -0.22 4.82 0.04 -1.26 -1.57 135.00 137.30 1bka s PRO 409 Ca 0.18 2.17 -0.16 0.00 0.04 0.00 0.00 61.00 63.22 1bka s PRO 409 Cb 0.03 -3.49 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 1bka s PRO 409 CO 0.01 -0.62 -0.33 0.28 0.04 0.00 0.00 177.00 176.38 1bka n VAL 410 N 4.51 1.51 -4.00 -0.36 0.31 0.61 -4.82 118.33 116.09 1bka n VAL 410 Ca 0.14 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 1bka n VAL 410 Cb 0.42 -2.15 -0.11 0.00 -0.91 0.00 0.00 33.84 31.09 1bka n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1bka s LEU 411 N -7.76 2.25 0.05 7.52 1.43 -1.23 -4.51 118.68 116.44 1bka s LEU 411 Ca -0.33 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.21 1bka s LEU 411 Cb 0.09 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.44 1bka s LEU 411 CO 0.45 -0.39 -0.08 0.00 0.23 0.00 0.00 176.35 176.56 1bka s ALA 412 N -2.16 2.99 0.44 4.21 0.00 -0.61 0.10 121.76 126.74 1bka s ALA 412 Ca -0.09 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.50 1bka s ALA 412 Cb -0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 1bka s ALA 412 CO -0.03 0.63 1.18 -1.21 0.00 0.00 0.00 175.76 176.33 1bka s GLU 413 N -1.81 3.83 -0.04 0.00 2.02 -0.12 -0.73 118.70 121.85 1bka s GLU 413 Ca 0.19 1.82 0.06 0.00 0.02 0.00 0.00 54.97 57.06 1bka s GLU 413 Cb -0.11 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 1bka s GLU 413 CO 0.11 -0.51 -0.20 1.21 0.02 0.00 0.00 175.26 175.89 1bka s ASN 414 N -1.26 3.51 0.39 -0.19 3.84 0.99 -4.65 114.94 117.57 1bka s ASN 414 Ca 0.62 -0.35 0.08 0.00 0.21 0.00 0.00 52.86 53.41 1bka s ASN 414 Cb -0.30 -0.65 -0.07 0.00 -0.55 0.00 0.00 41.25 39.68 1bka s ASN 414 CO 0.37 0.32 0.00 -0.31 -2.79 0.00 0.00 177.10 174.69 1bka s TYR 415 N -0.59 2.50 0.18 0.43 2.02 -1.26 0.26 117.35 120.89 1bka s TYR 415 Ca 0.09 -0.61 -0.32 0.00 -0.37 0.00 0.00 57.07 55.86 1bka s TYR 415 Cb -0.11 -1.69 -0.11 0.00 -0.40 0.00 0.00 41.96 39.65 1bka s TYR 415 CO 0.00 0.46 1.66 0.21 -1.57 0.00 0.00 175.55 176.32 1bka s LYS 416 N -3.70 4.17 1.04 -0.62 2.36 -1.26 -4.80 119.74 116.92 1bka s LYS 416 Ca 0.35 2.49 -0.11 0.00 -2.55 0.00 0.00 55.97 56.15 1bka s LYS 416 Cb 0.07 -3.18 0.22 0.00 -1.05 0.00 0.00 37.83 33.89 1bka s LYS 416 CO 0.18 -0.70 1.09 0.45 1.55 0.00 0.00 175.35 177.92 1bka s SER 417 N 1.36 1.88 0.00 1.43 0.15 -1.26 -4.76 113.70 112.51 1bka s SER 417 Ca 0.73 1.89 0.00 0.00 0.70 0.00 0.00 55.95 59.27 1bka s SER 417 Cb -0.46 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.38 1bka s SER 417 CO 0.32 -3.70 0.00 0.00 1.20 0.00 0.00 173.24 171.06 1bka n GLN 418 N -4.61 0.00 -3.64 5.44 0.00 -1.26 -4.44 117.38 108.88 1bka n GLN 418 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 56.85 1bka n GLN 418 Cb 0.53 -0.96 0.06 0.00 0.00 0.00 0.00 30.24 29.87 1bka n GLN 418 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1bka n GLN 419 N 0.23 -6.61 0.12 2.61 3.00 -1.26 -4.82 117.38 110.65 1bka n GLN 419 Ca 0.00 0.75 0.10 0.00 -0.01 0.00 0.00 57.00 57.85 1bka n GLN 419 Cb 0.00 -5.68 0.48 0.00 0.00 0.00 0.00 30.24 25.04 1bka n GLN 419 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1bka n SER 420 N -3.02 0.53 -0.01 1.08 3.41 -1.26 -4.87 113.62 109.48 1bka n SER 420 Ca -0.12 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1bka n SER 420 Cb 0.60 -0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1bka n SER 420 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bka n SER 421 N -2.13 -0.04 0.00 4.04 7.64 -1.26 -5.11 113.62 116.75 1bka n SER 421 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1bka n SER 421 Cb 0.14 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1bka n SER 421 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1bka n ASP 422 N -4.20 0.00 -4.52 6.43 9.92 -1.26 -4.53 116.55 118.38 1bka n ASP 422 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1bka n ASP 422 Cb 0.00 0.03 -0.06 0.00 -0.64 0.00 0.00 41.12 40.45 1bka n ASP 422 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1bka n PRO 423 N 1.86 0.95 -1.96 -0.24 -0.02 -1.26 -4.72 135.00 129.61 1bka n PRO 423 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 1bka n PRO 423 Cb 0.00 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 30.61 1bka n PRO 423 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1bka s ASP 424 N 10.20 6.63 0.19 2.55 -1.08 -1.26 -4.99 116.67 128.91 1bka s ASP 424 Ca 1.08 2.29 -0.04 0.00 -0.52 0.00 0.00 52.55 55.36 1bka s ASP 424 Cb -0.54 -2.53 0.11 0.00 -1.46 0.00 0.00 42.92 38.49 1bka s ASP 424 CO 0.36 -0.95 1.51 1.55 0.52 0.00 0.00 175.17 178.17 1bka h PRO 425 N 9.70 0.62 -2.40 4.34 0.14 -1.90 -3.38 132.00 139.12 1bka h PRO 425 Ca -0.41 -0.36 -0.65 0.00 0.14 0.00 0.00 66.00 64.72 1bka h PRO 425 Cb 1.19 0.03 -0.39 0.00 0.14 0.00 0.00 31.00 31.97 1bka h PRO 425 CO 0.95 0.97 -0.25 0.09 0.14 0.00 0.00 178.00 179.91 1bka n ASN 426 N -3.99 4.42 -0.10 1.44 4.13 -1.26 -4.73 115.26 115.17 1bka n ASN 426 Ca -0.03 -3.43 -0.20 0.00 1.68 0.00 0.00 54.58 52.59 1bka n ASN 426 Cb 0.58 -0.82 -0.10 0.00 -1.54 0.00 0.00 39.78 37.90 1bka n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bka h VAL 428 N -1.00 0.26 -0.02 0.00 2.07 -1.85 1.49 116.25 117.21 1bka h VAL 428 Ca -0.34 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1bka h VAL 428 Cb 1.24 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1bka h VAL 428 CO -0.20 0.03 -0.39 0.47 0.02 0.00 0.00 177.57 177.50 1bka n ASP 429 N -4.64 2.15 -4.71 0.57 8.00 -1.26 0.13 116.55 116.78 1bka n ASP 429 Ca 0.33 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.84 1bka n ASP 429 Cb 1.25 0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 42.71 1bka n ASP 429 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1bka s ARG 430 N -2.40 4.53 0.20 -1.24 3.52 0.51 -4.93 118.95 119.14 1bka s ARG 430 Ca 0.20 1.55 -0.30 0.00 -0.13 0.00 0.00 55.73 57.06 1bka s ARG 430 Cb 0.18 -3.41 -0.08 0.00 -1.56 0.00 0.00 34.95 30.08 1bka s ARG 430 CO 0.53 -0.09 1.19 -2.14 -0.81 0.00 0.00 175.30 173.98 1bka s PRO 431 N 0.88 4.50 0.55 5.12 0.02 -1.26 -4.62 135.00 140.20 1bka s PRO 431 Ca 0.54 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 63.23 1bka s PRO 431 Cb -0.24 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.01 1bka s PRO 431 CO 0.29 -0.05 1.32 0.14 -0.33 0.00 0.00 177.00 178.36 1bka s VAL 432 N -0.24 2.22 -0.30 3.83 -7.23 -1.26 -5.01 120.40 112.42 1bka s VAL 432 Ca 0.52 0.16 0.07 0.00 -1.81 0.00 0.00 61.98 60.91 1bka s VAL 432 Cb -0.33 -3.08 -0.07 0.00 0.56 0.00 0.00 36.38 33.46 1bka s VAL 432 CO 0.38 -0.01 0.27 -0.62 -0.31 0.00 0.00 175.10 174.81 1bka n GLU 433 N -1.14 4.61 0.00 4.82 1.02 -1.26 -5.07 120.64 123.62 1bka n GLU 433 Ca 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1bka n GLU 433 Cb 0.46 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1bka n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bka n GLY 434 N 1.20 -0.28 3.04 0.62 0.00 -1.26 -5.00 105.19 103.50 1bka n GLY 434 Ca 0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 1bka n GLY 434 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bka s TYR 435 N -1.51 0.49 -0.45 1.61 -0.85 0.33 -4.87 117.35 112.09 1bka s TYR 435 Ca 0.00 -0.62 -0.25 0.00 -0.52 0.00 0.00 57.07 55.67 1bka s TYR 435 Cb 0.00 -0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.05 1bka s TYR 435 CO 0.00 -0.17 0.92 -0.51 -1.52 0.00 0.00 175.55 174.27 1bka s LEU 436 N -1.82 4.01 -0.23 -3.49 1.43 -1.26 0.93 118.68 118.25 1bka s LEU 436 Ca -0.09 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 1bka s LEU 436 Cb -0.06 -3.20 0.01 0.00 0.03 0.00 0.00 46.19 42.97 1bka s LEU 436 CO -0.02 -1.03 1.04 0.00 0.23 0.00 0.00 176.35 176.57 1bka s ALA 437 N 3.73 3.68 0.39 4.21 0.00 0.13 -2.65 121.76 131.25 1bka s ALA 437 Ca 0.37 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.58 1bka s ALA 437 Cb -0.10 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 1bka s ALA 437 CO 0.26 -1.04 0.02 0.14 0.00 0.00 0.00 175.76 175.14 1bka s VAL 438 N 3.17 1.83 -0.21 0.00 -7.23 -0.30 -1.92 120.40 115.74 1bka s VAL 438 Ca 0.44 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1bka s VAL 438 Cb -0.15 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 33.89 1bka s VAL 438 CO 0.06 -0.01 -0.09 0.00 -0.31 0.00 0.00 175.10 174.75 1bka s ALA 439 N -2.83 2.04 0.04 1.32 0.00 -1.26 -2.75 121.76 118.31 1bka s ALA 439 Ca 0.35 -1.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1bka s ALA 439 Cb 0.10 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1bka s ALA 439 CO 0.17 -0.93 0.20 0.08 0.00 0.00 0.00 175.76 175.29 1bka s VAL 440 N 1.37 5.40 0.15 0.00 1.01 -0.70 -2.01 120.40 125.63 1bka s VAL 440 Ca -0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1bka s VAL 440 Cb -0.17 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1bka s VAL 440 CO -0.07 0.19 0.45 0.68 0.00 0.00 0.00 175.10 176.35 1bka s VAL 441 N -1.46 0.05 0.26 2.92 -7.23 -0.76 -1.21 120.40 112.98 1bka s VAL 441 Ca 0.33 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.54 1bka s VAL 441 Cb -0.13 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 35.37 1bka s VAL 441 CO 0.25 -0.22 1.13 -0.13 -0.31 0.00 0.00 175.10 175.82 1bka s ARG 442 N -3.84 4.59 0.20 4.82 0.52 -1.26 -1.11 118.95 122.86 1bka s ARG 442 Ca 0.06 1.85 -0.17 0.00 -0.52 0.00 0.00 55.73 56.95 1bka s ARG 442 Cb 0.01 -3.19 0.19 0.00 0.52 0.00 0.00 34.95 32.47 1bka s ARG 442 CO -0.08 0.12 1.61 -0.09 0.02 0.00 0.00 175.30 176.87 1bka h ARG 443 N 4.09 -0.08 -0.86 3.54 2.43 -0.48 -1.47 114.38 121.54 1bka h ARG 443 Ca -0.46 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 58.96 1bka h ARG 443 Cb 1.21 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1bka h ARG 443 CO 0.68 -0.05 0.76 0.77 -1.51 0.00 0.00 179.97 180.62 1bka h SER 444 N -0.08 0.00 -2.05 -3.80 0.02 -1.93 -3.25 113.55 102.46 1bka h SER 444 Ca 0.27 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.45 1bka h SER 444 Cb 0.51 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.85 1bka h SER 444 CO -0.66 0.00 1.49 0.47 -1.14 0.00 0.00 176.83 177.00 1bka n ASP 445 N -3.84 5.52 0.11 3.07 8.00 -0.56 -4.79 116.55 124.06 1bka n ASP 445 Ca 0.18 -3.18 0.20 0.00 0.71 0.00 0.00 54.79 52.70 1bka n ASP 445 Cb 1.06 -1.42 0.72 0.00 -0.02 0.00 0.00 41.12 41.46 1bka n ASP 445 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1bka h THR 446 N 3.75 0.28 -0.01 -3.53 2.02 -1.82 -0.73 112.91 112.87 1bka h THR 446 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1bka h THR 446 Cb 0.67 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1bka h THR 446 CO 1.46 0.00 -0.56 -1.54 0.37 0.00 0.00 175.52 175.25 1bka n SER 447 N -3.53 1.07 -4.73 4.18 3.41 -1.26 -4.90 113.62 107.86 1bka n SER 447 Ca 0.07 -0.86 -0.41 0.00 -0.26 0.00 0.00 58.87 57.41 1bka n SER 447 Cb 0.65 0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 65.02 1bka n SER 447 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bka s LEU 448 N -2.77 4.48 0.24 1.04 2.01 -0.28 -4.95 118.68 118.44 1bka s LEU 448 Ca 0.15 1.69 0.01 0.00 0.01 0.00 0.00 54.13 55.99 1bka s LEU 448 Cb 0.18 -3.49 -0.04 0.00 0.01 0.00 0.00 46.19 42.85 1bka s LEU 448 CO 0.67 -0.05 0.16 0.42 1.01 0.00 0.00 176.35 178.56 1bka s THR 449 N 0.03 0.05 0.15 5.49 -4.23 -1.26 -5.00 115.64 110.86 1bka s THR 449 Ca 0.45 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.68 1bka s THR 449 Cb -0.22 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1bka s THR 449 CO 0.28 0.00 1.57 -0.25 -0.54 0.00 0.00 174.62 175.68 1bka h TRP 450 N 2.49 -1.28 0.00 3.99 2.91 -1.83 -2.35 115.95 119.88 1bka h TRP 450 Ca -0.34 0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.75 1bka h TRP 450 Cb 1.25 0.62 0.00 0.00 -0.51 0.00 0.00 29.16 30.51 1bka h TRP 450 CO 0.66 -0.45 0.17 -0.91 -1.03 0.00 0.00 178.44 176.89 1bka h ASN 451 N -0.34 0.00 0.00 2.65 2.35 -1.89 -2.42 115.58 115.93 1bka h ASN 451 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1bka h ASN 451 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1bka h ASN 451 CO -0.57 0.00 -0.16 -1.54 -1.65 0.00 0.00 177.43 173.51 1bka n SER 452 N -2.60 1.17 0.09 5.81 3.41 -1.07 -4.81 113.62 115.63 1bka n SER 452 Ca -0.02 -2.21 -0.12 0.00 -0.26 0.00 0.00 58.87 56.26 1bka n SER 452 Cb 0.22 -0.21 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1bka n SER 452 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1bka h VAL 453 N 2.66 1.54 -1.74 -3.33 3.04 -0.90 -3.44 116.25 114.08 1bka h VAL 453 Ca 0.00 -2.99 -0.68 0.00 -1.01 0.00 0.00 66.70 62.02 1bka h VAL 453 Cb 1.03 2.77 0.03 0.00 -2.01 0.00 0.00 31.29 33.11 1bka h VAL 453 CO 0.00 0.87 0.80 0.29 -1.01 0.00 0.00 177.57 178.52 1bka n LYS 454 N -3.54 1.44 0.00 4.17 5.02 -1.26 -1.68 118.16 122.31 1bka n LYS 454 Ca -0.05 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1bka n LYS 454 Cb 0.94 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1bka n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bka n GLY 455 N 3.69 2.21 2.67 0.72 0.00 -0.03 -5.00 105.19 109.45 1bka n GLY 455 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.04 1bka n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bka n LYS 456 N -0.21 -1.29 -3.78 1.61 4.01 -0.67 -2.73 118.16 115.10 1bka n LYS 456 Ca 0.00 -1.41 -0.37 0.00 -0.51 0.00 0.00 58.31 56.03 1bka n LYS 456 Cb 0.00 -1.01 -0.06 0.00 -0.51 0.00 0.00 35.03 33.44 1bka n LYS 456 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1bka s LYS 457 N -4.99 3.63 0.38 1.97 1.02 -1.26 -1.38 119.74 119.11 1bka s LYS 457 Ca 0.53 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.57 1bka s LYS 457 Cb -0.02 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 34.00 1bka s LYS 457 CO 0.38 0.70 0.02 -1.54 -0.92 0.00 0.00 175.35 173.98 1bka s SER 458 N -0.85 4.01 -0.05 2.83 1.04 -1.19 -1.75 113.70 117.75 1bka s SER 458 Ca 0.16 -1.20 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1bka s SER 458 Cb -0.13 -0.43 0.02 0.00 0.10 0.00 0.00 66.02 65.58 1bka s SER 458 CO 0.05 -0.37 -0.04 0.00 0.98 0.00 0.00 173.24 173.87 1bka s HIS 460 N 1.08 1.49 0.03 0.00 3.76 0.61 -1.58 115.29 120.69 1bka s HIS 460 Ca -0.09 -0.58 -0.29 0.00 -0.15 0.00 0.00 55.06 53.96 1bka s HIS 460 Cb -0.14 -0.75 -0.17 0.00 1.11 0.00 0.00 32.58 32.63 1bka s HIS 460 CO -0.01 0.20 1.36 1.79 -0.85 0.00 0.00 174.74 177.24 1bka h THR 461 N 3.18 0.38 -1.79 1.30 1.35 -1.74 -3.38 112.91 112.20 1bka h THR 461 Ca -0.39 -0.28 0.24 0.00 -0.55 0.00 0.00 66.41 65.43 1bka h THR 461 Cb 1.20 0.48 -0.13 0.00 -1.73 0.00 0.00 68.15 67.97 1bka h THR 461 CO 0.55 0.04 0.69 0.00 -0.25 0.00 0.00 175.52 176.55 1bka s ALA 462 N -5.37 -2.00 0.25 6.62 0.00 -1.26 -2.02 121.76 117.99 1bka s ALA 462 Ca -0.16 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1bka s ALA 462 Cb 0.02 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 1bka s ALA 462 CO 0.54 -0.88 1.05 0.54 0.00 0.00 0.00 175.76 177.01 1bka s VAL 463 N -2.73 3.74 0.00 0.00 0.11 -0.67 -3.58 120.40 117.28 1bka s VAL 463 Ca 0.11 1.71 0.00 0.00 -2.93 0.00 0.00 61.98 60.87 1bka s VAL 463 Cb 0.01 -4.09 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1bka s VAL 463 CO -0.03 0.39 0.00 0.47 -3.33 0.00 0.00 175.10 172.60 1bka n ASP 464 N 1.47 0.00 -4.93 3.54 8.00 -1.26 -4.99 116.55 118.37 1bka n ASP 464 Ca -0.01 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.24 1bka n ASP 464 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.54 1bka n ASP 464 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1bka s ARG 465 N -0.69 3.52 0.04 -1.24 0.52 -1.23 -4.23 118.95 115.64 1bka s ARG 465 Ca 0.00 -0.25 -0.22 0.00 -0.52 0.00 0.00 55.73 54.74 1bka s ARG 465 Cb 0.00 -2.67 -0.11 0.00 0.52 0.00 0.00 34.95 32.69 1bka s ARG 465 CO 0.00 0.18 1.33 1.15 0.02 0.00 0.00 175.30 177.98 1bka h THR 466 N 0.93 0.00 0.44 0.02 2.02 -1.93 -0.87 112.91 113.53 1bka h THR 466 Ca -0.49 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1bka h THR 466 Cb 1.21 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1bka h THR 466 CO 0.63 0.00 -0.21 0.00 0.37 0.00 0.00 175.52 176.31 1bka h ALA 467 N -1.42 -0.59 -0.02 6.16 0.00 -1.92 0.73 119.26 122.21 1bka h ALA 467 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1bka h ALA 467 Cb 0.56 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1bka h ALA 467 CO 0.04 -0.82 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1bka n GLY 468 N -1.28 -0.43 1.39 0.00 0.00 -1.24 -4.48 105.19 99.15 1bka n GLY 468 Ca -0.11 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1bka n GLY 468 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bka n TRP 469 N -0.33 -0.19 -0.23 1.61 -0.00 -0.95 -4.32 117.44 113.01 1bka n TRP 469 Ca 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.69 1bka n TRP 469 Cb 0.24 0.35 0.05 0.00 -0.00 0.00 0.00 31.31 31.95 1bka n TRP 469 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1bka h ASN 470 N 0.00 -0.89 -0.03 5.87 4.21 -1.18 -2.04 115.58 121.51 1bka h ASN 470 Ca 0.00 0.22 -0.00 0.00 1.21 0.00 0.00 56.30 57.73 1bka h ASN 470 Cb 0.00 0.51 -0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1bka h ASN 470 CO 0.00 -0.27 0.01 0.40 -1.29 0.00 0.00 177.43 176.28 1bka h ILE 471 N -0.07 1.17 0.00 2.81 2.04 -1.07 -2.76 117.51 119.63 1bka h ILE 471 Ca 0.30 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1bka h ILE 471 Cb 0.54 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1bka h ILE 471 CO -0.73 0.13 0.00 -2.65 0.00 0.00 0.00 178.15 174.91 1bka n PRO 472 N -4.97 0.00 -0.54 2.37 -0.02 -1.17 -1.45 135.00 129.21 1bka n PRO 472 Ca -0.07 0.00 0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1bka n PRO 472 Cb 0.13 -0.88 0.64 0.00 -0.02 0.00 0.00 33.50 33.37 1bka n PRO 472 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1bka n MET 473 N -0.50 -0.00 0.08 -0.52 2.81 -0.78 0.19 117.12 118.39 1bka n MET 473 Ca 0.00 0.89 -0.15 0.00 -1.81 0.00 0.00 57.70 56.63 1bka n MET 473 Cb 0.00 -2.00 -0.14 0.00 -0.71 0.00 0.00 33.22 30.37 1bka n MET 473 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1bka h GLY 474 N 0.00 0.25 1.70 3.03 0.00 -1.50 -1.97 103.07 104.57 1bka h GLY 474 Ca 0.75 -0.63 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1bka h GLY 474 CO -0.06 0.55 -0.54 1.41 0.00 0.00 0.00 176.54 177.90 1bka h LEU 475 N 0.06 0.35 -0.15 3.11 3.38 0.32 -2.99 115.31 119.37 1bka h LEU 475 Ca -0.16 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1bka h LEU 475 Cb 1.96 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1bka h LEU 475 CO 0.17 0.82 -0.16 -0.07 0.09 0.00 0.00 178.44 179.30 1bka h LEU 476 N 0.24 0.00 0.00 1.67 3.38 -1.52 -3.26 115.31 115.83 1bka h LEU 476 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1bka h LEU 476 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1bka h LEU 476 CO 0.09 0.16 -1.43 0.33 0.09 0.00 0.00 178.44 177.67 1bka n PHE 477 N -3.15 0.94 0.01 1.13 7.35 -0.74 -3.64 117.46 119.36 1bka n PHE 477 Ca 0.03 0.31 -0.11 0.00 -0.76 0.00 0.00 57.45 56.93 1bka n PHE 477 Cb 0.57 -1.07 -0.05 0.00 0.35 0.00 0.00 39.48 39.28 1bka n PHE 477 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1bka h ASN 478 N 0.00 -0.08 -0.88 -2.13 -1.24 -1.56 -0.62 115.58 109.07 1bka h ASN 478 Ca -0.16 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.85 1bka h ASN 478 Cb 1.57 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.63 1bka h ASN 478 CO 0.04 -0.03 0.47 1.56 -1.29 0.00 0.00 177.43 178.18 1bka h GLN 479 N 0.00 1.24 0.00 6.67 4.20 -1.69 -3.36 115.11 122.17 1bka h GLN 479 Ca 0.04 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1bka h GLN 479 Cb 0.06 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1bka h GLN 479 CO -0.08 0.92 -0.78 0.25 -0.67 0.00 0.00 178.83 178.46 1bka n THR 480 N -4.32 0.00 -1.39 -0.54 -2.24 -1.22 -4.99 114.28 99.57 1bka n THR 480 Ca 0.09 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 1bka n THR 480 Cb 0.11 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 1bka n THR 480 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bka n GLY 481 N 1.92 1.39 3.64 3.38 0.00 -0.24 -4.92 105.19 110.36 1bka n GLY 481 Ca -0.00 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1bka n GLY 481 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bka s SER 482 N -2.73 6.90 0.00 1.61 0.15 -1.26 -4.88 113.70 113.48 1bka s SER 482 Ca 0.00 1.04 0.20 0.00 0.70 0.00 0.00 55.95 57.89 1bka s SER 482 Cb 0.00 -2.54 1.15 0.00 -1.71 0.00 0.00 66.02 62.92 1bka s SER 482 CO 0.00 -0.92 1.60 0.00 1.20 0.00 0.00 173.24 175.13 1bka n LYS 484 N -1.08 3.08 0.17 0.00 5.02 -1.26 -4.78 118.16 119.31 1bka n LYS 484 Ca 0.14 -2.94 0.11 0.00 -2.02 0.00 0.00 58.31 53.60 1bka n LYS 484 Cb 0.09 -3.24 0.59 0.00 -0.02 0.00 0.00 35.03 32.45 1bka n LYS 484 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1bka h PHE 485 N 6.24 0.00 -0.04 2.13 0.04 -2.01 -2.17 116.94 121.13 1bka h PHE 485 Ca 0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.28 1bka h PHE 485 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1bka h PHE 485 CO 1.40 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 178.71 1bka n ASP 486 N -2.27 1.30 -0.16 2.17 5.75 -1.26 -3.74 116.55 118.34 1bka n ASP 486 Ca -0.01 -1.48 0.03 0.00 -0.01 0.00 0.00 54.79 53.32 1bka n ASP 486 Cb 0.08 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.16 1bka n ASP 486 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bka n GLU 487 N 0.03 1.73 -0.12 0.11 1.02 -0.82 -4.56 120.64 118.03 1bka n GLU 487 Ca 0.19 -0.57 -0.09 0.00 -0.02 0.00 0.00 57.16 56.68 1bka n GLU 487 Cb 0.31 -0.99 -0.01 0.00 -0.02 0.00 0.00 31.44 30.73 1bka n GLU 487 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1bka h TYR 488 N 0.80 0.49 -3.69 -0.32 -1.99 -1.69 -3.43 116.97 107.15 1bka h TYR 488 Ca 0.00 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 60.17 1bka h TYR 488 Cb 0.21 -0.16 -0.20 0.00 2.00 0.00 0.00 36.73 38.58 1bka h TYR 488 CO 0.00 0.37 -0.81 -0.06 -0.00 0.00 0.00 178.16 177.66 1bka s PHE 489 N -5.93 1.85 0.07 4.88 0.08 -1.26 -0.85 117.98 116.82 1bka s PHE 489 Ca -0.13 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.25 1bka s PHE 489 Cb 0.10 -0.98 -0.16 0.00 -0.57 0.00 0.00 43.02 41.41 1bka s PHE 489 CO 0.73 0.27 1.66 0.66 -0.10 0.00 0.00 175.22 178.43 1bka h SER 490 N 3.75 -0.08 -3.05 1.36 4.64 -1.02 -3.44 113.55 115.71 1bka h SER 490 Ca -0.45 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 60.67 1bka h SER 490 Cb 1.19 0.02 -0.28 0.00 -0.31 0.00 0.00 62.40 63.02 1bka h SER 490 CO 0.44 0.01 -0.39 0.00 -0.87 0.00 0.00 176.83 176.02 1bka s GLN 491 N -5.91 0.30 0.17 4.77 -2.07 -1.26 -4.91 119.66 110.75 1bka s GLN 491 Ca -0.14 0.78 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 1bka s GLN 491 Cb 0.05 0.03 -0.00 0.00 -1.09 0.00 0.00 33.01 32.00 1bka s GLN 491 CO 0.65 -0.20 0.01 0.43 -1.32 0.00 0.00 175.29 174.87 1bka n SER 492 N 4.65 2.14 -3.42 12.60 7.64 -0.47 -3.15 113.62 133.60 1bka n SER 492 Ca -0.18 -1.78 -0.21 0.00 1.01 0.00 0.00 58.87 57.72 1bka n SER 492 Cb 0.53 0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.81 1bka n SER 492 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bka n ALA 494 N 4.91 2.97 -1.62 0.00 0.00 -0.91 0.23 120.51 126.08 1bka n ALA 494 Ca 0.02 -3.38 -0.46 0.00 0.00 0.00 0.00 53.44 49.62 1bka n ALA 494 Cb 0.44 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1bka n ALA 494 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bka n PRO 495 N 2.66 1.56 -0.85 0.00 -0.02 -1.26 -3.23 135.00 133.86 1bka n PRO 495 Ca 0.28 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1bka n PRO 495 Cb 0.46 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1bka n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bka n GLY 496 N 1.92 1.30 3.65 -1.23 0.00 0.96 -1.66 105.19 110.14 1bka n GLY 496 Ca 0.13 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1bka n GLY 496 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bka s SER 497 N -2.42 3.95 0.06 1.61 0.01 -1.20 -4.81 113.70 110.89 1bka s SER 497 Ca 0.00 -1.41 -0.30 0.00 1.31 0.00 0.00 55.95 55.54 1bka s SER 497 Cb 0.00 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.92 1bka s SER 497 CO 0.00 -0.53 1.91 -0.62 0.41 0.00 0.00 173.24 174.41 1bka s ASP 498 N -3.75 6.45 0.00 2.44 -1.08 -1.26 -4.81 116.67 114.66 1bka s ASP 498 Ca 0.30 2.67 0.23 0.00 -0.52 0.00 0.00 52.55 55.24 1bka s ASP 498 Cb 0.08 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.36 1bka s ASP 498 CO 0.15 -1.03 1.77 -0.81 0.52 0.00 0.00 175.17 175.77 1bka n PRO 499 N 7.02 0.66 -0.04 4.34 -0.04 -1.26 -2.02 135.00 143.67 1bka n PRO 499 Ca 0.19 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 1bka n PRO 499 Cb 0.40 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.20 1bka n PRO 499 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bka n ARG 500 N -1.05 0.67 -1.58 0.54 3.00 -1.26 -4.86 116.66 112.11 1bka n ARG 500 Ca 0.16 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.85 57.60 1bka n ARG 500 Cb 0.10 -1.54 0.13 0.00 0.00 0.00 0.00 32.46 31.16 1bka n ARG 500 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1bka s SER 501 N -4.89 3.60 0.26 0.55 1.04 -0.85 -5.00 113.70 108.41 1bka s SER 501 Ca -0.08 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.28 1bka s SER 501 Cb 0.11 -1.48 0.33 0.00 0.10 0.00 0.00 66.02 65.08 1bka s SER 501 CO 0.88 -2.49 1.68 0.78 0.98 0.00 0.00 173.24 175.06 1bka h ASN 502 N -1.46 0.55 -0.45 7.02 2.35 -1.90 -3.03 115.58 118.67 1bka h ASN 502 Ca -0.50 -0.20 0.13 0.00 -0.55 0.00 0.00 56.30 55.18 1bka h ASN 502 Cb 1.33 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.53 1bka h ASN 502 CO 0.62 0.82 0.36 -0.07 -1.65 0.00 0.00 177.43 177.51 1bka h LEU 503 N 0.46 0.00 -3.05 1.61 3.38 -1.82 0.83 115.31 116.72 1bka h LEU 503 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1bka h LEU 503 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1bka h LEU 503 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1bka h ALA 505 N 2.48 1.69 -0.18 0.00 0.00 -0.30 -3.07 119.26 119.88 1bka h ALA 505 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bka h ALA 505 Cb 1.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1bka h ALA 505 CO 0.12 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.93 1bka n LEU 506 N -4.46 2.67 -4.78 0.00 4.77 -0.20 -4.98 117.00 110.02 1bka n LEU 506 Ca 0.03 -1.03 -0.34 0.00 -0.03 0.00 0.00 56.01 54.63 1bka n LEU 506 Cb 0.07 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1bka n LEU 506 CO 0.35 0.52 0.75 0.00 -1.33 0.00 0.00 177.39 177.68 1bka n ILE 508 N -1.34 0.91 -4.58 0.00 -5.35 -1.26 -4.78 119.36 102.97 1bka n ILE 508 Ca 0.10 -0.96 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 1bka n ILE 508 Cb 0.52 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1bka n ILE 508 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bka n GLY 509 N -0.42 0.02 1.25 3.28 0.00 -1.25 -4.31 105.19 103.76 1bka n GLY 509 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.07 1bka n GLY 509 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bka n ASP 510 N -3.08 0.34 0.20 1.61 5.68 1.05 -2.59 116.55 119.76 1bka n ASP 510 Ca 0.00 -1.31 0.06 0.00 -0.50 0.00 0.00 54.79 53.03 1bka n ASP 510 Cb 0.00 -0.24 0.30 0.00 -1.14 0.00 0.00 41.12 40.04 1bka n ASP 510 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1bka h GLU 511 N 0.00 0.00 -0.12 0.11 4.57 -1.86 2.00 114.58 119.29 1bka h GLU 511 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1bka h GLU 511 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1bka h GLU 511 CO 0.11 0.00 0.00 1.04 -1.18 0.00 0.00 179.01 178.98 1bka n GLN 512 N -2.13 1.37 -2.54 1.92 1.13 -1.26 -4.95 117.38 110.92 1bka n GLN 512 Ca -0.01 -1.52 -0.13 0.00 -1.94 0.00 0.00 57.00 53.41 1bka n GLN 512 Cb 0.49 -1.27 0.01 0.00 0.11 0.00 0.00 30.24 29.58 1bka n GLN 512 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bka n GLY 513 N 0.75 -0.05 3.47 1.08 0.00 0.68 -5.00 105.19 106.11 1bka n GLY 513 Ca 0.09 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1bka n GLY 513 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bka s GLU 514 N -4.99 1.71 -0.80 1.61 0.41 -1.23 -4.65 118.70 110.75 1bka s GLU 514 Ca 0.11 -1.44 -0.02 0.00 -0.41 0.00 0.00 54.97 53.21 1bka s GLU 514 Cb -0.05 -1.95 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1bka s GLU 514 CO 0.14 0.41 0.26 0.09 -0.49 0.00 0.00 175.26 175.68 1bka n ASN 515 N 0.17 -3.80 -4.73 -0.19 3.02 -1.26 0.34 115.26 108.82 1bka n ASN 515 Ca -0.12 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 53.89 1bka n ASN 515 Cb 0.56 -2.74 -0.03 0.00 -0.61 0.00 0.00 39.78 36.96 1bka n ASN 515 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1bka s LYS 516 N -5.03 4.27 -1.47 3.52 1.02 -1.26 -3.42 119.74 117.36 1bka s LYS 516 Ca 0.13 2.27 -0.01 0.00 0.02 0.00 0.00 55.97 58.39 1bka s LYS 516 Cb -0.06 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1bka s LYS 516 CO 0.16 -0.46 0.07 0.00 -0.92 0.00 0.00 175.35 174.20 1bka s VAL 518 N -2.91 4.78 0.00 0.00 1.01 -1.22 -0.03 120.40 122.04 1bka s VAL 518 Ca 0.04 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.17 1bka s VAL 518 Cb -0.02 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.33 1bka s VAL 518 CO 0.05 0.54 2.46 -0.81 0.00 0.00 0.00 175.10 177.34 1bka n PRO 519 N 1.83 1.28 -3.57 2.72 -0.04 -1.26 -4.42 135.00 131.54 1bka n PRO 519 Ca -0.10 -0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 62.69 1bka n PRO 519 Cb 0.51 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 1bka n PRO 519 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bka s ASN 520 N 2.22 -0.33 0.45 3.54 2.20 -1.26 -4.61 114.94 117.14 1bka s ASN 520 Ca 0.38 -0.21 0.06 0.00 -0.94 0.00 0.00 52.86 52.15 1bka s ASN 520 Cb 0.18 0.51 0.34 0.00 -2.00 0.00 0.00 41.25 40.28 1bka s ASN 520 CO 0.00 -0.88 1.06 0.77 -2.94 0.00 0.00 177.10 175.11 1bka h SER 521 N 2.28 0.00 -0.76 3.54 4.64 -1.85 -1.07 113.55 120.32 1bka h SER 521 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 1bka h SER 521 Cb 1.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 1bka h SER 521 CO 0.44 0.00 0.38 0.78 -0.87 0.00 0.00 176.83 177.57 1bka h ASN 522 N 0.00 0.98 -2.81 4.97 2.35 -1.94 -3.38 115.58 115.77 1bka h ASN 522 Ca 0.00 -0.12 -0.56 0.00 -0.55 0.00 0.00 56.30 55.07 1bka h ASN 522 Cb 1.32 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.41 1bka h ASN 522 CO 0.00 0.83 1.00 -0.70 -1.65 0.00 0.00 177.43 176.91 1bka s GLU 523 N -5.75 4.13 0.65 0.81 2.56 -0.41 -3.62 118.70 117.07 1bka s GLU 523 Ca -0.13 1.80 0.41 0.00 0.00 0.00 0.00 54.97 57.06 1bka s GLU 523 Cb 0.15 -3.89 2.27 0.00 2.00 0.00 0.00 34.13 34.66 1bka s GLU 523 CO 0.81 -0.87 2.32 0.00 -0.56 0.00 0.00 175.26 176.96 1bka h ARG 524 N 9.08 0.00 -0.67 4.30 3.08 -1.68 -1.81 114.38 126.69 1bka h ARG 524 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1bka h ARG 524 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1bka h ARG 524 CO 0.97 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.53 1bka n TYR 525 N -3.21 1.30 -3.17 3.04 4.02 -1.26 -4.47 117.16 113.41 1bka n TYR 525 Ca -0.03 -0.58 -0.30 0.00 -0.01 0.00 0.00 57.90 56.98 1bka n TYR 525 Cb 0.10 -0.16 -0.04 0.00 -0.02 0.00 0.00 39.34 39.22 1bka n TYR 525 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1bka s TYR 526 N -1.57 3.45 0.00 -0.72 6.14 -0.68 -3.29 117.35 120.68 1bka s TYR 526 Ca 0.50 0.91 0.00 0.00 0.64 0.00 0.00 57.07 59.12 1bka s TYR 526 Cb 0.30 -2.31 0.00 0.00 0.42 0.00 0.00 41.96 40.37 1bka s TYR 526 CO 0.27 0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.96 1bka n GLY 527 N -0.78 -1.28 0.28 8.97 0.00 -0.86 -2.16 105.19 109.37 1bka n GLY 527 Ca 0.01 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1bka n GLY 527 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1bka h TYR 528 N 0.00 -0.68 -0.08 1.61 0.05 -1.94 0.16 116.97 116.08 1bka h TYR 528 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1bka h TYR 528 Cb 0.00 0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1bka h TYR 528 CO 0.00 -0.34 -0.00 1.15 -1.05 0.00 0.00 178.16 177.92 1bka h THR 529 N -0.33 1.26 -0.74 -2.88 2.02 -1.82 -2.80 112.91 107.62 1bka h THR 529 Ca 0.09 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1bka h THR 529 Cb 0.47 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 1bka h THR 529 CO -0.30 0.23 0.38 1.23 0.37 0.00 0.00 175.52 177.44 1bka h GLY 530 N -0.14 1.10 0.90 2.16 0.00 -1.23 -0.08 103.07 105.78 1bka h GLY 530 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1bka h GLY 530 CO 0.01 0.48 0.06 0.00 0.00 0.00 0.00 176.54 177.09 1bka h ALA 531 N 1.39 0.44 -0.02 3.60 0.00 -0.68 -2.46 119.26 121.53 1bka h ALA 531 Ca 0.26 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1bka h ALA 531 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1bka h ALA 531 CO -0.04 0.12 -0.14 0.35 0.00 0.00 0.00 179.25 179.55 1bka h PHE 532 N 0.37 -0.35 0.00 0.00 3.57 -1.12 -1.72 116.94 117.69 1bka h PHE 532 Ca 0.10 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1bka h PHE 532 Cb 0.33 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1bka h PHE 532 CO 0.02 -0.20 -0.06 -0.09 -2.23 0.00 0.00 178.31 175.75 1bka h ARG 533 N -0.22 0.00 0.00 1.11 2.43 -0.99 -1.31 114.38 115.39 1bka h ARG 533 Ca 0.05 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1bka h ARG 533 Cb 0.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1bka h ARG 533 CO -0.15 0.06 -0.18 0.00 -1.51 0.00 0.00 179.97 178.19 1bka h LEU 535 N 0.00 0.00 -0.87 0.00 5.85 -1.19 0.16 115.31 119.26 1bka h LEU 535 Ca -0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1bka h LEU 535 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1bka h LEU 535 CO 0.02 0.53 0.79 0.00 -0.34 0.00 0.00 178.44 179.44 1bka h ALA 536 N -1.19 1.93 -0.26 1.25 0.00 -1.24 1.03 119.26 120.78 1bka h ALA 536 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1bka h ALA 536 Cb 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1bka h ALA 536 CO 0.00 -0.87 -0.04 0.39 0.00 0.00 0.00 179.25 178.73 1bka n GLU 537 N -2.79 2.25 -3.76 0.00 1.02 -0.78 -4.95 120.64 111.64 1bka n GLU 537 Ca 0.03 -2.96 -0.29 0.00 -0.02 0.00 0.00 57.16 53.92 1bka n GLU 537 Cb 0.86 -1.79 -0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1bka n GLU 537 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1bka n ASN 538 N -0.89 -3.75 -0.07 1.62 3.02 0.36 -4.86 115.26 110.68 1bka n ASN 538 Ca 0.25 -0.67 -0.12 0.00 -0.03 0.00 0.00 54.58 54.02 1bka n ASN 538 Cb 0.92 -3.07 -0.10 0.00 -0.61 0.00 0.00 39.78 36.92 1bka n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bka h ALA 539 N 0.95 0.03 -4.53 5.41 0.00 -0.87 -3.46 119.26 116.80 1bka h ALA 539 Ca -0.51 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 53.80 1bka h ALA 539 Cb 1.33 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1bka h ALA 539 CO 0.64 0.10 -0.04 0.41 0.00 0.00 0.00 179.25 180.36 1bka n GLY 540 N 1.63 2.46 0.00 0.00 0.00 -0.02 -4.94 105.19 104.31 1bka n GLY 540 Ca -0.10 -2.18 0.02 0.00 0.00 0.00 0.00 46.02 43.76 1bka n GLY 540 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bka n ASP 541 N -2.41 2.98 -3.86 1.61 8.00 -0.71 -4.64 116.55 117.52 1bka n ASP 541 Ca 0.02 -0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.22 1bka n ASP 541 Cb 0.15 1.10 -0.11 0.00 -0.02 0.00 0.00 41.12 42.24 1bka n ASP 541 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bka s VAL 542 N -1.93 0.05 0.01 2.53 0.11 -1.21 -4.37 120.40 115.58 1bka s VAL 542 Ca -0.00 -0.40 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 1bka s VAL 542 Cb 0.02 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1bka s VAL 542 CO 0.13 -0.22 -0.17 0.00 -3.33 0.00 0.00 175.10 171.52 1bka s ALA 543 N -0.73 1.40 -0.41 1.54 0.00 -0.35 -1.55 121.76 121.66 1bka s ALA 543 Ca -0.08 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 1bka s ALA 543 Cb -0.05 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.84 1bka s ALA 543 CO 0.01 0.32 0.25 -0.06 0.00 0.00 0.00 175.76 176.28 1bka s PHE 544 N -0.54 3.36 0.00 0.00 0.08 -0.62 -1.72 117.98 118.54 1bka s PHE 544 Ca 0.06 -1.62 0.00 0.00 0.12 0.00 0.00 56.93 55.49 1bka s PHE 544 Cb -0.07 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1bka s PHE 544 CO 0.00 -0.86 0.00 1.33 -0.10 0.00 0.00 175.22 175.59 1bka n VAL 545 N 4.88 0.00 -3.88 -0.44 0.24 -1.11 -3.67 118.33 114.35 1bka n VAL 545 Ca -0.09 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.98 1bka n VAL 545 Cb 0.43 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.75 1bka n VAL 545 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1bka s LYS 546 N 0.42 2.42 0.39 7.34 -2.85 -1.26 -1.15 119.74 125.04 1bka s LYS 546 Ca 0.00 -1.62 0.21 0.00 -1.00 0.00 0.00 55.97 53.57 1bka s LYS 546 Cb 0.00 -2.22 0.47 0.00 -2.06 0.00 0.00 37.83 34.02 1bka s LYS 546 CO 0.00 -0.08 1.63 0.38 0.10 0.00 0.00 175.35 177.39 1bka h ASP 547 N 1.29 0.00 -0.09 0.03 2.03 -1.89 -3.09 116.42 114.70 1bka h ASP 547 Ca -0.43 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.90 1bka h ASP 547 Cb 1.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1bka h ASP 547 CO 0.63 0.24 0.08 -0.37 -1.03 0.00 0.00 179.24 178.79 1bka h VAL 548 N 0.00 0.70 -0.50 4.15 -1.51 -1.96 -1.75 116.25 115.37 1bka h VAL 548 Ca -0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.53 1bka h VAL 548 Cb 1.04 0.94 -0.06 0.00 -2.13 0.00 0.00 31.29 31.08 1bka h VAL 548 CO 0.03 0.00 0.19 0.74 -1.23 0.00 0.00 177.57 177.30 1bka h THR 549 N 0.00 0.84 0.30 7.19 2.02 -1.93 0.17 112.91 121.51 1bka h THR 549 Ca 0.04 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1bka h THR 549 Cb 0.21 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1bka h THR 549 CO -0.00 0.07 -0.15 0.58 0.37 0.00 0.00 175.52 176.39 1bka h VAL 550 N 0.37 0.62 -0.12 3.16 2.07 -1.50 -2.74 116.25 118.10 1bka h VAL 550 Ca 0.24 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1bka h VAL 550 Cb 0.25 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1bka h VAL 550 CO -0.24 0.13 -0.33 -0.07 0.02 0.00 0.00 177.57 177.08 1bka h LEU 551 N -0.86 -1.07 -1.58 2.57 4.07 -1.25 0.78 115.31 117.97 1bka h LEU 551 Ca -0.04 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1bka h LEU 551 Cb 0.52 0.42 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1bka h LEU 551 CO 0.07 -0.28 0.37 1.56 -1.08 0.00 0.00 178.44 179.07 1bka h GLN 552 N -0.33 0.00 -0.11 1.13 4.20 -0.77 -2.03 115.11 117.19 1bka h GLN 552 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1bka h GLN 552 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1bka h GLN 552 CO -0.29 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 177.96 1bka n ASN 553 N -2.64 2.64 -4.20 1.46 3.02 0.20 -4.01 115.26 111.72 1bka n ASN 553 Ca -0.02 -2.53 -0.12 0.00 -0.03 0.00 0.00 54.58 51.89 1bka n ASN 553 Cb 0.40 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1bka n ASN 553 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bka s THR 554 N -1.92 0.65 -0.76 3.41 -4.23 -0.76 -4.54 115.64 107.47 1bka s THR 554 Ca 0.22 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1bka s THR 554 Cb 0.17 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 72.11 1bka s THR 554 CO 0.06 -0.68 0.64 0.47 -0.54 0.00 0.00 174.62 174.57 1bka n ASP 555 N -0.13 -2.87 0.00 3.99 8.00 -0.77 -2.51 116.55 122.26 1bka n ASP 555 Ca -0.09 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 54.98 1bka n ASP 555 Cb 0.62 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 1bka n ASP 555 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bka n GLY 556 N -1.15 0.67 0.33 0.44 0.00 -1.26 -4.69 105.19 99.53 1bka n GLY 556 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.06 1bka n GLY 556 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1bka h ASN 557 N 0.00 0.00 -3.37 1.61 2.35 -1.75 -3.37 115.58 111.05 1bka h ASN 557 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 1bka h ASN 557 Cb 0.00 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.02 1bka h ASN 557 CO 0.00 0.00 -0.79 0.21 -1.65 0.00 0.00 177.43 175.20 1bka s ASN 558 N -5.50 1.52 -0.57 5.81 3.84 -1.26 -4.78 114.94 114.01 1bka s ASN 558 Ca -0.05 -0.21 0.02 0.00 0.21 0.00 0.00 52.86 52.83 1bka s ASN 558 Cb 0.14 -0.64 0.41 0.00 -0.55 0.00 0.00 41.25 40.60 1bka s ASN 558 CO 0.46 -0.06 1.52 0.59 -2.79 0.00 0.00 177.10 176.82 1bka n ASN 559 N 4.28 5.98 -4.31 -4.21 4.13 -1.26 -3.51 115.26 116.36 1bka n ASN 559 Ca -0.20 -3.77 -0.34 0.00 1.68 0.00 0.00 54.58 51.95 1bka n ASN 559 Cb 0.51 -0.69 -0.14 0.00 -1.54 0.00 0.00 39.78 37.91 1bka n ASN 559 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1bka s GLU 560 N -3.75 3.35 0.18 3.52 2.12 -1.26 -4.93 118.70 117.93 1bka s GLU 560 Ca 0.52 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 55.09 1bka s GLU 560 Cb 0.43 -2.87 0.23 0.00 0.26 0.00 0.00 34.13 32.18 1bka s GLU 560 CO -0.20 -0.08 1.13 0.00 -0.54 0.00 0.00 175.26 175.56 1bka n ALA 561 N 4.42 0.00 -0.30 6.30 0.00 -1.26 0.14 120.51 129.81 1bka n ALA 561 Ca -0.18 0.75 0.13 0.00 0.00 0.00 0.00 53.44 54.14 1bka n ALA 561 Cb 0.51 -0.38 0.30 0.00 0.00 0.00 0.00 19.45 19.88 1bka n ALA 561 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1bka h TRP 562 N 0.00 0.47 0.00 0.00 5.08 -1.96 -0.57 115.95 118.97 1bka h TRP 562 Ca 0.29 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.30 1bka h TRP 562 Cb 0.47 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 1bka h TRP 562 CO -0.61 -0.15 -0.73 0.00 -1.28 0.00 0.00 178.44 175.67 1bka n ALA 563 N -2.61 3.44 -0.27 0.11 0.00 0.36 -4.63 120.51 116.91 1bka n ALA 563 Ca 0.22 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1bka n ALA 563 Cb 0.68 -1.06 0.16 0.00 0.00 0.00 0.00 19.45 19.23 1bka n ALA 563 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1bka h LYS 564 N 0.00 0.06 -0.00 0.00 2.10 0.67 -3.19 116.57 116.21 1bka h LYS 564 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bka h LYS 564 Cb 0.63 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1bka h LYS 564 CO 0.00 0.04 -0.73 -0.25 -2.00 0.00 0.00 179.45 176.52 1bka n ASP 565 N -5.41 0.98 -4.68 7.07 8.00 -1.26 -4.05 116.55 117.20 1bka n ASP 565 Ca 0.14 -0.83 -0.40 0.00 0.71 0.00 0.00 54.79 54.41 1bka n ASP 565 Cb 0.49 0.64 0.02 0.00 -0.02 0.00 0.00 41.12 42.25 1bka n ASP 565 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1bka n LEU 566 N -1.25 3.95 -4.12 0.64 4.77 -1.21 -4.88 117.00 114.91 1bka n LEU 566 Ca 0.06 1.04 -0.19 0.00 -0.03 0.00 0.00 56.01 56.88 1bka n LEU 566 Cb 0.35 -1.47 -0.13 0.00 -2.33 0.00 0.00 43.42 39.83 1bka n LEU 566 CO 0.37 -0.93 -0.46 -0.54 -1.33 0.00 0.00 177.39 174.51 1bka s LYS 567 N -2.34 0.88 0.29 3.23 -0.14 -1.26 -1.85 119.74 118.56 1bka s LYS 567 Ca 0.65 -0.70 0.05 0.00 -1.36 0.00 0.00 55.97 54.61 1bka s LYS 567 Cb -0.49 -0.87 0.71 0.00 -1.68 0.00 0.00 37.83 35.49 1bka s LYS 567 CO 0.55 0.22 1.76 1.25 -0.76 0.00 0.00 175.35 178.37 1bka h LEU 568 N 5.05 0.69 0.00 3.17 5.85 -1.94 -2.59 115.31 125.54 1bka h LEU 568 Ca -0.37 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1bka h LEU 568 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1bka h LEU 568 CO 0.44 0.23 0.01 0.00 -0.34 0.00 0.00 178.44 178.79 1bka n ALA 569 N -2.36 1.25 0.80 1.25 0.00 -1.26 -1.44 120.51 118.76 1bka n ALA 569 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.76 1bka n ALA 569 Cb 0.56 -0.92 0.07 0.00 0.00 0.00 0.00 19.45 19.17 1bka n ALA 569 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bka n ASP 570 N -1.09 2.50 -4.50 0.00 8.00 -0.98 -4.83 116.55 115.66 1bka n ASP 570 Ca 0.00 -1.75 -0.25 0.00 0.71 0.00 0.00 54.79 53.50 1bka n ASP 570 Cb 0.01 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 1bka n ASP 570 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bka s PHE 571 N -1.67 2.42 0.11 1.24 0.08 -0.52 0.23 117.98 119.86 1bka s PHE 571 Ca 0.22 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 56.83 1bka s PHE 571 Cb 0.16 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.51 1bka s PHE 571 CO 0.27 0.60 0.33 0.00 -0.10 0.00 0.00 175.22 176.32 1bka s ALA 572 N -2.09 -0.71 -0.05 5.36 0.00 -0.27 -4.40 121.76 119.60 1bka s ALA 572 Ca 0.27 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1bka s ALA 572 Cb -0.07 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1bka s ALA 572 CO 0.14 -0.58 -0.08 -0.51 0.00 0.00 0.00 175.76 174.73 1bka s LEU 573 N -2.74 3.11 -0.22 0.00 1.43 0.18 -1.82 118.68 118.62 1bka s LEU 573 Ca 0.03 -0.06 -0.20 0.00 -1.03 0.00 0.00 54.13 52.86 1bka s LEU 573 Cb 0.02 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 1bka s LEU 573 CO -0.11 0.35 0.61 -0.76 0.23 0.00 0.00 176.35 176.67 1bka s LEU 574 N -0.89 4.12 0.34 1.79 1.02 -0.85 -1.46 118.68 122.75 1bka s LEU 574 Ca 0.13 0.76 -0.04 0.00 0.02 0.00 0.00 54.13 55.01 1bka s LEU 574 Cb -0.11 -2.85 -0.05 0.00 0.02 0.00 0.00 46.19 43.21 1bka s LEU 574 CO 0.02 -0.29 0.60 0.00 0.02 0.00 0.00 176.35 176.70 1bka h LEU 576 N 1.20 0.00 0.00 0.00 3.38 -1.88 -2.11 115.31 115.91 1bka h LEU 576 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1bka h LEU 576 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1bka h LEU 576 CO 0.64 0.11 0.00 -0.90 0.09 0.00 0.00 178.44 178.38 1bka n ASP 577 N -3.61 0.00 0.00 -0.43 5.68 -1.26 -4.81 116.55 112.11 1bka n ASP 577 Ca -0.02 0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1bka n ASP 577 Cb 0.24 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1bka n ASP 577 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bka n GLY 578 N 0.10 1.15 2.92 6.12 0.00 -0.79 -5.03 105.19 109.66 1bka n GLY 578 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1bka n GLY 578 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bka n LYS 579 N -2.00 -0.67 -4.06 1.61 4.01 -1.26 -4.76 118.16 111.04 1bka n LYS 579 Ca 0.00 -1.70 -0.12 0.00 -0.51 0.00 0.00 58.31 55.97 1bka n LYS 579 Cb 0.00 -0.87 -0.11 0.00 -0.51 0.00 0.00 35.03 33.53 1bka n LYS 579 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1bka s ARG 580 N -4.97 0.53 0.16 1.97 0.52 -1.26 -2.31 118.95 113.58 1bka s ARG 580 Ca 0.55 -0.79 -0.17 0.00 -0.52 0.00 0.00 55.73 54.79 1bka s ARG 580 Cb -0.02 -0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.25 1bka s ARG 580 CO 0.38 0.03 0.47 0.15 0.02 0.00 0.00 175.30 176.35 1bka s LYS 581 N -1.77 1.22 0.43 3.54 1.02 -0.53 -4.94 119.74 118.70 1bka s LYS 581 Ca -0.09 -0.74 -0.20 0.00 0.02 0.00 0.00 55.97 54.96 1bka s LYS 581 Cb -0.09 0.50 -0.10 0.00 -0.52 0.00 0.00 37.83 37.62 1bka s LYS 581 CO -0.00 -0.50 0.92 -2.14 -0.92 0.00 0.00 175.35 172.71 1bka s PRO 582 N -3.83 4.16 0.41 -1.68 0.02 -1.26 0.48 135.00 133.30 1bka s PRO 582 Ca 0.05 1.03 0.16 0.00 0.02 0.00 0.00 61.00 62.27 1bka s PRO 582 Cb 0.00 -2.21 1.04 0.00 0.02 0.00 0.00 34.50 33.35 1bka s PRO 582 CO -0.08 -0.03 1.85 0.28 -0.33 0.00 0.00 177.00 178.68 1bka h VAL 583 N 1.79 0.69 0.00 3.83 2.07 -1.89 0.38 116.25 123.12 1bka h VAL 583 Ca -0.49 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1bka h VAL 583 Cb 1.18 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1bka h VAL 583 CO 0.62 0.08 0.00 0.35 0.02 0.00 0.00 177.57 178.64 1bka n THR 584 N -4.54 0.20 -0.89 2.57 -2.24 -1.26 -1.69 114.28 106.44 1bka n THR 584 Ca 0.20 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 62.11 1bka n THR 584 Cb 0.68 -0.83 0.27 0.00 -2.10 0.00 0.00 70.33 68.35 1bka n THR 584 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bka n GLU 585 N -1.09 3.23 0.17 -0.78 1.02 0.13 -4.62 120.64 118.69 1bka n GLU 585 Ca 0.09 -2.81 0.09 0.00 -0.02 0.00 0.00 57.16 54.51 1bka n GLU 585 Cb 0.07 -1.85 0.50 0.00 -0.02 0.00 0.00 31.44 30.14 1bka n GLU 585 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bka n ALA 586 N -0.19 0.86 -0.07 0.62 0.00 -0.68 -1.09 120.51 119.97 1bka n ALA 586 Ca 0.21 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.69 1bka n ALA 586 Cb 0.89 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1bka n ALA 586 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bka h ARG 587 N 0.00 0.82 -0.47 0.00 9.65 -1.87 -2.55 114.38 119.96 1bka h ARG 587 Ca 0.00 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1bka h ARG 587 Cb 0.26 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1bka h ARG 587 CO 0.00 1.14 0.00 -1.13 2.80 0.00 0.00 179.97 182.78 1bka n SER 588 N -4.00 4.90 -3.01 -3.80 3.41 -0.25 -4.57 113.62 106.29 1bka n SER 588 Ca -0.04 -2.86 -0.16 0.00 -0.26 0.00 0.00 58.87 55.55 1bka n SER 588 Cb 0.61 -0.61 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bka n SER 588 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bka s HIS 590 N -0.81 0.51 0.15 0.00 -0.00 -1.21 -4.60 115.29 109.33 1bka s HIS 590 Ca 0.33 -0.46 -0.16 0.00 -0.00 0.00 0.00 55.06 54.77 1bka s HIS 590 Cb 0.25 -0.32 0.01 0.00 -0.00 0.00 0.00 32.58 32.53 1bka s HIS 590 CO -0.12 -0.11 1.81 -0.07 -0.00 0.00 0.00 174.74 176.25 1bka h LEU 591 N 4.72 0.46 -7.60 5.38 3.38 -1.67 -3.45 115.31 116.53 1bka h LEU 591 Ca -0.34 -0.02 0.21 0.00 0.09 0.00 0.00 57.88 57.83 1bka h LEU 591 Cb 1.20 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1bka h LEU 591 CO 0.42 0.34 0.57 0.00 0.09 0.00 0.00 178.44 179.86 1bka s ALA 592 N -6.14 -1.78 -0.32 1.53 0.00 -1.20 -5.04 121.76 108.81 1bka s ALA 592 Ca -0.13 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 1bka s ALA 592 Cb 0.11 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.83 1bka s ALA 592 CO 0.72 -1.05 0.14 1.41 0.00 0.00 0.00 175.76 176.99 1bka s MET 593 N -2.99 3.13 0.23 0.00 1.75 -1.26 -0.69 119.30 119.47 1bka s MET 593 Ca 0.14 -0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 53.61 1bka s MET 593 Cb -0.00 -3.55 -0.07 0.00 2.84 0.00 0.00 34.83 34.05 1bka s MET 593 CO 0.01 -0.50 0.58 0.00 -0.65 0.00 0.00 175.02 174.47 1bka s ALA 594 N 1.56 3.53 0.30 4.11 0.00 0.26 -4.81 121.76 126.72 1bka s ALA 594 Ca 0.03 -0.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.53 1bka s ALA 594 Cb -0.18 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.34 1bka s ALA 594 CO 0.05 0.47 0.98 -1.25 0.00 0.00 0.00 175.76 176.01 1bka s PRO 595 N -2.66 4.61 0.51 0.00 0.04 -1.26 0.12 135.00 136.37 1bka s PRO 595 Ca 0.46 1.48 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 1bka s PRO 595 Cb -0.12 -2.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 1bka s PRO 595 CO 0.20 0.28 1.19 0.09 0.04 0.00 0.00 177.00 178.80 1bka n ASN 596 N 0.84 1.97 -4.74 6.66 4.13 -1.26 -4.37 115.26 118.50 1bka n ASN 596 Ca 0.01 0.98 -0.36 0.00 1.68 0.00 0.00 54.58 56.88 1bka n ASN 596 Cb 0.48 -1.48 0.06 0.00 -1.54 0.00 0.00 39.78 37.30 1bka n ASN 596 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1bka s HIS 597 N -1.32 2.16 0.07 3.10 3.76 -1.26 -4.62 115.29 117.17 1bka s HIS 597 Ca 0.69 1.51 0.05 0.00 -0.15 0.00 0.00 55.06 57.15 1bka s HIS 597 Cb -0.46 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 29.59 1bka s HIS 597 CO 0.52 -2.69 -0.14 0.00 -0.85 0.00 0.00 174.74 171.58 1bka s ALA 598 N -1.52 1.13 -0.11 -1.40 0.00 -0.83 -0.95 121.76 118.08 1bka s ALA 598 Ca 0.80 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 51.57 1bka s ALA 598 Cb -0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1bka s ALA 598 CO 0.38 0.16 0.66 0.54 0.00 0.00 0.00 175.76 177.50 1bka s VAL 599 N -1.25 5.05 0.17 0.00 0.11 0.28 -0.28 120.40 124.48 1bka s VAL 599 Ca -0.02 1.32 0.07 0.00 -2.93 0.00 0.00 61.98 60.43 1bka s VAL 599 Cb -0.10 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 1bka s VAL 599 CO 0.02 0.21 -0.01 0.68 -3.33 0.00 0.00 175.10 172.67 1bka s VAL 600 N 1.14 3.68 0.33 2.04 -7.23 -0.45 -0.28 120.40 119.63 1bka s VAL 600 Ca 0.34 -1.41 -0.18 0.00 -1.81 0.00 0.00 61.98 58.92 1bka s VAL 600 Cb -0.17 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 33.97 1bka s VAL 600 CO 0.15 -0.09 0.74 -0.55 -0.31 0.00 0.00 175.10 175.03 1bka s SER 601 N -2.87 -0.10 0.85 4.85 0.15 -0.61 -3.32 113.70 112.65 1bka s SER 601 Ca 0.27 -0.89 -0.12 0.00 0.70 0.00 0.00 55.95 55.91 1bka s SER 601 Cb -0.09 0.78 0.10 0.00 -1.71 0.00 0.00 66.02 65.10 1bka s SER 601 CO 0.18 -1.50 1.11 -0.13 1.20 0.00 0.00 173.24 174.10 1bka s ARG 602 N -3.16 1.65 0.14 5.44 0.52 -1.26 -0.33 118.95 121.95 1bka s ARG 602 Ca 0.14 0.53 0.08 0.00 -0.52 0.00 0.00 55.73 55.96 1bka s ARG 602 Cb -0.05 -1.88 -0.17 0.00 0.52 0.00 0.00 34.95 33.37 1bka s ARG 602 CO 0.09 -1.90 1.29 1.98 0.02 0.00 0.00 175.30 176.79 1bka h MET 603 N -1.29 0.00 0.00 3.54 4.05 -1.94 -3.19 114.93 116.11 1bka h MET 603 Ca -0.49 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1bka h MET 603 Cb 1.29 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1bka h MET 603 CO 0.60 0.91 -0.02 0.38 0.23 0.00 0.00 176.91 179.01 1bka h ASP 604 N 0.00 0.00 -0.43 1.39 3.04 -2.00 -3.06 116.42 115.36 1bka h ASP 604 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1bka h ASP 604 Cb 1.72 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.01 1bka h ASP 604 CO 0.12 0.02 0.00 1.17 -2.04 0.00 0.00 179.24 178.51 1bka n LYS 605 N -4.45 2.46 0.25 4.15 3.00 -1.21 -4.79 118.16 117.57 1bka n LYS 605 Ca -0.03 -2.22 -0.15 0.00 -0.00 0.00 0.00 58.31 55.92 1bka n LYS 605 Cb 0.10 -1.44 -0.08 0.00 0.00 0.00 0.00 35.03 33.62 1bka n LYS 605 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1bka h VAL 606 N 3.59 0.00 -0.54 3.15 2.07 -1.62 -2.47 116.25 120.44 1bka h VAL 606 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1bka h VAL 606 Cb 0.87 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1bka h VAL 606 CO 0.00 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.38 1bka h GLU 607 N -0.82 0.25 -0.72 1.57 4.39 -1.86 0.27 114.58 117.65 1bka h GLU 607 Ca -0.06 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1bka h GLU 607 Cb 0.70 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1bka h GLU 607 CO -0.02 0.17 0.48 -0.09 -1.16 0.00 0.00 179.01 178.38 1bka h ARG 608 N 0.26 0.94 -0.88 2.33 9.65 -1.90 -1.47 114.38 123.31 1bka h ARG 608 Ca 0.28 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 1bka h ARG 608 Cb 0.38 -0.21 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 1bka h ARG 608 CO -0.35 0.62 0.57 1.25 2.80 0.00 0.00 179.97 184.87 1bka h LEU 609 N 0.97 1.01 -0.39 3.80 5.85 -0.74 -0.81 115.31 125.01 1bka h LEU 609 Ca 0.27 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1bka h LEU 609 Cb -0.10 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 40.59 1bka h LEU 609 CO -0.06 0.74 -0.29 0.50 -0.34 0.00 0.00 178.44 178.99 1bka h LYS 610 N 1.19 -0.21 0.02 1.25 1.63 0.54 -0.75 116.57 120.24 1bka h LYS 610 Ca 0.32 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1bka h LYS 610 Cb -0.12 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1bka h LYS 610 CO -0.07 -0.14 -0.03 1.96 -3.45 0.00 0.00 179.45 177.72 1bka h GLN 611 N -0.22 -0.05 -0.88 1.90 4.20 -1.12 0.64 115.11 119.58 1bka h GLN 611 Ca 0.18 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.13 1bka h GLN 611 Cb 0.51 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.16 1bka h GLN 611 CO -0.51 -0.03 0.26 0.28 -0.67 0.00 0.00 178.83 178.15 1bka h VAL 612 N -0.05 0.33 -0.04 -0.54 2.07 -1.06 0.14 116.25 117.09 1bka h VAL 612 Ca -0.00 -0.08 -0.18 0.00 0.82 0.00 0.00 66.70 67.26 1bka h VAL 612 Cb 0.05 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1bka h VAL 612 CO -0.01 0.04 -0.68 -0.07 0.02 0.00 0.00 177.57 176.88 1bka h LEU 613 N 0.23 0.66 -1.67 2.57 3.38 -1.00 0.19 115.31 119.67 1bka h LEU 613 Ca 0.56 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1bka h LEU 613 Cb 1.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1bka h LEU 613 CO -0.64 1.28 -0.12 -0.07 0.09 0.00 0.00 178.44 178.98 1bka h LEU 614 N 0.09 0.06 0.16 1.67 3.38 0.18 -1.71 115.31 119.14 1bka h LEU 614 Ca -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1bka h LEU 614 Cb 1.35 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1bka h LEU 614 CO 0.14 0.19 -0.08 -0.74 0.09 0.00 0.00 178.44 178.04 1bka h HIS 615 N 0.06 -0.20 -1.01 1.13 2.76 -0.82 -3.30 115.15 113.77 1bka h HIS 615 Ca 0.01 -0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.43 1bka h HIS 615 Cb 0.25 0.07 -0.09 0.00 1.55 0.00 0.00 27.41 29.19 1bka h HIS 615 CO 0.00 -0.02 0.65 1.96 -1.30 0.00 0.00 177.93 179.22 1bka h GLN 616 N -1.04 0.41 0.00 5.26 1.08 -0.76 -0.88 115.11 119.18 1bka h GLN 616 Ca -0.02 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1bka h GLN 616 Cb 0.26 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1bka h GLN 616 CO 0.04 0.27 -0.15 -0.56 -0.95 0.00 0.00 178.83 177.47 1bka h GLN 617 N 0.42 0.00 -0.26 1.46 3.07 -1.44 0.75 115.11 119.10 1bka h GLN 617 Ca 0.57 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.24 1bka h GLN 617 Cb 1.41 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.95 1bka h GLN 617 CO -0.27 0.15 -0.14 0.00 0.09 0.00 0.00 178.83 178.66 1bka h ALA 618 N 1.85 1.27 0.02 0.06 0.00 -1.23 0.51 119.26 121.73 1bka h ALA 618 Ca -0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 54.91 54.25 1bka h ALA 618 Cb 0.76 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1bka h ALA 618 CO 0.02 0.48 -2.20 1.63 0.00 0.00 0.00 179.25 179.18 1bka n LYS 619 N -4.20 0.62 -0.10 0.00 5.02 -0.97 -1.29 118.16 117.23 1bka n LYS 619 Ca 0.00 0.30 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 1bka n LYS 619 Cb 0.32 -1.58 0.13 0.00 -0.02 0.00 0.00 35.03 33.89 1bka n LYS 619 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1bka n PHE 620 N -3.95 0.27 -0.69 2.13 3.72 0.26 -0.61 117.46 118.59 1bka n PHE 620 Ca -0.45 -0.19 -0.31 0.00 -0.05 0.00 0.00 57.45 56.46 1bka n PHE 620 Cb 0.89 -0.01 0.27 0.00 -0.94 0.00 0.00 39.48 39.70 1bka n PHE 620 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bka s GLY 621 N -1.28 1.49 0.21 1.37 0.00 0.17 0.33 107.32 109.61 1bka s GLY 621 Ca 0.26 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.94 1bka s GLY 621 CO 0.23 0.04 1.76 -0.09 0.00 0.00 0.00 173.10 175.03 1bka h ARG 622 N -3.12 0.44 -1.12 2.90 1.12 -1.80 -2.57 114.38 110.25 1bka h ARG 622 Ca -0.42 -0.03 -0.47 0.00 -1.11 0.00 0.00 59.98 57.95 1bka h ARG 622 Cb 1.31 -0.10 -0.41 0.00 -0.01 0.00 0.00 29.97 30.76 1bka h ARG 622 CO 0.28 0.29 -0.94 -1.71 -3.11 0.00 0.00 179.97 174.78 1bka n ASN 623 N -4.95 3.31 -4.61 -3.80 5.15 -1.26 -4.96 115.26 104.13 1bka n ASN 623 Ca 0.08 -3.20 -0.31 0.00 -0.60 0.00 0.00 54.58 50.56 1bka n ASN 623 Cb 0.25 -0.47 -0.09 0.00 -0.53 0.00 0.00 39.78 38.93 1bka n ASN 623 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1bka s GLY 624 N -3.44 1.82 0.00 8.20 0.00 -0.97 -4.99 107.32 107.94 1bka s GLY 624 Ca 0.39 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1bka s GLY 624 CO -0.06 -1.09 0.03 -1.26 0.00 0.00 0.00 173.10 170.71 1bka n SER 625 N 0.90 0.00 -0.09 1.64 2.88 -0.41 -0.78 113.62 117.76 1bka n SER 625 Ca -0.13 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1bka n SER 625 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1bka n SER 625 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1bka n ASP 626 N -0.46 0.12 -4.15 -3.46 9.92 0.22 -4.65 116.55 114.10 1bka n ASP 626 Ca 0.00 -1.38 -0.33 0.00 -0.53 0.00 0.00 54.79 52.55 1bka n ASP 626 Cb 0.00 -0.06 -0.15 0.00 -0.64 0.00 0.00 41.12 40.27 1bka n ASP 626 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bka n PRO 628 N 4.61 3.13 -0.05 0.00 -0.04 -1.26 -4.52 135.00 136.86 1bka n PRO 628 Ca -0.18 -3.99 -0.09 0.00 -0.04 0.00 0.00 63.50 59.21 1bka n PRO 628 Cb 0.47 -2.26 -0.08 0.00 -0.04 0.00 0.00 33.50 31.59 1bka n PRO 628 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1bka h ASP 629 N 2.63 -0.02 0.00 3.54 3.32 -1.71 -3.43 116.42 120.75 1bka h ASP 629 Ca 0.44 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1bka h ASP 629 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1bka h ASP 629 CO 1.13 0.76 -0.33 0.11 -1.72 0.00 0.00 179.24 179.19 1bka h LYS 630 N -0.98 0.00 -1.70 3.56 1.57 0.84 -3.51 116.57 116.35 1bka h LYS 630 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1bka h LYS 630 Cb 0.59 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.65 1bka h LYS 630 CO 0.00 0.00 0.37 0.12 -0.57 0.00 0.00 179.45 179.37 1bka s PHE 631 N -1.90 -0.56 -0.22 -1.35 5.36 0.14 -4.98 117.98 114.48 1bka s PHE 631 Ca -0.09 1.36 -0.06 0.00 -0.96 0.00 0.00 56.93 57.18 1bka s PHE 631 Cb 0.01 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 43.01 1bka s PHE 631 CO 0.14 -0.27 0.02 0.00 -1.46 0.00 0.00 175.22 173.66 1bka h LEU 633 N 7.73 0.49 -3.11 0.00 5.85 0.51 -3.27 115.31 123.50 1bka h LEU 633 Ca -0.37 -0.45 -0.24 0.00 0.84 0.00 0.00 57.88 57.65 1bka h LEU 633 Cb 1.18 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.95 1bka h LEU 633 CO 0.60 0.84 0.31 0.49 -0.34 0.00 0.00 178.44 180.34 1bka n PHE 634 N -4.49 1.28 -3.69 1.25 3.72 -1.26 -4.78 117.46 109.50 1bka n PHE 634 Ca -0.05 -1.44 -0.14 0.00 -0.05 0.00 0.00 57.45 55.76 1bka n PHE 634 Cb 0.37 -0.71 -0.14 0.00 -0.94 0.00 0.00 39.48 38.06 1bka n PHE 634 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1bka s GLN 635 N -1.45 0.11 0.00 -1.08 2.00 -1.24 -4.08 119.66 113.92 1bka s GLN 635 Ca 0.25 0.60 0.00 0.00 -2.00 0.00 0.00 55.36 54.20 1bka s GLN 635 Cb 0.20 -0.15 0.00 0.00 0.80 0.00 0.00 33.01 33.86 1bka s GLN 635 CO 0.02 -0.25 0.00 0.43 -0.50 0.00 0.00 175.29 174.99 1bka n SER 636 N 4.99 3.37 -1.86 6.67 7.64 -1.26 -4.83 113.62 128.34 1bka n SER 636 Ca -0.12 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.75 1bka n SER 636 Cb 0.51 0.30 -0.01 0.00 -1.01 0.00 0.00 64.21 64.00 1bka n SER 636 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1bka n GLU 637 N -1.61 -1.30 -0.68 1.43 0.00 -1.26 -4.59 120.64 112.63 1bka n GLU 637 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 57.16 58.50 1bka n GLU 637 Cb 0.35 -2.31 0.00 0.00 0.00 0.00 0.00 31.44 29.47 1bka n GLU 637 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1bka n THR 638 N 0.40 0.00 0.37 3.84 -2.24 -1.26 -4.70 114.28 110.69 1bka n THR 638 Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 1bka n THR 638 Cb 0.12 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1bka n THR 638 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1bka n LYS 639 N 0.12 0.42 -4.17 -0.78 4.76 -1.26 -4.63 118.16 112.62 1bka n LYS 639 Ca 0.00 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 1bka n LYS 639 Cb 0.28 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1bka n LYS 639 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bka n ASN 640 N -2.19 -1.40 -4.77 4.39 3.02 -1.26 -4.90 115.26 108.16 1bka n ASN 640 Ca 0.01 -1.08 -0.40 0.00 -0.03 0.00 0.00 54.58 53.08 1bka n ASN 640 Cb 0.48 -2.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.07 1bka n ASN 640 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bka s LEU 641 N -7.18 4.39 0.00 3.41 1.02 -1.26 -3.89 118.68 115.17 1bka s LEU 641 Ca 0.36 2.57 0.00 0.00 0.02 0.00 0.00 54.13 57.08 1bka s LEU 641 Cb -0.20 -3.72 0.00 0.00 0.02 0.00 0.00 46.19 42.28 1bka s LEU 641 CO 0.94 -0.52 0.00 0.18 0.02 0.00 0.00 176.35 176.96 1bka n LEU 642 N 0.69 0.00 -4.18 1.79 4.77 -1.26 -4.69 117.00 114.12 1bka n LEU 642 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 1bka n LEU 642 Cb 0.43 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1bka n LEU 642 CO 0.57 0.00 -0.27 -0.36 -1.33 0.00 0.00 177.39 176.00 1bka s PHE 643 N 0.00 1.04 0.11 -1.77 0.40 -1.25 -4.36 117.98 112.15 1bka s PHE 643 Ca 0.00 -1.30 -0.25 0.00 -0.60 0.00 0.00 56.93 54.78 1bka s PHE 643 Cb 0.00 -0.54 -0.07 0.00 0.51 0.00 0.00 43.02 42.92 1bka s PHE 643 CO 0.00 -0.56 0.78 -0.80 0.70 0.00 0.00 175.22 175.34 1bka s ASN 644 N -3.12 7.32 0.55 1.36 0.01 -1.26 -4.50 114.94 115.31 1bka s ASN 644 Ca 0.32 1.57 0.32 0.00 -0.71 0.00 0.00 52.86 54.36 1bka s ASN 644 Cb 0.07 -2.49 1.76 0.00 0.41 0.00 0.00 41.25 41.00 1bka s ASN 644 CO 0.07 0.11 1.98 0.44 -1.51 0.00 0.00 177.10 178.19 1bka h ASP 645 N 4.98 0.00 -0.63 -1.22 3.32 -1.87 0.21 116.42 121.21 1bka h ASP 645 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1bka h ASP 645 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1bka h ASP 645 CO 0.68 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.74 1bka n ASN 646 N -2.73 3.74 -4.68 6.45 6.94 -1.26 -4.70 115.26 119.02 1bka n ASN 646 Ca -0.02 -1.99 -0.42 0.00 -0.02 0.00 0.00 54.58 52.12 1bka n ASN 646 Cb 0.17 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 1bka n ASN 646 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1bka s THR 647 N -1.07 3.30 0.04 5.53 2.01 0.75 -4.42 115.64 121.79 1bka s THR 647 Ca 0.44 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 62.93 1bka s THR 647 Cb 0.23 -3.43 -0.23 0.00 0.01 0.00 0.00 72.50 69.09 1bka s THR 647 CO 0.31 -0.02 1.15 -0.08 -0.69 0.00 0.00 174.62 175.29 1bka h GLU 648 N 8.51 0.57 0.00 4.92 4.81 0.32 -3.45 114.58 130.27 1bka h GLU 648 Ca -0.41 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.21 1bka h GLU 648 Cb 1.19 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1bka h GLU 648 CO 0.93 1.22 0.00 0.00 -0.73 0.00 0.00 179.01 180.43 1bka s LEU 650 N 0.00 3.98 0.10 0.00 1.43 -1.26 -0.01 118.68 122.92 1bka s LEU 650 Ca 0.00 -1.57 0.03 0.00 -1.03 0.00 0.00 54.13 51.57 1bka s LEU 650 Cb 0.00 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1bka s LEU 650 CO 0.00 -0.27 0.10 0.00 0.23 0.00 0.00 176.35 176.41 1bka s ALA 651 N 1.10 3.59 0.60 4.21 0.00 0.09 -4.61 121.76 126.74 1bka s ALA 651 Ca -0.03 -1.06 -0.18 0.00 0.00 0.00 0.00 51.96 50.69 1bka s ALA 651 Cb -0.20 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 1bka s ALA 651 CO -0.05 0.68 0.77 0.54 0.00 0.00 0.00 175.76 177.70 1bka n ARG 652 N 0.20 0.69 0.08 0.00 1.74 0.34 -1.58 116.66 118.13 1bka n ARG 652 Ca -0.08 0.27 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 1bka n ARG 652 Cb 0.52 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 1bka n ARG 652 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1bka h LEU 653 N 0.31 0.41 0.60 0.55 3.38 -1.88 -3.45 115.31 115.23 1bka h LEU 653 Ca -0.47 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 56.99 1bka h LEU 653 Cb 1.38 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.02 1bka h LEU 653 CO 0.49 1.15 -0.24 1.41 0.09 0.00 0.00 178.44 181.34 1bka n HIS 654 N -3.69 -0.65 -0.11 1.13 8.25 -1.26 -3.65 115.22 115.24 1bka n HIS 654 Ca -0.06 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1bka n HIS 654 Cb 0.84 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 29.58 1bka n HIS 654 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bka n GLY 655 N -1.04 2.06 3.55 -1.41 0.00 -1.26 -4.97 105.19 102.12 1bka n GLY 655 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1bka n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bka s LYS 656 N -0.24 3.94 -0.28 1.61 -0.14 -1.24 -4.71 119.74 118.68 1bka s LYS 656 Ca 0.00 -1.98 0.11 0.00 -1.36 0.00 0.00 55.97 52.75 1bka s LYS 656 Cb 0.00 -5.41 0.47 0.00 -1.68 0.00 0.00 37.83 31.21 1bka s LYS 656 CO 0.00 -2.15 1.17 0.25 -0.76 0.00 0.00 175.35 173.86 1bka n THR 657 N 6.11 2.17 -3.83 2.17 -2.24 -1.26 -4.21 114.28 113.19 1bka n THR 657 Ca 0.44 -3.81 -0.13 0.00 -2.27 0.00 0.00 64.05 58.28 1bka n THR 657 Cb 0.46 -0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 1bka n THR 657 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1bka s THR 658 N -4.29 -0.02 0.60 4.28 -1.32 -1.26 -4.54 115.64 109.09 1bka s THR 658 Ca 0.44 0.07 0.29 0.00 -1.21 0.00 0.00 61.69 61.28 1bka s THR 658 Cb 0.39 -0.05 0.41 0.00 -1.51 0.00 0.00 72.50 71.73 1bka s THR 658 CO 0.01 0.03 1.58 0.10 -2.21 0.00 0.00 174.62 174.13 1bka h TYR 659 N 6.51 0.00 0.15 9.09 -0.00 -1.88 -0.37 116.97 130.47 1bka h TYR 659 Ca -0.31 0.00 -0.25 0.00 -0.00 0.00 0.00 58.73 58.17 1bka h TYR 659 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.92 1bka h TYR 659 CO 0.44 0.00 -1.19 0.93 -0.00 0.00 0.00 178.16 178.34 1bka h GLU 660 N 0.00 0.31 -0.12 0.10 5.08 -1.95 -2.24 114.58 115.76 1bka h GLU 660 Ca 0.39 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1bka h GLU 660 Cb 2.20 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.65 1bka h GLU 660 CO -0.00 1.26 0.03 0.87 -1.00 0.00 0.00 179.01 180.16 1bka h LYS 661 N -0.25 0.19 0.12 2.33 1.57 -1.52 -0.99 116.57 118.02 1bka h LYS 661 Ca -0.23 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1bka h LYS 661 Cb 1.78 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.05 1bka h LYS 661 CO 0.13 0.37 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.32 1bka h TYR 662 N -0.02 -0.36 0.07 -1.35 3.20 -1.25 -3.31 116.97 113.95 1bka h TYR 662 Ca 0.04 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.71 1bka h TYR 662 Cb 0.26 0.15 0.02 0.00 1.54 0.00 0.00 36.73 38.70 1bka h TYR 662 CO 0.01 -0.21 -0.81 -0.07 -1.64 0.00 0.00 178.16 175.44 1bka h LEU 663 N -0.30 0.59 0.00 2.82 3.38 -1.49 -3.50 115.31 116.82 1bka h LEU 663 Ca 0.01 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1bka h LEU 663 Cb 0.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1bka h LEU 663 CO -0.05 1.36 0.00 0.61 0.09 0.00 0.00 178.44 180.45 1bka n GLY 664 N 1.32 2.49 0.32 0.83 0.00 -0.37 -4.41 105.19 105.37 1bka n GLY 664 Ca -0.12 -1.62 0.18 0.00 0.00 0.00 0.00 46.02 44.46 1bka n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bka h PRO 665 N 0.00 0.16 0.48 1.61 0.13 -1.91 0.94 132.00 133.42 1bka h PRO 665 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1bka h PRO 665 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1bka h PRO 665 CO 0.00 0.11 -0.23 0.37 -0.23 0.00 0.00 178.00 178.01 1bka h GLN 666 N 0.17 -0.63 -0.64 0.86 5.75 -1.96 0.66 115.11 119.32 1bka h GLN 666 Ca 0.64 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 59.19 1bka h GLN 666 Cb 1.40 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 30.05 1bka h GLN 666 CO -0.71 -0.42 0.42 -0.92 -2.65 0.00 0.00 178.83 174.55 1bka h TYR 667 N -0.90 0.79 -0.23 3.99 3.20 -1.59 -0.71 116.97 121.53 1bka h TYR 667 Ca -0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1bka h TYR 667 Cb 0.50 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1bka h TYR 667 CO 0.04 0.49 0.14 0.28 -1.64 0.00 0.00 178.16 177.47 1bka h VAL 668 N 0.85 1.09 -0.50 1.81 2.07 0.85 -1.14 116.25 121.28 1bka h VAL 668 Ca 0.24 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1bka h VAL 668 Cb -0.07 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 1bka h VAL 668 CO -0.06 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 177.51 1bka h ALA 669 N 1.04 0.36 -0.01 1.67 0.00 -0.20 -2.66 119.26 119.47 1bka h ALA 669 Ca 0.08 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1bka h ALA 669 Cb 0.02 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1bka h ALA 669 CO -0.02 -0.43 -0.12 0.78 0.00 0.00 0.00 179.25 179.46 1bka h GLY 670 N 0.02 -0.14 0.84 0.00 0.00 -0.70 -2.00 103.07 101.09 1bka h GLY 670 Ca 0.24 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1bka h GLY 670 CO -0.50 -0.13 0.37 -2.22 0.00 0.00 0.00 176.54 174.06 1bka h ILE 671 N -0.20 1.05 -0.14 2.60 2.04 -0.94 -2.62 117.51 119.30 1bka h ILE 671 Ca 0.05 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1bka h ILE 671 Cb 0.26 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 1bka h ILE 671 CO -0.13 0.13 -0.39 0.74 0.00 0.00 0.00 178.15 178.51 1bka h THR 672 N 0.71 0.00 -0.84 -0.27 2.02 -1.15 0.68 112.91 114.06 1bka h THR 672 Ca 0.25 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.64 1bka h THR 672 Cb 0.05 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.31 1bka h THR 672 CO -0.12 0.00 0.07 0.78 0.37 0.00 0.00 175.52 176.63 1bka h ASN 673 N -0.38 -0.28 -0.24 4.18 2.35 -1.05 -1.14 115.58 119.01 1bka h ASN 673 Ca 0.03 0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 1bka h ASN 673 Cb 0.47 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1bka h ASN 673 CO -0.34 -0.21 -0.37 -0.07 -1.65 0.00 0.00 177.43 174.80 1bka h LEU 674 N 0.12 0.83 -1.50 1.61 3.38 -0.77 -2.51 115.31 116.47 1bka h LEU 674 Ca 0.49 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1bka h LEU 674 Cb 0.93 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1bka h LEU 674 CO -0.72 1.11 0.00 0.11 0.09 0.00 0.00 178.44 179.03 1bka h LYS 675 N 0.64 0.00 -0.20 1.13 1.79 0.15 -3.04 116.57 117.05 1bka h LYS 675 Ca 0.06 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1bka h LYS 675 Cb 0.92 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1bka h LYS 675 CO 0.08 0.00 0.05 0.87 -1.08 0.00 0.00 179.45 179.37 1bka h LYS 676 N 0.00 0.28 0.00 3.15 1.79 -0.98 -2.28 116.57 118.54 1bka h LYS 676 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1bka h LYS 676 Cb 0.15 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1bka h LYS 676 CO 0.00 0.27 0.00 0.00 -1.08 0.00 0.00 179.45 178.64 1bka n SER 678 N -2.62 0.00 -4.37 0.00 3.41 -0.86 -5.07 113.62 104.11 1bka n SER 678 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.42 1bka n SER 678 Cb 0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1bka n SER 678 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1bka s THR 679 N -1.64 1.92 0.57 6.66 -1.32 -1.20 -4.49 115.64 116.15 1bka s THR 679 Ca 0.00 -2.21 -0.17 0.00 -1.21 0.00 0.00 61.69 58.10 1bka s THR 679 Cb 0.00 -2.07 -0.05 0.00 -1.51 0.00 0.00 72.50 68.87 1bka s THR 679 CO 0.00 -0.50 1.06 -0.94 -2.21 0.00 0.00 174.62 172.03 1bka s SER 680 N -3.25 5.89 0.53 8.08 1.04 -1.26 -4.82 113.70 119.90 1bka s SER 680 Ca 0.23 1.88 0.22 0.00 0.48 0.00 0.00 55.95 58.76 1bka s SER 680 Cb -0.03 -2.54 1.36 0.00 0.10 0.00 0.00 66.02 64.91 1bka s SER 680 CO 0.09 -1.10 2.04 -0.65 0.98 0.00 0.00 173.24 174.60 1bka h PRO 681 N 0.75 0.01 -0.19 4.02 0.11 -2.00 1.14 132.00 135.85 1bka h PRO 681 Ca -0.48 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 1bka h PRO 681 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bka h PRO 681 CO 0.58 0.00 -0.48 1.25 -0.21 0.00 0.00 178.00 179.14 1bka h LEU 682 N 0.01 0.74 -0.40 2.35 5.85 -1.97 0.30 115.31 122.19 1bka h LEU 682 Ca 0.18 -0.57 -0.18 0.00 0.84 0.00 0.00 57.88 58.15 1bka h LEU 682 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1bka h LEU 682 CO -0.00 1.19 -0.80 -0.07 -0.34 0.00 0.00 178.44 178.41 1bka h LEU 683 N 0.34 0.17 -0.31 2.25 3.38 -1.41 -2.36 115.31 117.36 1bka h LEU 683 Ca -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1bka h LEU 683 Cb 1.09 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1bka h LEU 683 CO 0.10 0.90 0.02 -0.08 0.09 0.00 0.00 178.44 179.47 1bka h GLU 684 N 0.08 0.54 0.06 1.13 4.81 0.14 -1.58 114.58 119.76 1bka h GLU 684 Ca -0.03 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1bka h GLU 684 Cb 1.40 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 1bka h GLU 684 CO 0.12 0.66 -0.15 0.00 -0.73 0.00 0.00 179.01 178.91 1bka h ALA 685 N 0.86 -0.23 0.00 2.92 0.00 -0.88 -2.21 119.26 119.71 1bka h ALA 685 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1bka h ALA 685 Cb 0.41 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1bka h ALA 685 CO 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 179.25 178.46 1bka h GLU 687 N 0.00 0.27 -0.53 0.00 4.57 -0.84 -0.65 114.58 117.40 1bka h GLU 687 Ca -0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1bka h GLU 687 Cb 0.29 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1bka h GLU 687 CO 0.02 0.37 0.30 0.35 -1.18 0.00 0.00 179.01 178.87 1bka h PHE 688 N 0.11 0.72 0.00 0.92 3.04 -0.57 -2.70 116.94 118.47 1bka h PHE 688 Ca 0.06 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1bka h PHE 688 Cb 0.21 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1bka h PHE 688 CO -0.00 0.52 -0.05 1.28 -2.02 0.00 0.00 178.31 178.04 1bka n LEU 689 N -4.64 0.31 0.03 0.59 4.77 -0.14 -4.25 117.00 113.66 1bka n LEU 689 Ca 0.03 0.48 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1bka n LEU 689 Cb 0.08 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1bka n LEU 689 CO 0.36 -0.05 0.12 0.03 -1.33 0.00 0.00 177.39 176.52 1bka h ARG 690 N 0.00 -0.10 0.00 3.23 2.47 -0.78 -3.51 114.38 115.69 1bka h ARG 690 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1bka h ARG 690 Cb 0.58 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1bka h ARG 690 CO 0.00 -0.06 0.00 0.36 0.56 0.00 0.00 179.97 180.83