#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqm s GLU 2 N 0.00 1.68 -0.01 0.54 2.56 -1.26 -5.12 118.70 117.08 1sqm s GLU 2 Ca 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 54.97 54.64 1sqm s GLU 2 Cb 0.00 -1.56 -0.00 0.00 2.00 0.00 0.00 34.13 34.57 1sqm s GLU 2 CO 0.00 -0.14 -0.07 -1.50 -0.56 0.00 0.00 175.26 172.99 1sqm s ILE 3 N 1.24 0.61 0.24 -3.70 2.07 -1.26 -5.16 121.20 115.25 1sqm s ILE 3 Ca -0.03 -0.30 0.07 0.00 -1.41 0.00 0.00 60.65 58.98 1sqm s ILE 3 Cb -0.14 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 1sqm s ILE 3 CO -0.03 0.18 0.13 0.54 -1.91 0.00 0.00 174.94 173.85 1sqm s VAL 4 N -0.01 4.15 -0.56 4.00 0.11 -1.26 -5.07 120.40 121.76 1sqm s VAL 4 Ca 0.01 -1.50 -0.18 0.00 -2.93 0.00 0.00 61.98 57.38 1sqm s VAL 4 Cb -0.05 -3.21 0.10 0.00 -1.53 0.00 0.00 36.38 31.69 1sqm s VAL 4 CO -0.00 -0.31 0.63 -0.62 -3.33 0.00 0.00 175.10 171.46 1sqm s ASP 5 N -3.65 6.19 0.02 3.54 -1.08 -1.26 -4.92 116.67 115.50 1sqm s ASP 5 Ca 0.32 -1.43 0.12 0.00 -0.52 0.00 0.00 52.55 51.04 1sqm s ASP 5 Cb -0.08 -2.27 0.53 0.00 -1.46 0.00 0.00 42.92 39.64 1sqm s ASP 5 CO 0.23 -1.00 1.39 0.35 0.52 0.00 0.00 175.17 176.67 1sqm n THR 6 N 5.47 1.18 1.01 1.71 -2.24 -1.26 -1.95 114.28 118.19 1sqm n THR 6 Ca -0.10 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1sqm n THR 6 Cb 0.42 -1.11 0.23 0.00 -2.10 0.00 0.00 70.33 67.77 1sqm n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqm s SER 8 N -2.98 4.67 0.00 0.00 0.15 -0.82 -4.92 113.70 109.80 1sqm s SER 8 Ca 0.11 -0.10 0.18 0.00 0.70 0.00 0.00 55.95 56.84 1sqm s SER 8 Cb 0.17 -1.13 0.36 0.00 -1.71 0.00 0.00 66.02 63.72 1sqm s SER 8 CO 0.71 0.31 1.29 0.18 1.20 0.00 0.00 173.24 176.92 1sqm n LEU 9 N 1.74 3.13 -4.92 3.45 4.77 -1.26 -4.90 117.00 119.00 1sqm n LEU 9 Ca -0.16 -1.62 -0.26 0.00 -0.03 0.00 0.00 56.01 53.94 1sqm n LEU 9 Cb 0.53 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1sqm n LEU 9 CO 0.30 0.71 0.56 0.00 -1.33 0.00 0.00 177.39 177.62 1sqm s ALA 10 N -1.20 3.27 0.25 -1.18 0.00 -1.26 -4.71 121.76 116.93 1sqm s ALA 10 Ca 0.31 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1sqm s ALA 10 Cb 0.18 -2.60 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 1sqm s ALA 10 CO 0.25 -0.94 1.56 -1.12 0.00 0.00 0.00 175.76 175.50 1sqm s SER 11 N -4.37 6.50 0.93 0.00 0.01 -0.43 -4.94 113.70 111.41 1sqm s SER 11 Ca 0.56 2.79 -0.12 0.00 1.31 0.00 0.00 55.95 60.49 1sqm s SER 11 Cb -0.11 -2.62 0.15 0.00 0.21 0.00 0.00 66.02 63.65 1sqm s SER 11 CO 0.45 -0.84 1.10 -2.16 0.41 0.00 0.00 173.24 172.20 1sqm s PRO 12 N 0.01 1.01 0.56 12.44 0.04 -1.26 -4.80 135.00 143.00 1sqm s PRO 12 Ca 0.64 0.65 0.26 0.00 0.04 0.00 0.00 61.00 62.59 1sqm s PRO 12 Cb -0.45 -1.79 1.50 0.00 0.04 0.00 0.00 34.50 33.79 1sqm s PRO 12 CO 0.42 -2.37 2.06 0.00 0.04 0.00 0.00 177.00 177.16 1sqm h ALA 13 N -1.63 2.08 0.00 8.56 0.00 -1.92 -1.18 119.26 125.17 1sqm h ALA 13 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sqm h ALA 13 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1sqm h ALA 13 CO 0.57 -0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 1sqm n SER 14 N -4.10 0.26 -0.13 0.00 3.41 -1.26 -3.50 113.62 108.30 1sqm n SER 14 Ca 0.04 0.56 -0.28 0.00 -0.26 0.00 0.00 58.87 58.93 1sqm n SER 14 Cb 0.40 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 1sqm n SER 14 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1sqm n VAL 15 N -1.78 1.47 -3.62 -3.33 0.31 -0.46 -4.52 118.33 106.40 1sqm n VAL 15 Ca 0.03 -0.36 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 1sqm n VAL 15 Cb 0.20 -1.88 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 1sqm n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sqm s ARG 17 N -3.82 0.79 -0.09 0.00 0.52 0.39 -3.85 118.95 112.90 1sqm s ARG 17 Ca 0.05 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.84 1sqm s ARG 17 Cb 0.00 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.66 1sqm s ARG 17 CO -0.09 -0.05 1.07 0.99 0.02 0.00 0.00 175.30 177.24 1sqm s THR 18 N 0.78 4.60 -0.10 0.02 2.01 -1.26 0.03 115.64 121.73 1sqm s THR 18 Ca -0.10 1.89 0.20 0.00 0.31 0.00 0.00 61.69 63.99 1sqm s THR 18 Cb -0.13 -4.21 -0.29 0.00 0.01 0.00 0.00 72.50 67.87 1sqm s THR 18 CO 0.00 0.00 0.37 0.29 -0.69 0.00 0.00 174.62 174.59 1sqm n LYS 19 N 5.07 0.67 -3.55 4.92 4.76 0.84 -4.32 118.16 126.56 1sqm n LYS 19 Ca 0.09 -0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.28 1sqm n LYS 19 Cb 0.48 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 1sqm n LYS 19 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1sqm s HIS 20 N -3.14 -0.48 -0.05 2.13 2.46 -1.20 -2.42 115.29 112.59 1sqm s HIS 20 Ca -0.08 0.59 0.02 0.00 0.47 0.00 0.00 55.06 56.06 1sqm s HIS 20 Cb 0.11 0.38 0.01 0.00 -0.13 0.00 0.00 32.58 32.95 1sqm s HIS 20 CO 0.88 -0.65 -0.09 -1.17 -2.47 0.00 0.00 174.74 171.24 1sqm s LEU 21 N -1.88 1.57 -0.28 8.88 2.96 -0.41 -1.06 118.68 128.46 1sqm s LEU 21 Ca -0.06 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1sqm s LEU 21 Cb -0.01 -0.62 0.07 0.00 0.50 0.00 0.00 46.19 46.13 1sqm s LEU 21 CO -0.00 0.01 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.70 1sqm s HIS 22 N 0.62 3.38 -0.23 5.38 5.65 -0.14 -1.72 115.29 128.24 1sqm s HIS 22 Ca -0.11 -2.43 -0.10 0.00 0.25 0.00 0.00 55.06 52.68 1sqm s HIS 22 Cb -0.14 -2.19 -0.05 0.00 -1.18 0.00 0.00 32.58 29.03 1sqm s HIS 22 CO 0.02 -0.89 0.14 -1.17 -0.65 0.00 0.00 174.74 172.18 1sqm s LEU 23 N 1.07 4.04 -0.22 8.88 0.20 -0.29 -1.45 118.68 130.91 1sqm s LEU 23 Ca -0.04 0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.89 1sqm s LEU 23 Cb -0.20 -2.07 0.05 0.00 -0.43 0.00 0.00 46.19 43.55 1sqm s LEU 23 CO -0.05 0.09 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.90 1sqm s ARG 24 N 0.89 1.79 0.15 1.98 0.52 -0.62 -0.81 118.95 122.86 1sqm s ARG 24 Ca 0.07 -0.96 -0.05 0.00 -0.52 0.00 0.00 55.73 54.27 1sqm s ARG 24 Cb -0.13 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1sqm s ARG 24 CO 0.03 -0.54 0.17 0.00 0.02 0.00 0.00 175.30 174.98 1sqm s SER 26 N -3.02 1.29 -0.45 0.00 0.15 0.21 -0.72 113.70 111.15 1sqm s SER 26 Ca 0.23 -0.20 -0.21 0.00 0.70 0.00 0.00 55.95 56.46 1sqm s SER 26 Cb 0.05 -0.38 0.03 0.00 -1.71 0.00 0.00 66.02 64.01 1sqm s SER 26 CO 0.02 0.06 0.67 -0.69 1.20 0.00 0.00 173.24 174.51 1sqm s VAL 27 N 0.26 4.79 -0.70 4.45 1.01 -0.36 -1.33 120.40 128.52 1sqm s VAL 27 Ca -0.04 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1sqm s VAL 27 Cb -0.10 -4.25 0.16 0.00 0.00 0.00 0.00 36.38 32.20 1sqm s VAL 27 CO 0.01 -0.66 0.71 -0.62 0.00 0.00 0.00 175.10 174.53 1sqm s ASP 28 N 2.13 6.47 0.40 3.32 -1.08 0.16 -4.72 116.67 123.34 1sqm s ASP 28 Ca 0.23 -2.12 0.13 0.00 -0.52 0.00 0.00 52.55 50.27 1sqm s ASP 28 Cb -0.14 -2.24 0.82 0.00 -1.46 0.00 0.00 42.92 39.89 1sqm s ASP 28 CO 0.19 -0.81 1.89 -0.26 0.52 0.00 0.00 175.17 176.70 1sqm h PHE 29 N 8.48 0.04 0.00 -5.34 0.04 -1.96 0.45 116.94 118.66 1sqm h PHE 29 Ca -0.09 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 1sqm h PHE 29 Cb 1.07 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1sqm h PHE 29 CO 0.92 0.31 -0.37 1.15 -0.60 0.00 0.00 178.31 179.72 1sqm h THR 30 N 0.04 1.00 -0.00 -1.55 2.02 -1.95 -3.14 112.91 109.32 1sqm h THR 30 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1sqm h THR 30 Cb 0.50 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1sqm h THR 30 CO 0.04 0.36 -0.52 0.54 0.37 0.00 0.00 175.52 176.31 1sqm n ARG 31 N -3.72 3.32 -3.55 6.66 1.74 -1.03 -4.99 116.66 115.10 1sqm n ARG 31 Ca -0.01 -0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.83 1sqm n ARG 31 Cb 0.46 -1.02 0.08 0.00 -1.02 0.00 0.00 32.46 30.95 1sqm n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sqm n ARG 32 N -1.24 -7.62 -4.19 5.56 5.12 0.15 -4.71 116.66 109.74 1sqm n ARG 32 Ca 0.02 0.81 -0.19 0.00 -1.93 0.00 0.00 57.85 56.56 1sqm n ARG 32 Cb 0.17 -5.79 -0.12 0.00 -1.16 0.00 0.00 32.46 25.56 1sqm n ARG 32 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1sqm s THR 33 N -3.32 1.17 -0.18 0.55 -4.23 -0.84 -3.40 115.64 105.39 1sqm s THR 33 Ca 0.50 -1.37 -0.05 0.00 -1.18 0.00 0.00 61.69 59.60 1sqm s THR 33 Cb -0.22 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 1sqm s THR 33 CO 0.71 -0.24 0.00 -0.22 -0.54 0.00 0.00 174.62 174.33 1sqm s LEU 34 N -1.84 3.36 0.03 4.79 0.20 -1.26 -0.66 118.68 123.30 1sqm s LEU 34 Ca -0.00 -0.13 0.07 0.00 0.69 0.00 0.00 54.13 54.76 1sqm s LEU 34 Cb -0.09 -1.84 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 1sqm s LEU 34 CO 0.02 0.12 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.10 1sqm s THR 35 N 0.69 1.70 -4.42 3.68 2.01 -0.44 -0.68 115.64 118.18 1sqm s THR 35 Ca -0.00 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.84 1sqm s THR 35 Cb -0.14 -1.46 0.00 0.00 0.01 0.00 0.00 72.50 70.91 1sqm s THR 35 CO 0.02 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1sqm n GLY 36 N 1.96 -0.96 3.22 4.40 0.00 -0.87 0.65 105.19 113.58 1sqm n GLY 36 Ca -0.17 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1sqm n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqm s THR 37 N -3.00 1.86 -0.34 2.61 -4.23 0.11 -0.75 115.64 111.90 1sqm s THR 37 Ca 0.00 -0.95 -0.07 0.00 -1.18 0.00 0.00 61.69 59.49 1sqm s THR 37 Cb 0.00 -1.59 0.03 0.00 1.34 0.00 0.00 72.50 72.28 1sqm s THR 37 CO 0.00 0.52 0.12 0.00 -0.54 0.00 0.00 174.62 174.72 1sqm s ALA 38 N 0.01 3.10 -0.37 3.99 0.00 0.73 -1.58 121.76 127.63 1sqm s ALA 38 Ca -0.07 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.07 1sqm s ALA 38 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1sqm s ALA 38 CO 0.04 -1.25 0.32 0.00 0.00 0.00 0.00 175.76 174.87 1sqm s ALA 39 N 1.46 3.48 -0.21 0.00 0.00 -0.53 -0.42 121.76 125.54 1sqm s ALA 39 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.41 1sqm s ALA 39 Cb -0.19 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 1sqm s ALA 39 CO 0.04 -1.23 0.09 -0.51 0.00 0.00 0.00 175.76 174.15 1sqm s LEU 40 N 1.84 3.82 -0.42 0.00 1.43 0.37 -0.97 118.68 124.77 1sqm s LEU 40 Ca 0.08 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 1sqm s LEU 40 Cb -0.18 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1sqm s LEU 40 CO 0.11 0.09 0.66 -0.89 0.23 0.00 0.00 176.35 176.55 1sqm s THR 41 N 0.86 4.82 -0.12 5.49 2.01 -0.22 -0.70 115.64 127.77 1sqm s THR 41 Ca 0.05 0.28 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 1sqm s THR 41 Cb -0.13 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1sqm s THR 41 CO 0.03 -0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.67 1sqm s VAL 42 N 2.85 3.70 -0.16 3.82 1.01 0.15 -0.11 120.40 131.66 1sqm s VAL 42 Ca 0.24 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1sqm s VAL 42 Cb -0.14 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1sqm s VAL 42 CO 0.18 0.53 -0.00 -1.58 0.00 0.00 0.00 175.10 174.23 1sqm s GLN 43 N 0.00 3.73 0.35 2.72 0.74 0.10 -1.66 119.66 125.64 1sqm s GLN 43 Ca -0.00 -0.45 -0.26 0.00 0.05 0.00 0.00 55.36 54.69 1sqm s GLN 43 Cb -0.14 -3.01 -0.09 0.00 1.10 0.00 0.00 33.01 30.88 1sqm s GLN 43 CO 0.03 0.29 1.05 0.45 -0.55 0.00 0.00 175.29 176.56 1sqm s SER 44 N 0.27 7.01 0.00 6.67 0.15 0.44 -0.46 113.70 127.78 1sqm s SER 44 Ca -0.01 2.08 0.07 0.00 0.70 0.00 0.00 55.95 58.80 1sqm s SER 44 Cb -0.13 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.70 1sqm s SER 44 CO 0.02 -0.31 0.94 0.00 1.20 0.00 0.00 173.24 175.09 1sqm n GLN 45 N 0.45 1.44 -4.37 5.44 1.13 0.11 -0.19 117.38 121.40 1sqm n GLN 45 Ca 0.02 -1.38 -0.19 0.00 -1.94 0.00 0.00 57.00 53.51 1sqm n GLN 45 Cb 0.48 -1.15 -0.10 0.00 0.11 0.00 0.00 30.24 29.57 1sqm n GLN 45 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1sqm s GLU 46 N -0.79 1.43 0.31 -1.09 2.02 -1.17 -4.83 118.70 114.57 1sqm s GLU 46 Ca 0.12 -1.73 -0.18 0.00 0.02 0.00 0.00 54.97 53.19 1sqm s GLU 46 Cb 0.07 -0.77 -0.09 0.00 0.10 0.00 0.00 34.13 33.43 1sqm s GLU 46 CO 0.09 -0.08 0.79 0.34 0.02 0.00 0.00 175.26 176.42 1sqm s ASP 47 N -3.36 6.93 -1.36 -0.19 -1.08 -1.26 -2.41 116.67 113.94 1sqm s ASP 47 Ca 0.30 1.44 -0.05 0.00 -0.52 0.00 0.00 52.55 53.71 1sqm s ASP 47 Cb 0.06 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1sqm s ASP 47 CO 0.10 -0.15 0.47 -3.20 0.52 0.00 0.00 175.17 172.91 1sqm n ASN 48 N -0.02 -1.20 -4.67 -0.34 5.15 -0.46 -4.90 115.26 108.82 1sqm n ASN 48 Ca 0.02 -1.04 -0.43 0.00 -0.60 0.00 0.00 54.58 52.54 1sqm n ASN 48 Cb 0.52 -2.96 -0.02 0.00 -0.53 0.00 0.00 39.78 36.79 1sqm n ASN 48 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1sqm s LEU 49 N -6.93 4.18 -0.00 1.20 2.96 -0.27 -4.77 118.68 115.05 1sqm s LEU 49 Ca 0.10 1.45 0.06 0.00 -0.22 0.00 0.00 54.13 55.52 1sqm s LEU 49 Cb -0.04 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.04 1sqm s LEU 49 CO 0.89 -0.55 0.23 0.54 -1.32 0.00 0.00 176.35 176.15 1sqm n ARG 50 N 5.62 4.18 -3.62 1.98 1.74 -1.26 -1.28 116.66 124.02 1sqm n ARG 50 Ca 0.10 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1sqm n ARG 50 Cb 0.47 -0.85 -0.02 0.00 -1.02 0.00 0.00 32.46 31.04 1sqm n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1sqm s SER 51 N -1.76 -0.40 0.12 0.55 1.04 -1.26 -1.13 113.70 110.86 1sqm s SER 51 Ca 0.01 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.99 1sqm s SER 51 Cb 0.04 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.83 1sqm s SER 51 CO 0.25 -1.10 0.40 -1.48 0.98 0.00 0.00 173.24 172.30 1sqm s LEU 52 N -2.83 0.38 -0.04 2.42 0.05 -1.02 -4.98 118.68 112.66 1sqm s LEU 52 Ca 0.06 -0.29 0.04 0.00 0.05 0.00 0.00 54.13 53.99 1sqm s LEU 52 Cb -0.02 1.84 -0.03 0.00 -2.05 0.00 0.00 46.19 45.94 1sqm s LEU 52 CO -0.05 -0.84 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.06 1sqm s VAL 53 N -3.71 2.91 0.21 1.48 1.01 -1.26 -0.61 120.40 120.43 1sqm s VAL 53 Ca 0.02 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.32 1sqm s VAL 53 Cb 0.02 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1sqm s VAL 53 CO -0.11 0.59 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 1sqm s LEU 54 N -0.72 2.50 0.27 3.92 1.43 0.74 -1.31 118.68 125.51 1sqm s LEU 54 Ca 0.11 -0.94 -0.17 0.00 -1.03 0.00 0.00 54.13 52.10 1sqm s LEU 54 Cb -0.10 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 1sqm s LEU 54 CO 0.00 -0.00 0.72 -1.81 0.23 0.00 0.00 176.35 175.50 1sqm s ASP 55 N -3.02 6.90 0.05 2.29 1.01 0.26 -0.29 116.67 123.87 1sqm s ASP 55 Ca 0.22 1.33 -0.20 0.00 0.71 0.00 0.00 52.55 54.61 1sqm s ASP 55 Cb -0.05 -2.39 0.04 0.00 1.01 0.00 0.00 42.92 41.53 1sqm s ASP 55 CO 0.10 -0.09 0.46 0.42 0.21 0.00 0.00 175.17 176.27 1sqm s THR 56 N -1.76 0.04 -0.24 -1.27 -4.23 -1.03 -2.18 115.64 104.98 1sqm s THR 56 Ca 0.49 -0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1sqm s THR 56 Cb -0.13 -0.97 0.13 0.00 1.34 0.00 0.00 72.50 72.87 1sqm s THR 56 CO 0.19 -0.20 0.40 -0.75 -0.54 0.00 0.00 174.62 173.71 1sqm s LYS 57 N -2.50 0.35 -1.46 3.99 2.20 -0.46 0.11 119.74 121.97 1sqm s LYS 57 Ca -0.05 0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 56.12 1sqm s LYS 57 Cb -0.01 -0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.06 1sqm s LYS 57 CO -0.02 -0.57 0.84 -0.25 -0.36 0.00 0.00 175.35 174.99 1sqm n ASP 58 N 5.37 -5.69 -4.93 1.43 8.00 -1.26 -4.30 116.55 115.16 1sqm n ASP 58 Ca -0.04 -0.47 -0.24 0.00 0.71 0.00 0.00 54.79 54.74 1sqm n ASP 58 Cb 0.50 -4.55 -0.03 0.00 -0.02 0.00 0.00 41.12 37.02 1sqm n ASP 58 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sqm s LEU 59 N -6.97 4.26 -0.19 0.64 1.43 -1.26 -3.03 118.68 113.56 1sqm s LEU 59 Ca 0.47 0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1sqm s LEU 59 Cb -0.22 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.17 1sqm s LEU 59 CO 0.58 0.01 -0.10 -0.89 0.23 0.00 0.00 176.35 176.19 1sqm s THR 60 N -1.83 2.99 -0.28 5.49 2.01 -0.04 -4.96 115.64 119.01 1sqm s THR 60 Ca 0.34 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 1sqm s THR 60 Cb -0.10 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1sqm s THR 60 CO 0.28 0.48 0.23 -0.63 -0.69 0.00 0.00 174.62 174.29 1sqm s ILE 61 N 1.13 5.28 -0.05 1.82 -1.09 -1.26 -0.73 121.20 126.31 1sqm s ILE 61 Ca 0.01 0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.58 1sqm s ILE 61 Cb -0.14 -3.57 -0.29 0.00 -1.58 0.00 0.00 42.46 36.87 1sqm s ILE 61 CO -0.03 0.22 0.65 -0.08 -1.23 0.00 0.00 174.94 174.47 1sqm h GLU 62 N 8.34 0.34 -1.09 2.79 4.81 -1.39 -3.49 114.58 124.87 1sqm h GLU 62 Ca -0.34 -0.58 0.34 0.00 -0.13 0.00 0.00 59.36 58.65 1sqm h GLU 62 Cb 1.18 0.21 -0.19 0.00 0.63 0.00 0.00 28.75 30.59 1sqm h GLU 62 CO 0.57 1.24 0.96 -1.59 -0.73 0.00 0.00 179.01 179.47 1sqm s LYS 63 N -2.58 0.07 -0.07 1.92 -2.85 -1.19 -5.01 119.74 110.02 1sqm s LYS 63 Ca -0.15 -0.03 0.01 0.00 -1.00 0.00 0.00 55.97 54.79 1sqm s LYS 63 Cb 0.06 0.03 0.02 0.00 -2.06 0.00 0.00 37.83 35.88 1sqm s LYS 63 CO 0.84 -0.03 -0.07 0.08 0.10 0.00 0.00 175.35 176.27 1sqm s VAL 64 N -2.09 0.80 -0.07 1.79 1.01 -1.26 -0.85 120.40 119.73 1sqm s VAL 64 Ca 0.12 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1sqm s VAL 64 Cb 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1sqm s VAL 64 CO -0.04 0.30 -0.19 -0.69 0.00 0.00 0.00 175.10 174.49 1sqm s VAL 65 N 1.19 1.62 -0.06 2.92 1.01 -0.68 -0.38 120.40 126.02 1sqm s VAL 65 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1sqm s VAL 65 Cb -0.14 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1sqm s VAL 65 CO -0.02 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.87 1sqm s ILE 66 N 0.36 0.61 -1.22 2.22 1.01 -0.03 -1.46 121.20 122.69 1sqm s ILE 66 Ca -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1sqm s ILE 66 Cb -0.16 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1sqm s ILE 66 CO 0.05 0.26 0.43 0.59 0.00 0.00 0.00 174.94 176.28 1sqm n ASN 67 N 4.44 -5.07 0.00 3.58 3.02 -1.26 -2.60 115.26 117.37 1sqm n ASN 67 Ca -0.18 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1sqm n ASN 67 Cb 0.51 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 1sqm n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sqm n GLY 68 N -1.32 0.47 3.10 7.41 0.00 -1.26 -5.02 105.19 108.56 1sqm n GLY 68 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1sqm n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sqm s GLN 69 N -0.17 0.79 0.25 1.61 -1.52 -1.07 -5.11 119.66 114.44 1sqm s GLN 69 Ca 0.00 -0.66 -0.30 0.00 -1.95 0.00 0.00 55.36 52.45 1sqm s GLN 69 Cb 0.00 -0.74 -0.09 0.00 -0.22 0.00 0.00 33.01 31.95 1sqm s GLN 69 CO 0.00 0.18 1.19 -1.21 -0.25 0.00 0.00 175.29 175.21 1sqm s GLU 70 N -1.04 4.51 0.39 2.91 2.02 -1.26 -0.85 118.70 125.38 1sqm s GLU 70 Ca -0.00 1.94 0.06 0.00 0.02 0.00 0.00 54.97 56.99 1sqm s GLU 70 Cb -0.07 -3.18 -0.08 0.00 0.10 0.00 0.00 34.13 30.90 1sqm s GLU 70 CO 0.01 -0.01 0.01 0.14 0.02 0.00 0.00 175.26 175.43 1sqm s VAL 71 N -0.66 1.85 0.24 2.63 -7.23 0.48 -4.91 120.40 112.80 1sqm s VAL 71 Ca 0.49 -2.01 -0.21 0.00 -1.81 0.00 0.00 61.98 58.44 1sqm s VAL 71 Cb -0.34 -2.93 -0.09 0.00 0.56 0.00 0.00 36.38 33.58 1sqm s VAL 71 CO 0.42 -0.02 0.77 -0.54 -0.31 0.00 0.00 175.10 175.42 1sqm s LYS 72 N -3.74 4.33 0.20 4.82 1.02 -1.26 -4.62 119.74 120.49 1sqm s LYS 72 Ca 0.35 0.97 -0.15 0.00 0.02 0.00 0.00 55.97 57.16 1sqm s LYS 72 Cb 0.09 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1sqm s LYS 72 CO 0.17 0.38 0.46 1.52 -0.92 0.00 0.00 175.35 176.97 1sqm s TYR 73 N -1.53 0.09 -0.19 3.18 -0.85 -1.26 -0.10 117.35 116.69 1sqm s TYR 73 Ca 0.44 -0.44 -0.16 0.00 -0.52 0.00 0.00 57.07 56.39 1sqm s TYR 73 Cb -0.17 0.26 0.05 0.00 0.38 0.00 0.00 41.96 42.48 1sqm s TYR 73 CO 0.22 -0.89 0.50 0.00 -1.52 0.00 0.00 175.55 173.85 1sqm s ALA 74 N -3.92 -1.24 -0.20 9.51 0.00 0.37 -4.98 121.76 121.30 1sqm s ALA 74 Ca 0.13 1.46 -0.16 0.00 0.00 0.00 0.00 51.96 53.40 1sqm s ALA 74 Cb -0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1sqm s ALA 74 CO 0.00 -0.25 0.38 -0.51 0.00 0.00 0.00 175.76 175.39 1sqm s LEU 75 N 0.46 4.15 1.04 0.00 1.43 -1.26 -1.17 118.68 123.33 1sqm s LEU 75 Ca -0.02 0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.41 1sqm s LEU 75 Cb -0.04 -2.49 0.22 0.00 0.03 0.00 0.00 46.19 43.91 1sqm s LEU 75 CO -0.02 -0.07 1.20 -0.83 0.23 0.00 0.00 176.35 176.87 1sqm s GLY 76 N 1.04 1.66 0.43 -3.19 0.00 0.30 -4.98 107.32 102.59 1sqm s GLY 76 Ca 0.18 -0.97 -0.24 0.00 0.00 0.00 0.00 44.72 43.70 1sqm s GLY 76 CO 0.08 -0.20 1.18 -1.83 0.00 0.00 0.00 173.10 172.33 1sqm s GLU 77 N -5.58 3.89 0.41 2.90 -1.05 -1.26 -4.52 118.70 113.48 1sqm s GLU 77 Ca 0.71 1.82 -0.27 0.00 -0.15 0.00 0.00 54.97 57.08 1sqm s GLU 77 Cb -0.08 -2.53 -0.10 0.00 -0.44 0.00 0.00 34.13 30.98 1sqm s GLU 77 CO 0.54 -0.46 1.45 0.50 0.95 0.00 0.00 175.26 178.25 1sqm s ARG 78 N -2.51 3.92 -0.69 -4.83 3.52 -1.26 -4.59 118.95 112.52 1sqm s ARG 78 Ca 0.61 2.49 0.04 0.00 -0.13 0.00 0.00 55.73 58.73 1sqm s ARG 78 Cb -0.30 -2.83 0.17 0.00 -1.56 0.00 0.00 34.95 30.43 1sqm s ARG 78 CO 0.37 -0.65 0.48 -0.65 -0.81 0.00 0.00 175.30 174.04 1sqm s GLN 79 N -2.25 2.45 0.00 5.12 -0.21 -0.10 -4.98 119.66 119.70 1sqm s GLN 79 Ca 0.56 -3.22 0.00 0.00 0.02 0.00 0.00 55.36 52.73 1sqm s GLN 79 Cb -0.45 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.11 1sqm s GLN 79 CO 0.60 -1.25 0.00 -1.13 -2.12 0.00 0.00 175.29 171.38 1sqm n SER 80 N 2.20 0.00 0.24 5.90 3.41 -1.26 -0.58 113.62 123.54 1sqm n SER 80 Ca 0.17 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.96 1sqm n SER 80 Cb 0.35 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 65.19 1sqm n SER 80 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1sqm h TYR 81 N 0.00 0.00 0.00 7.33 -0.00 -2.01 -1.12 116.97 121.16 1sqm h TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1sqm h TYR 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1sqm h TYR 81 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 1sqm n LYS 82 N -3.59 0.22 0.00 0.10 5.02 0.26 -5.00 118.16 115.16 1sqm n LYS 82 Ca 0.00 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1sqm n LYS 82 Cb 0.28 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1sqm n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqm n GLY 83 N 0.24 -1.51 3.30 0.72 0.00 -0.43 -4.67 105.19 102.85 1sqm n GLY 83 Ca 0.03 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1sqm n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqm s SER 84 N -4.00 3.62 0.29 1.61 0.01 0.30 -0.92 113.70 114.61 1sqm s SER 84 Ca 0.00 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 1sqm s SER 84 Cb 0.00 -1.53 -0.10 0.00 0.21 0.00 0.00 66.02 64.60 1sqm s SER 84 CO 0.00 0.15 1.26 -2.16 0.41 0.00 0.00 173.24 172.90 1sqm s PRO 85 N 0.42 4.42 -0.29 12.44 0.04 -1.26 -2.46 135.00 148.31 1sqm s PRO 85 Ca -0.13 2.10 0.02 0.00 0.04 0.00 0.00 61.00 63.02 1sqm s PRO 85 Cb -0.17 -3.12 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1sqm s PRO 85 CO 0.06 -0.12 -0.05 1.41 0.04 0.00 0.00 177.00 178.35 1sqm s MET 86 N -1.36 2.15 -0.09 4.56 1.75 0.60 -0.54 119.30 126.38 1sqm s MET 86 Ca 0.50 -1.44 -0.17 0.00 -1.25 0.00 0.00 55.69 53.33 1sqm s MET 86 Cb -0.37 -3.03 -0.05 0.00 2.84 0.00 0.00 34.83 34.22 1sqm s MET 86 CO 0.47 -0.66 0.44 -2.00 -0.65 0.00 0.00 175.02 172.62 1sqm s GLU 87 N 1.10 4.23 -0.13 4.11 2.12 -0.32 -0.18 118.70 129.62 1sqm s GLU 87 Ca -0.04 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1sqm s GLU 87 Cb -0.20 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1sqm s GLU 87 CO -0.05 0.31 -0.22 0.42 -0.54 0.00 0.00 175.26 175.18 1sqm s ILE 88 N 0.14 2.05 -0.34 -3.70 1.01 0.22 -0.48 121.20 120.11 1sqm s ILE 88 Ca 0.24 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.70 1sqm s ILE 88 Cb -0.15 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.51 1sqm s ILE 88 CO 0.10 0.55 0.71 -0.44 0.00 0.00 0.00 174.94 175.86 1sqm s SER 89 N 0.77 6.52 0.27 3.58 0.01 0.85 -2.44 113.70 123.27 1sqm s SER 89 Ca -0.08 0.37 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 1sqm s SER 89 Cb -0.16 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 63.61 1sqm s SER 89 CO -0.01 -0.61 1.13 -0.76 0.41 0.00 0.00 173.24 173.40 1sqm s LEU 90 N 2.85 4.53 0.16 2.44 1.43 -0.28 -4.25 118.68 125.56 1sqm s LEU 90 Ca 0.28 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 1sqm s LEU 90 Cb -0.14 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1sqm s LEU 90 CO 0.14 -0.20 1.73 1.55 0.23 0.00 0.00 176.35 179.81 1sqm h PRO 91 N 3.93 0.76 -6.47 1.29 0.13 -1.93 -3.44 132.00 126.28 1sqm h PRO 91 Ca -0.47 -0.12 -0.65 0.00 -0.87 0.00 0.00 66.00 63.90 1sqm h PRO 91 Cb 1.21 -0.13 -0.26 0.00 0.13 0.00 0.00 31.00 31.95 1sqm h PRO 91 CO 0.68 0.64 -0.86 0.42 -0.23 0.00 0.00 178.00 178.65 1sqm s ILE 92 N -5.67 1.95 0.21 -3.56 1.01 -1.26 -5.11 121.20 108.77 1sqm s ILE 92 Ca -0.13 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 58.88 1sqm s ILE 92 Cb 0.12 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.82 1sqm s ILE 92 CO 0.77 0.28 1.21 0.00 0.00 0.00 0.00 174.94 177.19 1sqm s ALA 93 N -0.83 3.45 0.01 9.38 0.00 -1.26 -4.86 121.76 127.65 1sqm s ALA 93 Ca 0.10 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 1sqm s ALA 93 Cb -0.10 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1sqm s ALA 93 CO 0.02 -0.38 0.16 -0.51 0.00 0.00 0.00 175.76 175.05 1sqm s LEU 94 N -0.49 4.23 0.64 0.00 1.43 -0.40 -4.84 118.68 119.25 1sqm s LEU 94 Ca 0.52 0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.84 1sqm s LEU 94 Cb -0.33 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.33 1sqm s LEU 94 CO 0.38 0.24 0.92 -0.44 0.23 0.00 0.00 176.35 177.69 1sqm s SER 95 N -2.04 5.07 0.31 2.29 0.01 -1.26 -1.11 113.70 116.97 1sqm s SER 95 Ca 0.28 0.36 -0.29 0.00 1.31 0.00 0.00 55.95 57.61 1sqm s SER 95 Cb -0.13 -1.14 -0.11 0.00 0.21 0.00 0.00 66.02 64.86 1sqm s SER 95 CO 0.20 -1.38 1.45 -0.75 0.41 0.00 0.00 173.24 173.17 1sqm s LYS 96 N -5.06 4.23 0.00 12.44 2.20 -1.01 -1.81 119.74 130.72 1sqm s LYS 96 Ca 0.58 2.39 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 1sqm s LYS 96 Cb -0.11 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1sqm s LYS 96 CO 0.43 -0.43 0.00 0.09 -0.36 0.00 0.00 175.35 175.08 1sqm n ASN 97 N 1.52 0.00 -4.78 1.43 3.02 0.73 -4.98 115.26 112.20 1sqm n ASN 97 Ca 0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.22 1sqm n ASN 97 Cb 0.40 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 1sqm n ASN 97 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1sqm s GLN 98 N -0.25 4.09 0.15 3.52 0.74 -0.75 -4.67 119.66 122.50 1sqm s GLN 98 Ca 0.00 1.58 0.10 0.00 0.05 0.00 0.00 55.36 57.09 1sqm s GLN 98 Cb 0.00 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 1sqm s GLN 98 CO 0.00 -0.22 -0.23 -1.21 -0.55 0.00 0.00 175.29 173.08 1sqm s GLU 99 N -2.51 1.33 0.06 1.67 2.02 -1.26 -0.42 118.70 119.59 1sqm s GLU 99 Ca 0.59 -1.36 -0.17 0.00 0.02 0.00 0.00 54.97 54.04 1sqm s GLU 99 Cb -0.24 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.41 1sqm s GLU 99 CO 0.30 0.36 0.40 0.96 0.02 0.00 0.00 175.26 177.30 1sqm s ILE 100 N -1.49 0.06 -0.16 -1.63 -4.36 -0.67 -4.99 121.20 107.97 1sqm s ILE 100 Ca 0.14 -0.50 -0.02 0.00 -0.26 0.00 0.00 60.65 60.02 1sqm s ILE 100 Cb -0.08 -0.99 -0.01 0.00 1.25 0.00 0.00 42.46 42.62 1sqm s ILE 100 CO 0.07 -0.28 -0.10 0.54 0.24 0.00 0.00 174.94 175.42 1sqm s VAL 101 N -2.72 3.22 -0.29 8.37 0.11 -1.26 -0.67 120.40 127.16 1sqm s VAL 101 Ca -0.04 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 58.34 1sqm s VAL 101 Cb -0.00 -2.39 -0.01 0.00 -1.53 0.00 0.00 36.38 32.44 1sqm s VAL 101 CO -0.04 0.49 0.13 -0.63 -3.33 0.00 0.00 175.10 171.72 1sqm s ILE 102 N 0.67 4.55 -0.41 7.04 1.01 0.12 -4.51 121.20 129.67 1sqm s ILE 102 Ca -0.05 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 1sqm s ILE 102 Cb -0.15 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1sqm s ILE 102 CO 0.02 0.15 0.31 -0.70 0.00 0.00 0.00 174.94 174.72 1sqm s GLU 103 N 1.62 2.97 -0.24 2.79 2.12 -0.53 -0.47 118.70 126.96 1sqm s GLU 103 Ca 0.05 -1.04 -0.10 0.00 0.36 0.00 0.00 54.97 54.24 1sqm s GLU 103 Cb -0.16 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.19 1sqm s GLU 103 CO 0.06 -0.77 0.16 0.42 -0.54 0.00 0.00 175.26 174.59 1sqm s ILE 104 N 1.69 5.36 -0.21 -3.70 1.01 0.44 -1.68 121.20 124.11 1sqm s ILE 104 Ca 0.05 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1sqm s ILE 104 Cb -0.19 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1sqm s ILE 104 CO 0.10 0.35 0.42 -0.44 0.00 0.00 0.00 174.94 175.37 1sqm s SER 105 N 1.03 6.44 0.25 3.58 0.01 -0.03 -0.20 113.70 124.79 1sqm s SER 105 Ca 0.08 0.53 -0.06 0.00 1.31 0.00 0.00 55.95 57.80 1sqm s SER 105 Cb -0.13 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 1sqm s SER 105 CO 0.04 -0.11 0.35 0.72 0.41 0.00 0.00 173.24 174.65 1sqm s PHE 106 N 1.47 0.83 -0.06 2.43 -0.71 0.07 -0.93 117.98 121.09 1sqm s PHE 106 Ca 0.20 -1.10 -0.04 0.00 -1.04 0.00 0.00 56.93 54.95 1sqm s PHE 106 Cb -0.15 -0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.53 1sqm s PHE 106 CO 0.08 -0.90 0.14 -2.00 -1.34 0.00 0.00 175.22 171.21 1sqm s GLU 107 N -3.84 0.14 0.54 1.99 2.12 0.10 -2.05 118.70 117.68 1sqm s GLU 107 Ca 0.30 0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.84 1sqm s GLU 107 Cb 0.02 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 1sqm s GLU 107 CO 0.13 -0.07 0.84 0.95 -0.54 0.00 0.00 175.26 176.57 1sqm s THR 108 N 0.49 4.20 0.21 -1.70 -4.23 0.15 -0.86 115.64 113.90 1sqm s THR 108 Ca -0.03 0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.35 1sqm s THR 108 Cb -0.05 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.09 1sqm s THR 108 CO -0.02 -0.62 0.68 -0.55 -0.54 0.00 0.00 174.62 173.57 1sqm s SER 109 N -4.22 6.97 0.20 3.99 0.15 -1.17 -4.45 113.70 115.17 1sqm s SER 109 Ca 0.51 1.31 0.18 0.00 0.70 0.00 0.00 55.95 58.66 1sqm s SER 109 Cb -0.10 -2.38 0.85 0.00 -1.71 0.00 0.00 66.02 62.68 1sqm s SER 109 CO 0.45 0.03 1.56 -2.65 1.20 0.00 0.00 173.24 173.83 1sqm n PRO 110 N 0.64 0.12 -0.10 5.44 -0.02 -1.22 -1.36 135.00 138.51 1sqm n PRO 110 Ca -0.03 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1sqm n PRO 110 Cb 0.51 -1.79 0.33 0.00 -0.02 0.00 0.00 33.50 32.53 1sqm n PRO 110 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sqm n LYS 111 N -2.03 1.97 -1.55 -0.52 4.81 -1.26 -4.91 118.16 114.66 1sqm n LYS 111 Ca 0.01 -1.45 -0.59 0.00 -0.87 0.00 0.00 58.31 55.41 1sqm n LYS 111 Cb 0.13 -1.44 -0.08 0.00 0.02 0.00 0.00 35.03 33.66 1sqm n LYS 111 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1sqm n SER 112 N 0.68 0.49 0.00 3.14 2.88 -0.47 -4.80 113.62 115.54 1sqm n SER 112 Ca 0.17 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 59.00 1sqm n SER 112 Cb 0.42 -0.97 0.80 0.00 -0.75 0.00 0.00 64.21 63.72 1sqm n SER 112 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1sqm n SER 113 N 2.09 0.00 0.01 -3.46 3.41 -1.26 -2.13 113.62 112.28 1sqm n SER 113 Ca 0.21 -0.81 0.08 0.00 -0.26 0.00 0.00 58.87 58.09 1sqm n SER 113 Cb 0.08 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1sqm n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqm n ALA 114 N -1.02 2.54 -2.54 7.33 0.00 -1.26 -4.62 120.51 120.94 1sqm n ALA 114 Ca 0.20 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.81 1sqm n ALA 114 Cb 0.10 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 1sqm n ALA 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqm s LEU 115 N -4.89 2.86 -0.07 0.00 1.43 -0.90 -1.27 118.68 115.84 1sqm s LEU 115 Ca -0.06 -0.62 -0.00 0.00 -1.03 0.00 0.00 54.13 52.41 1sqm s LEU 115 Cb 0.12 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1sqm s LEU 115 CO 0.87 0.11 -0.02 -1.58 0.23 0.00 0.00 176.35 175.96 1sqm s GLN 116 N -2.73 0.80 -0.16 1.70 0.74 -0.99 -4.54 119.66 114.48 1sqm s GLN 116 Ca 0.24 -0.01 -0.07 0.00 0.05 0.00 0.00 55.36 55.56 1sqm s GLN 116 Cb -0.09 -1.00 -0.04 0.00 1.10 0.00 0.00 33.01 32.98 1sqm s GLN 116 CO 0.14 -0.22 0.09 -1.58 -0.55 0.00 0.00 175.29 173.16 1sqm s TRP 117 N 1.57 3.36 -0.07 1.67 0.52 -1.26 -2.66 118.94 122.06 1sqm s TRP 117 Ca -0.01 0.25 0.04 0.00 0.02 0.00 0.00 56.10 56.41 1sqm s TRP 117 Cb -0.13 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.17 1sqm s TRP 117 CO -0.04 0.36 -0.21 -0.51 0.02 0.00 0.00 176.95 176.58 1sqm s LEU 118 N -0.13 1.96 0.92 2.99 1.43 0.09 -5.00 118.68 120.94 1sqm s LEU 118 Ca 0.08 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1sqm s LEU 118 Cb -0.12 -1.20 0.14 0.00 0.03 0.00 0.00 46.19 45.05 1sqm s LEU 118 CO 0.01 0.15 1.10 0.42 0.23 0.00 0.00 176.35 178.26 1sqm s THR 119 N 0.22 2.50 0.42 5.49 -4.23 -1.26 -1.75 115.64 117.03 1sqm s THR 119 Ca -0.11 0.16 0.12 0.00 -1.18 0.00 0.00 61.69 60.68 1sqm s THR 119 Cb -0.15 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.32 1sqm s THR 119 CO 0.05 -0.21 1.99 -0.65 -0.54 0.00 0.00 174.62 175.26 1sqm h PRO 120 N -1.60 0.45 0.00 3.99 0.11 -1.89 -1.73 132.00 131.34 1sqm h PRO 120 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1sqm h PRO 120 Cb 1.30 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1sqm h PRO 120 CO 0.56 0.30 -0.19 1.05 -0.21 0.00 0.00 178.00 179.52 1sqm h GLU 121 N 0.47 0.00 -0.00 1.05 9.09 -1.88 -2.55 114.58 120.75 1sqm h GLU 121 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 1sqm h GLU 121 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 1sqm h GLU 121 CO -0.08 0.19 -0.05 1.04 0.05 0.00 0.00 179.01 180.16 1sqm n GLN 122 N -3.72 0.36 -2.86 1.06 6.02 -0.65 -4.85 117.38 112.74 1sqm n GLN 122 Ca -0.02 -0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.75 1sqm n GLN 122 Cb 0.30 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.11 1sqm n GLN 122 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1sqm n THR 123 N -1.28 0.00 0.04 5.09 -2.24 -0.96 -4.88 114.28 110.04 1sqm n THR 123 Ca 0.12 -1.75 -0.19 0.00 -2.27 0.00 0.00 64.05 59.96 1sqm n THR 123 Cb 0.28 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.86 1sqm n THR 123 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1sqm h SER 124 N 0.15 0.47 0.81 3.42 0.02 -1.89 -3.36 113.55 113.17 1sqm h SER 124 Ca -0.25 -0.93 -0.09 0.00 -0.84 0.00 0.00 61.79 59.68 1sqm h SER 124 Cb 1.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1sqm h SER 124 CO 0.36 1.36 -0.43 1.23 -1.14 0.00 0.00 176.83 178.20 1sqm h GLY 125 N -0.35 0.00 -0.06 -3.77 0.00 -1.94 -3.47 103.07 93.48 1sqm h GLY 125 Ca -0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1sqm h GLY 125 CO 0.14 0.00 -0.02 0.28 0.00 0.00 0.00 176.54 176.94 1sqm n LYS 126 N -3.59 -0.99 0.00 4.80 4.76 -1.22 -4.84 118.16 117.08 1sqm n LYS 126 Ca -0.00 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1sqm n LYS 126 Cb 0.54 -4.12 0.00 0.00 -1.84 0.00 0.00 35.03 29.61 1sqm n LYS 126 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sqm n GLU 127 N -1.16 3.26 -3.86 1.97 1.02 -1.26 -4.58 120.64 116.03 1sqm n GLU 127 Ca -0.01 -0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 56.79 1sqm n GLU 127 Cb 0.27 -0.72 -0.10 0.00 -0.02 0.00 0.00 31.44 30.87 1sqm n GLU 127 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1sqm s HIS 128 N -0.53 -0.00 1.06 -0.32 3.76 -1.26 -4.97 115.29 113.02 1sqm s HIS 128 Ca 0.00 -0.02 -0.18 0.00 -0.15 0.00 0.00 55.06 54.72 1sqm s HIS 128 Cb 0.00 -0.03 0.26 0.00 1.11 0.00 0.00 32.58 33.92 1sqm s HIS 128 CO 0.00 -0.24 1.14 -0.35 -0.85 0.00 0.00 174.74 174.44 1sqm n PRO 129 N 1.80 -2.23 -3.65 8.40 -0.04 -1.26 -4.00 135.00 134.02 1sqm n PRO 129 Ca -0.20 -1.79 -0.15 0.00 -0.04 0.00 0.00 63.50 61.32 1sqm n PRO 129 Cb 0.56 -1.44 -0.08 0.00 -0.04 0.00 0.00 33.50 32.51 1sqm n PRO 129 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1sqm s TYR 130 N -3.27 -0.49 -0.02 0.54 6.14 -0.72 -4.45 117.35 115.08 1sqm s TYR 130 Ca 0.69 0.96 0.01 0.00 0.64 0.00 0.00 57.07 59.37 1sqm s TYR 130 Cb -0.04 0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.60 1sqm s TYR 130 CO 0.51 -0.44 -0.02 -1.17 0.64 0.00 0.00 175.55 175.07 1sqm s LEU 131 N -0.78 1.56 0.01 6.97 2.96 0.46 -0.73 118.68 129.14 1sqm s LEU 131 Ca -0.08 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1sqm s LEU 131 Cb -0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 46.19 46.44 1sqm s LEU 131 CO 0.05 -0.03 0.06 0.72 -1.32 0.00 0.00 176.35 175.83 1sqm s PHE 132 N 0.50 0.15 0.37 5.38 -0.12 -1.09 -0.15 117.98 123.03 1sqm s PHE 132 Ca -0.05 -0.34 0.08 0.00 -0.05 0.00 0.00 56.93 56.57 1sqm s PHE 132 Cb -0.08 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.15 1sqm s PHE 132 CO -0.01 -0.25 0.20 -1.54 -0.05 0.00 0.00 175.22 173.58 1sqm s SER 133 N -1.46 4.73 -0.37 1.98 1.04 -0.29 -2.34 113.70 116.99 1sqm s SER 133 Ca -0.15 -0.81 0.07 0.00 0.48 0.00 0.00 55.95 55.54 1sqm s SER 133 Cb -0.08 -0.67 0.19 0.00 0.10 0.00 0.00 66.02 65.55 1sqm s SER 133 CO 0.00 -0.42 0.61 -1.58 0.98 0.00 0.00 173.24 172.83 1sqm s GLN 134 N -3.92 0.73 0.20 4.02 2.00 -0.39 -4.77 119.66 117.53 1sqm s GLN 134 Ca 0.40 -0.03 0.17 0.00 -2.00 0.00 0.00 55.36 53.90 1sqm s GLN 134 Cb -0.01 0.12 -0.00 0.00 0.80 0.00 0.00 33.01 33.91 1sqm s GLN 134 CO 0.24 -1.15 1.19 0.00 -0.50 0.00 0.00 175.29 175.07 1sqm s GLN 136 N -2.99 4.35 -0.18 0.00 0.74 -1.23 -0.21 119.66 120.15 1sqm s GLN 136 Ca 0.01 2.13 -0.16 0.00 0.05 0.00 0.00 55.36 57.40 1sqm s GLN 136 Cb 0.08 -3.17 -0.12 0.00 1.10 0.00 0.00 33.01 30.91 1sqm s GLN 136 CO 0.77 -0.30 0.04 0.00 -0.55 0.00 0.00 175.29 175.25 1sqm h ALA 137 N 5.23 0.15 -1.23 1.58 0.00 -1.94 -3.43 119.26 119.61 1sqm h ALA 137 Ca -0.45 -0.89 -0.57 0.00 0.00 0.00 0.00 54.91 53.00 1sqm h ALA 137 Cb 1.22 0.63 -0.42 0.00 0.00 0.00 0.00 17.79 19.22 1sqm h ALA 137 CO 0.77 0.61 -0.77 0.44 0.00 0.00 0.00 179.25 180.30 1sqm n ILE 138 N -4.52 2.39 0.83 0.00 -5.35 -1.14 -4.73 119.36 106.85 1sqm n ILE 138 Ca -0.21 -4.63 0.09 0.00 -0.27 0.00 0.00 62.75 57.73 1sqm n ILE 138 Cb 0.49 -1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 37.21 1sqm n ILE 138 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1sqm n HIS 139 N -0.55 0.00 -0.02 4.28 8.25 0.71 -4.32 115.22 123.57 1sqm n HIS 139 Ca 0.40 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.91 1sqm n HIS 139 Cb 0.77 0.00 0.43 0.00 1.12 0.00 0.00 29.99 32.31 1sqm n HIS 139 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sqm n ARG 141 N -4.47 0.14 -0.06 0.00 1.85 -1.26 0.04 116.66 112.90 1sqm n ARG 141 Ca 0.04 0.64 0.12 0.00 -1.00 0.00 0.00 57.85 57.66 1sqm n ARG 141 Cb 0.10 -1.97 0.28 0.00 -1.05 0.00 0.00 32.46 29.82 1sqm n ARG 141 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1sqm n ALA 142 N -1.78 2.49 -0.05 2.89 0.00 0.18 -1.36 120.51 122.88 1sqm n ALA 142 Ca -0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.67 1sqm n ALA 142 Cb 0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 1sqm n ALA 142 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1sqm n ILE 143 N 0.91 0.62 -3.63 0.00 5.41 0.11 -4.72 119.36 118.06 1sqm n ILE 143 Ca 0.17 -0.23 -0.13 0.00 1.00 0.00 0.00 62.75 63.56 1sqm n ILE 143 Cb 0.49 -0.96 -0.06 0.00 -0.71 0.00 0.00 39.64 38.41 1sqm n ILE 143 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 1sqm s LEU 144 N -5.73 0.18 0.29 1.39 0.05 -0.78 -4.74 118.68 109.35 1sqm s LEU 144 Ca -0.15 0.10 -0.30 0.00 0.05 0.00 0.00 54.13 53.84 1sqm s LEU 144 Cb 0.04 1.91 -0.11 0.00 -2.05 0.00 0.00 46.19 45.98 1sqm s LEU 144 CO 0.24 -0.68 1.50 -2.84 -0.55 0.00 0.00 176.35 174.03 1sqm s PRO 145 N -2.37 4.20 -0.16 1.48 0.02 -1.26 -4.16 135.00 132.74 1sqm s PRO 145 Ca -0.06 2.44 -0.34 0.00 0.02 0.00 0.00 61.00 63.06 1sqm s PRO 145 Cb -0.01 -3.05 0.14 0.00 0.02 0.00 0.00 34.50 31.59 1sqm s PRO 145 CO -0.01 -0.50 1.28 0.00 -0.33 0.00 0.00 177.00 177.43 1sqm s GLN 147 N -2.32 3.60 -1.26 0.00 -0.21 -1.26 -0.58 119.66 117.63 1sqm s GLN 147 Ca 0.11 -1.19 -0.15 0.00 0.02 0.00 0.00 55.36 54.15 1sqm s GLN 147 Cb 0.01 -5.34 -0.04 0.00 1.00 0.00 0.00 33.01 28.64 1sqm s GLN 147 CO -0.04 -2.18 2.26 -3.47 -2.12 0.00 0.00 175.29 169.73 1sqm n ASP 148 N 8.72 4.39 -3.85 5.90 -0.08 -1.26 -4.83 116.55 125.55 1sqm n ASP 148 Ca 0.33 -2.71 -0.12 0.00 -1.51 0.00 0.00 54.79 50.78 1sqm n ASP 148 Cb 0.51 -1.45 -0.12 0.00 2.34 0.00 0.00 41.12 42.39 1sqm n ASP 148 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1sqm s THR 149 N 3.51 0.03 -2.00 5.18 -1.32 -1.26 -4.62 115.64 115.15 1sqm s THR 149 Ca 0.53 -0.22 0.19 0.00 -1.21 0.00 0.00 61.69 60.98 1sqm s THR 149 Cb 0.14 -0.25 0.53 0.00 -1.51 0.00 0.00 72.50 71.42 1sqm s THR 149 CO -0.03 -0.12 1.62 -0.81 -2.21 0.00 0.00 174.62 173.08 1sqm n PRO 150 N 2.57 0.85 0.00 7.08 -0.04 -1.26 -3.01 135.00 141.19 1sqm n PRO 150 Ca -0.15 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.44 1sqm n PRO 150 Cb 0.58 -1.34 0.56 0.00 -0.04 0.00 0.00 33.50 33.26 1sqm n PRO 150 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1sqm n SER 151 N -0.84 0.28 -4.27 3.54 3.41 -1.16 -4.63 113.62 109.95 1sqm n SER 151 Ca 0.14 -0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1sqm n SER 151 Cb 0.06 -0.16 -0.16 0.00 -0.26 0.00 0.00 64.21 63.69 1sqm n SER 151 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sqm s VAL 152 N -2.74 2.18 -0.05 -3.33 1.01 -1.16 -4.89 120.40 111.42 1sqm s VAL 152 Ca 0.21 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1sqm s VAL 152 Cb 0.19 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1sqm s VAL 152 CO 0.53 0.56 -0.20 -0.54 0.00 0.00 0.00 175.10 175.46 1sqm s LYS 153 N 0.01 2.00 0.13 2.72 1.02 -1.26 -4.17 119.74 120.18 1sqm s LYS 153 Ca -0.09 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 1sqm s LYS 153 Cb -0.15 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1sqm s LYS 153 CO 0.05 0.30 0.08 -0.48 -0.92 0.00 0.00 175.35 174.38 1sqm s LEU 154 N -0.06 1.73 0.41 3.17 2.34 0.35 -4.68 118.68 121.95 1sqm s LEU 154 Ca -0.03 -1.13 0.08 0.00 0.06 0.00 0.00 54.13 53.11 1sqm s LEU 154 Cb -0.12 0.42 -0.00 0.00 -0.56 0.00 0.00 46.19 45.93 1sqm s LEU 154 CO 0.02 -0.74 0.49 0.42 -1.06 0.00 0.00 176.35 175.49 1sqm s THR 155 N -4.02 2.94 0.10 5.48 -4.23 -1.02 0.48 115.64 115.37 1sqm s THR 155 Ca 0.21 -1.13 -0.25 0.00 -1.18 0.00 0.00 61.69 59.35 1sqm s THR 155 Cb 0.07 -3.02 0.07 0.00 1.34 0.00 0.00 72.50 70.96 1sqm s THR 155 CO 0.00 -0.01 0.61 -0.72 -0.54 0.00 0.00 174.62 173.96 1sqm s TYR 156 N -2.38 -0.55 0.07 3.99 -0.85 -0.81 -1.29 117.35 115.52 1sqm s TYR 156 Ca 0.52 0.53 0.04 0.00 -0.52 0.00 0.00 57.07 57.64 1sqm s TYR 156 Cb -0.08 0.50 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 1sqm s TYR 156 CO 0.31 -0.77 -0.11 0.95 -1.52 0.00 0.00 175.55 174.41 1sqm s THR 157 N -3.02 0.89 -0.07 -3.49 -4.23 -0.70 0.46 115.64 105.49 1sqm s THR 157 Ca -0.02 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1sqm s THR 157 Cb -0.01 -1.04 0.06 0.00 1.34 0.00 0.00 72.50 72.85 1sqm s THR 157 CO -0.06 -0.38 0.57 0.00 -0.54 0.00 0.00 174.62 174.20 1sqm s ALA 158 N -1.70 -1.45 -0.08 3.99 0.00 -0.03 -1.14 121.76 121.34 1sqm s ALA 158 Ca -0.02 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.06 1sqm s ALA 158 Cb -0.08 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1sqm s ALA 158 CO 0.01 -0.33 -0.10 -1.21 0.00 0.00 0.00 175.76 174.14 1sqm s GLU 159 N -0.98 1.55 -0.12 0.00 8.01 0.01 -0.07 118.70 127.10 1sqm s GLU 159 Ca -0.10 -0.33 0.01 0.00 0.01 0.00 0.00 54.97 54.57 1sqm s GLU 159 Cb -0.02 -1.41 0.02 0.00 -4.31 0.00 0.00 34.13 28.40 1sqm s GLU 159 CO 0.07 -0.09 -0.16 0.08 0.01 0.00 0.00 175.26 175.18 1sqm s VAL 160 N 1.06 1.56 -0.09 2.63 1.01 0.13 -1.69 120.40 125.00 1sqm s VAL 160 Ca -0.07 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 1sqm s VAL 160 Cb -0.15 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1sqm s VAL 160 CO -0.01 0.45 0.47 -0.55 0.00 0.00 0.00 175.10 175.46 1sqm s SER 161 N 1.08 6.71 0.02 3.32 0.15 0.10 -1.04 113.70 124.05 1sqm s SER 161 Ca -0.04 0.85 -0.12 0.00 0.70 0.00 0.00 55.95 57.34 1sqm s SER 161 Cb -0.15 -2.28 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 1sqm s SER 161 CO -0.03 0.06 0.24 0.68 1.20 0.00 0.00 173.24 175.39 1sqm s VAL 162 N 0.29 0.09 0.08 4.45 -7.23 0.73 -1.22 120.40 117.59 1sqm s VAL 162 Ca 0.25 -0.72 -0.37 0.00 -1.81 0.00 0.00 61.98 59.34 1sqm s VAL 162 Cb -0.15 -0.80 -0.18 0.00 0.56 0.00 0.00 36.38 35.81 1sqm s VAL 162 CO 0.11 -0.40 1.18 -2.65 -0.31 0.00 0.00 175.10 173.03 1sqm n PRO 163 N 0.88 0.73 -0.28 4.82 -0.02 -1.26 -0.18 135.00 139.68 1sqm n PRO 163 Ca -0.20 0.26 0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1sqm n PRO 163 Cb 0.58 -1.80 0.52 0.00 -0.02 0.00 0.00 33.50 32.78 1sqm n PRO 163 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sqm n LYS 164 N 1.97 -0.05 0.00 -0.52 4.81 -0.30 -0.43 118.16 123.64 1sqm n LYS 164 Ca 0.18 1.23 0.14 0.00 -0.87 0.00 0.00 58.31 58.99 1sqm n LYS 164 Cb 0.17 -2.20 0.61 0.00 0.02 0.00 0.00 35.03 33.63 1sqm n LYS 164 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1sqm n GLU 165 N -5.01 0.23 -3.17 1.64 0.00 -1.26 -4.80 120.64 108.27 1sqm n GLU 165 Ca 0.34 -0.04 -0.20 0.00 0.00 0.00 0.00 57.16 57.26 1sqm n GLU 165 Cb 1.14 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 31.11 1sqm n GLU 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1sqm s LEU 166 N -2.80 3.27 -0.06 -1.84 1.43 0.42 -4.81 118.68 114.29 1sqm s LEU 166 Ca 0.20 -0.74 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1sqm s LEU 166 Cb 0.19 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1sqm s LEU 166 CO 0.52 -1.06 -0.11 -0.69 0.23 0.00 0.00 176.35 175.24 1sqm s VAL 167 N -2.56 1.06 -0.03 -1.59 1.01 0.76 -4.91 120.40 114.14 1sqm s VAL 167 Ca 0.55 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1sqm s VAL 167 Cb -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1sqm s VAL 167 CO 0.34 0.34 0.08 0.00 0.00 0.00 0.00 175.10 175.87 1sqm s ALA 168 N 0.72 3.61 0.00 5.51 0.00 -1.26 -1.35 121.76 128.98 1sqm s ALA 168 Ca -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1sqm s ALA 168 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1sqm s ALA 168 CO 0.03 0.67 0.06 -0.51 0.00 0.00 0.00 175.76 176.01 1sqm s LEU 169 N -1.52 1.86 0.20 0.00 1.43 -0.34 -5.00 118.68 115.32 1sqm s LEU 169 Ca 0.21 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1sqm s LEU 169 Cb -0.12 0.34 -0.04 0.00 0.03 0.00 0.00 46.19 46.40 1sqm s LEU 169 CO 0.11 -0.25 0.11 -0.04 0.23 0.00 0.00 176.35 176.50 1sqm s MET 170 N -1.04 1.21 -1.05 1.70 -1.94 -1.26 -1.07 119.30 115.84 1sqm s MET 170 Ca -0.11 -1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 52.11 1sqm s MET 170 Cb -0.07 0.13 -0.08 0.00 2.01 0.00 0.00 34.83 36.82 1sqm s MET 170 CO 0.00 -0.34 2.20 -1.13 -0.01 0.00 0.00 175.02 175.74 1sqm n SER 171 N -0.29 4.65 -3.34 3.03 3.41 -1.03 -4.68 113.62 115.37 1sqm n SER 171 Ca 0.00 -2.53 -0.04 0.00 -0.26 0.00 0.00 58.87 56.04 1sqm n SER 171 Cb 0.66 -1.25 0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1sqm n SER 171 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqm s ALA 172 N 3.66 -1.53 0.02 7.33 0.00 -1.11 -4.63 121.76 125.51 1sqm s ALA 172 Ca 0.50 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1sqm s ALA 172 Cb 0.13 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.95 1sqm s ALA 172 CO -0.00 -1.06 0.70 0.42 0.00 0.00 0.00 175.76 175.82 1sqm s ILE 173 N -2.23 4.81 0.12 0.00 -1.09 -0.47 -4.83 121.20 117.51 1sqm s ILE 173 Ca 0.21 1.49 -0.31 0.00 -2.23 0.00 0.00 60.65 59.80 1sqm s ILE 173 Cb -0.03 -4.05 -0.08 0.00 -1.58 0.00 0.00 42.46 36.72 1sqm s ILE 173 CO 0.06 0.38 1.45 -0.13 -1.23 0.00 0.00 174.94 175.46 1sqm s ARG 174 N -0.06 4.28 -0.25 2.79 0.52 -1.26 -2.10 118.95 122.88 1sqm s ARG 174 Ca 0.36 2.16 0.09 0.00 -0.52 0.00 0.00 55.73 57.82 1sqm s ARG 174 Cb -0.20 -3.26 0.44 0.00 0.52 0.00 0.00 34.95 32.46 1sqm s ARG 174 CO 0.21 -0.50 1.20 -3.47 0.02 0.00 0.00 175.30 172.75 1sqm n ASP 175 N 4.12 3.40 0.00 0.23 2.03 0.08 -4.92 116.55 121.48 1sqm n ASP 175 Ca 0.12 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.66 1sqm n ASP 175 Cb 0.41 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1sqm n ASP 175 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sqm n GLY 176 N -0.87 1.63 3.25 0.27 0.00 -1.25 -4.69 105.19 103.51 1sqm n GLY 176 Ca 0.32 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1sqm n GLY 176 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqm s GLU 177 N -1.86 0.85 0.11 1.61 -1.05 -1.26 -1.27 118.70 115.83 1sqm s GLU 177 Ca 0.00 -0.65 -0.25 0.00 -0.15 0.00 0.00 54.97 53.92 1sqm s GLU 177 Cb 0.00 0.36 0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1sqm s GLU 177 CO 0.00 -0.28 0.80 0.95 0.95 0.00 0.00 175.26 177.68 1sqm s THR 178 N -3.04 0.00 0.53 1.83 -4.23 -0.46 -4.98 115.64 105.28 1sqm s THR 178 Ca -0.02 -0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.05 1sqm s THR 178 Cb 0.01 -1.31 -0.06 0.00 1.34 0.00 0.00 72.50 72.48 1sqm s THR 178 CO -0.06 0.00 1.14 -2.84 -0.54 0.00 0.00 174.62 172.32 1sqm s PRO 179 N -3.43 3.43 -0.45 3.99 0.02 -1.26 0.19 135.00 137.48 1sqm s PRO 179 Ca 0.06 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.46 1sqm s PRO 179 Cb -0.02 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1sqm s PRO 179 CO -0.06 -0.80 1.24 0.34 -0.33 0.00 0.00 177.00 177.38 1sqm s ASP 180 N -1.66 6.53 0.43 2.53 -1.08 -0.41 -4.64 116.67 118.38 1sqm s ASP 180 Ca 0.71 0.61 0.19 0.00 -0.52 0.00 0.00 52.55 53.53 1sqm s ASP 180 Cb -0.25 -2.55 1.12 0.00 -1.46 0.00 0.00 42.92 39.78 1sqm s ASP 180 CO 0.29 -1.31 1.87 -0.65 0.52 0.00 0.00 175.17 175.89 1sqm h PRO 181 N 9.75 0.35 -0.71 4.34 0.11 -1.92 -1.59 132.00 142.32 1sqm h PRO 181 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1sqm h PRO 181 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1sqm h PRO 181 CO 1.11 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 178.28 1sqm n GLU 182 N -4.48 3.44 0.00 1.05 0.28 -1.26 -4.69 120.64 114.98 1sqm n GLU 182 Ca 0.18 -2.02 0.00 0.00 -0.16 0.00 0.00 57.16 55.16 1sqm n GLU 182 Cb 0.69 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.60 1sqm n GLU 182 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1sqm n ASP 183 N 0.44 0.00 -0.10 -1.84 4.64 -0.60 -5.05 116.55 114.04 1sqm n ASP 183 Ca 0.18 0.00 0.25 0.00 -1.38 0.00 0.00 54.79 53.84 1sqm n ASP 183 Cb 0.83 0.00 0.51 0.00 -1.04 0.00 0.00 41.12 41.42 1sqm n ASP 183 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1sqm h PRO 184 N 0.00 0.00 -0.05 -0.67 0.11 -1.83 -0.69 132.00 128.87 1sqm h PRO 184 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1sqm h PRO 184 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sqm h PRO 184 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 1sqm n SER 185 N -3.32 0.34 -4.40 -2.05 3.41 -1.26 -4.82 113.62 101.52 1sqm n SER 185 Ca 0.18 -1.81 -0.20 0.00 -0.26 0.00 0.00 58.87 56.78 1sqm n SER 185 Cb 1.25 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 65.06 1sqm n SER 185 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sqm s ARG 186 N -1.93 1.49 0.11 4.33 0.52 -0.26 -1.15 118.95 122.06 1sqm s ARG 186 Ca 0.13 -1.76 0.08 0.00 -0.52 0.00 0.00 55.73 53.66 1sqm s ARG 186 Cb 0.07 -0.99 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 1sqm s ARG 186 CO 0.10 -0.01 -0.19 0.15 0.02 0.00 0.00 175.30 175.37 1sqm s LYS 187 N -3.77 1.11 -0.18 3.54 1.02 0.75 -1.28 119.74 120.92 1sqm s LYS 187 Ca 0.29 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 1sqm s LYS 187 Cb 0.04 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 36.07 1sqm s LYS 187 CO 0.11 0.29 -0.16 -1.50 -0.92 0.00 0.00 175.35 173.17 1sqm s ILE 188 N -1.36 2.48 -0.15 2.17 1.10 0.13 -0.19 121.20 125.37 1sqm s ILE 188 Ca 0.07 -0.81 -0.06 0.00 -0.51 0.00 0.00 60.65 59.34 1sqm s ILE 188 Cb -0.09 -2.06 -0.04 0.00 0.15 0.00 0.00 42.46 40.42 1sqm s ILE 188 CO 0.04 0.51 0.06 -0.31 -2.11 0.00 0.00 174.94 173.13 1sqm s TYR 189 N 1.18 3.27 0.04 3.50 2.02 -0.21 -1.36 117.35 125.80 1sqm s TYR 189 Ca 0.02 0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 1sqm s TYR 189 Cb -0.14 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 1sqm s TYR 189 CO -0.07 0.29 -0.02 0.15 -1.57 0.00 0.00 175.55 174.33 1sqm s LYS 190 N -0.07 2.59 0.03 -0.62 1.02 -0.40 -0.69 119.74 121.59 1sqm s LYS 190 Ca 0.06 -0.75 -0.06 0.00 0.02 0.00 0.00 55.97 55.24 1sqm s LYS 190 Cb -0.12 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.63 1sqm s LYS 190 CO 0.01 0.58 0.10 -0.06 -0.92 0.00 0.00 175.35 175.06 1sqm s PHE 191 N -1.16 0.15 -0.09 3.18 0.08 0.90 -0.74 117.98 120.29 1sqm s PHE 191 Ca 0.21 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 1sqm s PHE 191 Cb -0.11 -0.11 0.04 0.00 -0.57 0.00 0.00 43.02 42.27 1sqm s PHE 191 CO 0.13 -0.33 0.21 -1.50 -0.10 0.00 0.00 175.22 173.63 1sqm s ILE 192 N -2.13 -0.04 -0.29 0.64 2.07 -0.89 -0.85 121.20 119.71 1sqm s ILE 192 Ca -0.09 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.33 1sqm s ILE 192 Cb -0.04 -0.33 0.07 0.00 0.13 0.00 0.00 42.46 42.29 1sqm s ILE 192 CO -0.02 0.06 -0.05 -1.58 -1.91 0.00 0.00 174.94 171.44 1sqm s GLN 193 N 1.20 2.09 0.15 3.50 2.00 0.17 -1.36 119.66 127.42 1sqm s GLN 193 Ca -0.09 -1.47 0.24 0.00 -2.00 0.00 0.00 55.36 52.04 1sqm s GLN 193 Cb -0.10 -3.02 0.38 0.00 0.80 0.00 0.00 33.01 31.06 1sqm s GLN 193 CO -0.07 -0.67 1.37 0.87 -0.50 0.00 0.00 175.29 176.28 1sqm h LYS 194 N 7.78 0.00 -5.46 1.67 1.57 -1.98 -2.15 116.57 118.00 1sqm h LYS 194 Ca -0.16 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.02 1sqm h LYS 194 Cb 1.04 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.24 1sqm h LYS 194 CO 0.49 0.00 -0.18 0.08 -0.57 0.00 0.00 179.45 179.28 1sqm s VAL 195 N -3.17 5.19 0.21 0.50 1.01 -1.26 -4.93 120.40 117.94 1sqm s VAL 195 Ca 0.06 0.75 -0.32 0.00 0.00 0.00 0.00 61.98 62.47 1sqm s VAL 195 Cb 0.13 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.62 1sqm s VAL 195 CO 0.71 0.25 1.47 -2.65 0.00 0.00 0.00 175.10 174.87 1sqm n PRO 196 N 4.46 2.08 -3.98 2.72 -0.02 -1.26 -4.63 135.00 134.37 1sqm n PRO 196 Ca -0.08 0.75 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1sqm n PRO 196 Cb 0.51 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 1sqm n PRO 196 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1sqm s ILE 197 N 0.27 0.12 0.53 4.25 -4.36 0.18 -4.73 121.20 117.45 1sqm s ILE 197 Ca 0.72 -0.98 -0.20 0.00 -0.26 0.00 0.00 60.65 59.93 1sqm s ILE 197 Cb -0.66 -0.38 -0.06 0.00 1.25 0.00 0.00 42.46 42.61 1sqm s ILE 197 CO 0.46 -0.54 1.12 -2.16 0.24 0.00 0.00 174.94 174.06 1sqm s PRO 198 N -1.68 3.44 0.53 0.37 0.04 -1.26 -0.50 135.00 135.95 1sqm s PRO 198 Ca -0.14 1.59 0.36 0.00 0.04 0.00 0.00 61.00 62.84 1sqm s PRO 198 Cb -0.08 -2.04 1.78 0.00 0.04 0.00 0.00 34.50 34.20 1sqm s PRO 198 CO -0.02 -0.77 2.08 0.00 0.04 0.00 0.00 177.00 178.33 1sqm n TYR 200 N -2.85 0.17 1.37 0.00 0.18 -1.26 -1.67 117.16 113.11 1sqm n TYR 200 Ca -0.01 0.07 0.13 0.00 1.88 0.00 0.00 57.90 59.98 1sqm n TYR 200 Cb 0.14 -0.62 0.43 0.00 -0.38 0.00 0.00 39.34 38.92 1sqm n TYR 200 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1sqm n LEU 201 N -1.66 1.57 -4.70 -3.48 4.77 -0.94 -3.51 117.00 109.05 1sqm n LEU 201 Ca 0.03 -0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 1sqm n LEU 201 Cb 0.15 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1sqm n LEU 201 CO 0.12 0.27 1.06 -0.63 -1.33 0.00 0.00 177.39 176.88 1sqm s ILE 202 N -2.13 3.62 0.02 -0.08 1.01 -0.67 -4.39 121.20 118.58 1sqm s ILE 202 Ca 0.33 1.10 -0.02 0.00 0.00 0.00 0.00 60.65 62.06 1sqm s ILE 202 Cb 0.20 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1sqm s ILE 202 CO 0.38 0.04 0.02 0.00 0.00 0.00 0.00 174.94 175.38 1sqm s ALA 203 N 1.70 -0.00 -0.06 9.38 0.00 -1.26 -4.51 121.76 127.01 1sqm s ALA 203 Ca 0.63 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 1sqm s ALA 203 Cb -0.33 0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1sqm s ALA 203 CO 0.28 -0.18 0.16 -1.17 0.00 0.00 0.00 175.76 174.85 1sqm s LEU 204 N -1.48 1.31 -0.00 0.00 2.96 -1.26 -2.47 118.68 117.75 1sqm s LEU 204 Ca -0.15 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1sqm s LEU 204 Cb -0.09 0.54 -0.00 0.00 0.50 0.00 0.00 46.19 47.14 1sqm s LEU 204 CO -0.00 -0.07 -0.04 0.54 -1.32 0.00 0.00 176.35 175.46 1sqm s VAL 205 N 0.20 0.29 -0.06 1.68 0.11 -0.23 -1.14 120.40 121.24 1sqm s VAL 205 Ca -0.01 -0.17 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1sqm s VAL 205 Cb -0.02 -0.25 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1sqm s VAL 205 CO -0.00 0.07 0.02 -0.69 -3.33 0.00 0.00 175.10 171.17 1sqm s VAL 206 N -0.10 0.25 0.12 2.04 1.01 0.78 -1.20 120.40 123.29 1sqm s VAL 206 Ca 0.01 0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1sqm s VAL 206 Cb -0.02 -0.43 0.07 0.00 0.00 0.00 0.00 36.38 36.01 1sqm s VAL 206 CO -0.00 0.24 0.99 0.61 0.00 0.00 0.00 175.10 176.93 1sqm n GLY 207 N 5.15 0.56 3.56 4.51 0.00 -0.46 -0.41 105.19 118.11 1sqm n GLY 207 Ca -0.07 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1sqm n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqm s ALA 208 N -1.93 3.42 0.09 4.61 0.00 -1.26 -0.17 121.76 126.51 1sqm s ALA 208 Ca 0.22 -2.98 -0.05 0.00 0.00 0.00 0.00 51.96 49.15 1sqm s ALA 208 Cb -0.02 -4.57 -0.05 0.00 0.00 0.00 0.00 23.12 18.48 1sqm s ALA 208 CO 0.04 -3.22 0.33 -0.51 0.00 0.00 0.00 175.76 172.39 1sqm s LEU 209 N 3.83 4.32 0.09 0.00 1.43 -1.26 -4.32 118.68 122.77 1sqm s LEU 209 Ca 0.52 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1sqm s LEU 209 Cb 0.03 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1sqm s LEU 209 CO 0.06 0.13 -0.08 -1.61 0.23 0.00 0.00 176.35 175.09 1sqm s GLU 210 N -2.31 0.81 0.26 1.70 2.02 -0.04 -4.88 118.70 116.27 1sqm s GLU 210 Ca 0.36 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1sqm s GLU 210 Cb -0.13 -0.31 -0.05 0.00 0.10 0.00 0.00 34.13 33.74 1sqm s GLU 210 CO 0.22 0.02 0.03 -1.54 0.02 0.00 0.00 175.26 174.01 1sqm s SER 211 N -2.75 1.82 -0.20 -0.19 1.04 -1.26 -1.84 113.70 110.32 1sqm s SER 211 Ca 0.08 -1.29 -0.14 0.00 0.48 0.00 0.00 55.95 55.08 1sqm s SER 211 Cb 0.02 0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.22 1sqm s SER 211 CO -0.03 -0.58 0.51 -0.60 0.98 0.00 0.00 173.24 173.53 1sqm s ARG 212 N -3.91 0.54 0.16 4.02 3.52 -0.69 -4.98 118.95 117.62 1sqm s ARG 212 Ca 0.32 0.86 -0.30 0.00 -0.13 0.00 0.00 55.73 56.49 1sqm s ARG 212 Cb 0.07 0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.52 1sqm s ARG 212 CO 0.11 -0.12 0.97 -1.14 -0.81 0.00 0.00 175.30 174.31 1sqm s GLN 213 N 1.04 4.74 0.00 5.12 0.74 -1.26 -0.65 119.66 129.38 1sqm s GLN 213 Ca -0.06 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.85 1sqm s GLN 213 Cb -0.06 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.72 1sqm s GLN 213 CO -0.09 0.29 0.47 0.44 -0.55 0.00 0.00 175.29 175.85 1sqm n ILE 214 N 2.32 0.20 -3.69 -2.34 -5.35 -0.07 -4.93 119.36 105.51 1sqm n ILE 214 Ca 0.01 -0.42 -0.01 0.00 -0.27 0.00 0.00 62.75 62.06 1sqm n ILE 214 Cb 0.48 1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 39.52 1sqm n ILE 214 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1sqm s GLY 215 N -0.20 -0.31 0.65 3.28 0.00 -1.16 -4.81 107.32 104.77 1sqm s GLY 215 Ca 0.00 0.41 0.42 0.00 0.00 0.00 0.00 44.72 45.55 1sqm s GLY 215 CO 0.00 0.07 2.32 -0.56 0.00 0.00 0.00 173.10 174.93 1sqm h PRO 216 N 2.00 0.00 0.00 2.90 0.13 -2.00 -2.80 132.00 132.23 1sqm h PRO 216 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1sqm h PRO 216 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 1sqm h PRO 216 CO 0.27 0.00 -0.57 2.89 -0.23 0.00 0.00 178.00 180.36 1sqm n ARG 217 N -3.15 0.49 -3.89 0.86 1.85 -1.26 -5.06 116.66 106.49 1sqm n ARG 217 Ca -0.03 -1.97 -0.18 0.00 -1.00 0.00 0.00 57.85 54.67 1sqm n ARG 217 Cb 0.10 -0.71 -0.17 0.00 -1.05 0.00 0.00 32.46 30.63 1sqm n ARG 217 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1sqm s THR 218 N -1.05 0.20 0.01 8.89 2.01 -1.06 -0.65 115.64 123.99 1sqm s THR 218 Ca 0.22 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.41 1sqm s THR 218 Cb 0.23 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 1sqm s THR 218 CO -0.06 0.17 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.06 1sqm s LEU 219 N 1.27 2.34 -0.14 4.42 1.02 -1.26 -0.89 118.68 125.43 1sqm s LEU 219 Ca -0.06 -0.45 -0.06 0.00 0.02 0.00 0.00 54.13 53.57 1sqm s LEU 219 Cb -0.13 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 1sqm s LEU 219 CO -0.02 0.29 0.08 -0.69 0.02 0.00 0.00 176.35 176.03 1sqm s VAL 220 N -0.77 4.99 0.02 -1.59 1.01 0.18 -0.99 120.40 123.24 1sqm s VAL 220 Ca 0.12 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1sqm s VAL 220 Cb -0.10 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1sqm s VAL 220 CO 0.02 0.54 -0.22 0.26 0.00 0.00 0.00 175.10 175.70 1sqm s TRP 221 N -0.37 1.98 -0.03 5.22 0.52 0.19 -1.70 118.94 124.74 1sqm s TRP 221 Ca 0.10 -0.38 -0.27 0.00 0.02 0.00 0.00 56.10 55.56 1sqm s TRP 221 Cb -0.12 -1.22 0.09 0.00 -1.15 0.00 0.00 33.47 31.08 1sqm s TRP 221 CO 0.02 0.05 1.23 -1.13 0.02 0.00 0.00 176.95 177.14 1sqm n SER 222 N 2.11 -1.10 -4.77 2.95 3.41 -0.76 0.13 113.62 115.58 1sqm n SER 222 Ca -0.16 -1.19 -0.30 0.00 -0.26 0.00 0.00 58.87 56.95 1sqm n SER 222 Cb 0.53 1.70 0.10 0.00 -0.26 0.00 0.00 64.21 66.28 1sqm n SER 222 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1sqm s GLU 223 N -2.01 2.08 0.23 4.33 2.02 -1.26 -0.86 118.70 123.24 1sqm s GLU 223 Ca 0.29 0.95 -0.12 0.00 0.02 0.00 0.00 54.97 56.10 1sqm s GLU 223 Cb -0.01 -1.89 0.31 0.00 0.10 0.00 0.00 34.13 32.64 1sqm s GLU 223 CO -0.01 -1.70 1.60 -0.22 0.02 0.00 0.00 175.26 174.95 1sqm h LYS 224 N -1.16 -0.02 0.00 1.61 3.64 -1.92 -1.83 116.57 116.90 1sqm h LYS 224 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1sqm h LYS 224 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1sqm h LYS 224 CO 0.55 -0.01 0.00 -0.85 -2.27 0.00 0.00 179.45 176.86 1sqm n GLU 225 N -5.50 0.08 0.00 1.90 0.00 -1.26 -2.94 120.64 112.91 1sqm n GLU 225 Ca 0.10 0.22 0.05 0.00 0.00 0.00 0.00 57.16 57.54 1sqm n GLU 225 Cb 0.39 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.28 1sqm n GLU 225 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1sqm n GLN 226 N -1.41 3.30 0.08 3.44 3.00 -0.70 -4.76 117.38 120.34 1sqm n GLN 226 Ca 0.05 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.85 1sqm n GLN 226 Cb 0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 30.24 29.26 1sqm n GLN 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1sqm h VAL 227 N 0.06 0.05 -0.35 5.09 2.07 -1.41 -1.01 116.25 120.74 1sqm h VAL 227 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1sqm h VAL 227 Cb 0.27 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1sqm h VAL 227 CO 0.00 0.00 0.16 -0.08 0.02 0.00 0.00 177.57 177.67 1sqm h GLU 228 N -0.68 0.32 -0.67 1.57 4.81 -1.86 -0.82 114.58 117.26 1sqm h GLU 228 Ca 0.02 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sqm h GLU 228 Cb 0.72 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1sqm h GLU 228 CO -0.32 0.21 0.34 -0.22 -0.73 0.00 0.00 179.01 178.29 1sqm h LYS 229 N 0.33 0.96 -0.55 1.92 3.64 -1.85 -2.76 116.57 118.27 1sqm h LYS 229 Ca 0.15 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 1sqm h LYS 229 Cb 0.08 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1sqm h LYS 229 CO -0.12 0.75 -0.04 0.77 -2.27 0.00 0.00 179.45 178.54 1sqm h SER 230 N 0.93 0.98 -0.78 4.20 0.02 -0.82 -0.75 113.55 117.33 1sqm h SER 230 Ca 0.23 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1sqm h SER 230 Cb 0.10 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1sqm h SER 230 CO -0.03 1.07 0.52 0.00 -1.14 0.00 0.00 176.83 177.24 1sqm h ALA 231 N 0.95 1.49 0.01 3.77 0.00 -0.94 -1.35 119.26 123.18 1sqm h ALA 231 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sqm h ALA 231 Cb 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sqm h ALA 231 CO 0.04 0.45 -0.19 -0.92 0.00 0.00 0.00 179.25 178.63 1sqm h TYR 232 N 1.01 0.18 -0.80 0.00 3.20 -1.30 -3.12 116.97 116.14 1sqm h TYR 232 Ca 0.30 -0.10 0.17 0.00 3.14 0.00 0.00 58.73 62.24 1sqm h TYR 232 Cb -0.03 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.16 1sqm h TYR 232 CO -0.00 0.93 0.54 1.49 -1.64 0.00 0.00 178.16 179.47 1sqm h GLU 233 N -0.62 0.36 -0.32 1.82 4.57 -0.81 -2.30 114.58 117.27 1sqm h GLU 233 Ca -0.03 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 1sqm h GLU 233 Cb 0.99 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 1sqm h GLU 233 CO 0.04 0.24 0.01 1.19 -1.18 0.00 0.00 179.01 179.30 1sqm n PHE 234 N -4.47 1.08 0.27 0.92 3.72 -0.54 -4.52 117.46 113.93 1sqm n PHE 234 Ca 0.16 -1.11 0.17 0.00 -0.05 0.00 0.00 57.45 56.62 1sqm n PHE 234 Cb 0.61 -0.39 0.88 0.00 -0.94 0.00 0.00 39.48 39.64 1sqm n PHE 234 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sqm h SER 235 N 1.57 0.00 0.27 4.37 4.64 -1.34 -2.24 113.55 120.82 1sqm h SER 235 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1sqm h SER 235 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1sqm h SER 235 CO 0.31 0.00 -0.04 -0.62 -0.87 0.00 0.00 176.83 175.61 1sqm n GLU 236 N -2.71 0.80 -0.04 4.77 1.02 -1.26 -4.42 120.64 118.81 1sqm n GLU 236 Ca -0.02 -0.17 -0.10 0.00 -0.02 0.00 0.00 57.16 56.85 1sqm n GLU 236 Cb 0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1sqm n GLU 236 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1sqm h THR 237 N 0.41 0.20 -0.61 2.62 2.02 -1.77 -0.47 112.91 115.31 1sqm h THR 237 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1sqm h THR 237 Cb 0.24 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1sqm h THR 237 CO 0.00 0.00 0.39 -0.08 0.37 0.00 0.00 175.52 176.20 1sqm h GLU 238 N -0.39 0.75 -0.76 6.66 4.57 -1.85 0.54 114.58 124.09 1sqm h GLU 238 Ca 0.11 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1sqm h GLU 238 Cb 0.58 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1sqm h GLU 238 CO -0.43 0.50 0.33 0.66 -1.18 0.00 0.00 179.01 178.89 1sqm h SER 239 N 0.77 1.01 -0.34 1.04 4.64 -1.77 -0.37 113.55 118.53 1sqm h SER 239 Ca 0.24 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 1sqm h SER 239 Cb -0.02 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.79 1sqm h SER 239 CO -0.08 0.87 -0.02 0.24 -0.87 0.00 0.00 176.83 176.97 1sqm h MET 240 N 1.09 0.71 -0.47 4.77 2.86 -0.37 -2.07 114.93 121.46 1sqm h MET 240 Ca 0.26 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1sqm h MET 240 Cb 0.16 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 1sqm h MET 240 CO -0.03 0.74 0.31 -0.07 1.06 0.00 0.00 176.91 178.92 1sqm h LEU 241 N 0.67 0.54 -0.94 1.22 3.38 0.48 -0.09 115.31 120.57 1sqm h LEU 241 Ca 0.13 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1sqm h LEU 241 Cb 0.44 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1sqm h LEU 241 CO 0.02 0.39 0.43 0.11 0.09 0.00 0.00 178.44 179.48 1sqm h LYS 242 N 0.63 1.18 -0.34 1.13 1.57 -0.83 0.69 116.57 120.61 1sqm h LYS 242 Ca 0.17 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1sqm h LYS 242 Cb -0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1sqm h LYS 242 CO -0.04 0.89 -0.21 0.82 -0.57 0.00 0.00 179.45 180.34 1sqm h ILE 243 N 1.18 1.29 -0.74 1.86 2.04 -0.96 -2.15 117.51 120.03 1sqm h ILE 243 Ca 0.29 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.83 1sqm h ILE 243 Cb 0.07 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1sqm h ILE 243 CO -0.04 0.44 0.47 0.00 0.00 0.00 0.00 178.15 179.02 1sqm h ALA 244 N 0.77 0.96 -0.85 1.87 0.00 -0.56 -0.96 119.26 120.48 1sqm h ALA 244 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sqm h ALA 244 Cb 0.77 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1sqm h ALA 244 CO 0.06 0.27 0.49 0.93 0.00 0.00 0.00 179.25 181.00 1sqm h GLU 245 N 0.92 1.17 -0.24 0.00 5.08 -0.66 0.42 114.58 121.27 1sqm h GLU 245 Ca 0.29 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1sqm h GLU 245 Cb -0.00 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1sqm h GLU 245 CO -0.10 0.83 -0.16 0.22 -1.00 0.00 0.00 179.01 178.80 1sqm h ASP 246 N 1.18 0.40 0.24 1.42 3.58 -0.63 0.23 116.42 122.84 1sqm h ASP 246 Ca 0.30 -0.11 -0.34 0.00 0.42 0.00 0.00 57.03 57.30 1sqm h ASP 246 Cb -0.02 -0.11 0.03 0.00 1.72 0.00 0.00 39.33 40.96 1sqm h ASP 246 CO -0.05 0.59 -1.56 -0.07 -2.88 0.00 0.00 179.24 175.27 1sqm h LEU 247 N 0.38 0.80 -0.74 2.28 4.07 -0.14 -3.40 115.31 118.57 1sqm h LEU 247 Ca 0.07 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1sqm h LEU 247 Cb 0.51 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1sqm h LEU 247 CO 0.03 1.74 -0.20 0.61 -1.08 0.00 0.00 178.44 179.54 1sqm n GLY 248 N 1.76 -0.16 0.00 0.83 0.00 0.14 -4.30 105.19 103.45 1sqm n GLY 248 Ca -0.19 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1sqm n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqm n GLY 249 N 0.88 0.58 3.60 -0.02 0.00 0.81 -4.80 105.19 106.24 1sqm n GLY 249 Ca 0.04 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 1sqm n GLY 249 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sqm n PRO 250 N -0.03 1.27 -2.92 1.61 -0.04 -1.26 -4.32 135.00 129.31 1sqm n PRO 250 Ca 0.00 0.46 -0.42 0.00 -0.04 0.00 0.00 63.50 63.50 1sqm n PRO 250 Cb 0.00 -2.00 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 1sqm n PRO 250 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1sqm s TYR 251 N -1.29 3.24 -2.58 0.54 5.04 -1.26 -4.92 117.35 116.12 1sqm s TYR 251 Ca 0.64 0.93 0.23 0.00 -2.44 0.00 0.00 57.07 56.43 1sqm s TYR 251 Cb -0.56 -3.17 0.47 0.00 0.35 0.00 0.00 41.96 39.05 1sqm s TYR 251 CO 0.57 -0.51 1.42 1.33 -1.34 0.00 0.00 175.55 177.01 1sqm n VAL 252 N 5.45 0.28 1.33 3.14 0.24 -1.26 -4.49 118.33 123.02 1sqm n VAL 252 Ca 0.04 -0.57 0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1sqm n VAL 252 Cb 0.48 0.97 0.39 0.00 -1.47 0.00 0.00 33.84 34.21 1sqm n VAL 252 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 1sqm n TRP 253 N 1.14 0.00 0.00 6.34 7.02 -1.26 -4.98 117.44 125.70 1sqm n TRP 253 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 1sqm n TRP 253 Cb 0.54 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1sqm n TRP 253 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1sqm n GLY 254 N 1.26 2.06 3.87 6.99 0.00 -1.26 -4.80 105.19 113.31 1sqm n GLY 254 Ca 0.16 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1sqm n GLY 254 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sqm s GLN 255 N 0.00 3.14 -0.39 1.61 2.00 -1.26 -4.96 119.66 119.80 1sqm s GLN 255 Ca 0.00 -0.82 0.01 0.00 -2.00 0.00 0.00 55.36 52.55 1sqm s GLN 255 Cb 0.00 -2.75 0.14 0.00 0.80 0.00 0.00 33.01 31.20 1sqm s GLN 255 CO 0.00 0.47 0.23 -0.47 -0.50 0.00 0.00 175.29 175.01 1sqm s TYR 256 N -1.88 1.25 0.36 1.67 5.04 0.18 -4.28 117.35 119.69 1sqm s TYR 256 Ca 0.33 -1.98 0.04 0.00 -2.44 0.00 0.00 57.07 53.02 1sqm s TYR 256 Cb -0.10 -1.31 -0.01 0.00 0.35 0.00 0.00 41.96 40.89 1sqm s TYR 256 CO 0.26 -0.81 0.52 -0.51 -1.34 0.00 0.00 175.55 173.68 1sqm s ASP 257 N 0.73 6.01 -0.05 4.32 1.01 -0.51 -4.09 116.67 124.09 1sqm s ASP 257 Ca 0.19 0.06 0.05 0.00 0.71 0.00 0.00 52.55 53.56 1sqm s ASP 257 Cb -0.22 -1.50 -0.01 0.00 1.01 0.00 0.00 42.92 42.20 1sqm s ASP 257 CO -0.00 -0.45 -0.22 -0.76 0.21 0.00 0.00 175.17 173.95 1sqm s LEU 258 N -4.28 2.01 -0.13 1.23 1.43 -0.17 -1.39 118.68 117.38 1sqm s LEU 258 Ca 0.44 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1sqm s LEU 258 Cb -0.10 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1sqm s LEU 258 CO 0.33 0.21 -0.20 -0.22 0.23 0.00 0.00 176.35 176.71 1sqm s LEU 259 N -0.10 2.27 -0.42 1.79 2.96 0.00 0.53 118.68 125.72 1sqm s LEU 259 Ca -0.03 -0.53 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 1sqm s LEU 259 Cb -0.13 -1.49 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1sqm s LEU 259 CO 0.03 0.11 0.28 -0.69 -1.32 0.00 0.00 176.35 174.76 1sqm s VAL 260 N 0.64 4.55 0.92 1.68 1.01 0.12 -1.23 120.40 128.09 1sqm s VAL 260 Ca -0.10 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.57 1sqm s VAL 260 Cb -0.16 -3.71 0.15 0.00 0.00 0.00 0.00 36.38 32.66 1sqm s VAL 260 CO 0.02 -0.45 1.17 -0.76 0.00 0.00 0.00 175.10 175.08 1sqm s LEU 261 N 1.51 2.10 1.09 3.92 1.02 -0.97 -4.58 118.68 122.76 1sqm s LEU 261 Ca 0.03 0.81 -0.13 0.00 0.02 0.00 0.00 54.13 54.86 1sqm s LEU 261 Cb -0.22 -3.08 0.24 0.00 0.02 0.00 0.00 46.19 43.14 1sqm s LEU 261 CO 0.04 -2.57 1.06 -2.84 0.02 0.00 0.00 176.35 172.07 1sqm s PRO 262 N -5.43 -0.29 0.60 1.29 0.02 -1.26 -3.92 135.00 126.01 1sqm s PRO 262 Ca 0.65 0.59 0.31 0.00 0.02 0.00 0.00 61.00 62.57 1sqm s PRO 262 Cb -0.12 -1.65 1.81 0.00 0.02 0.00 0.00 34.50 34.57 1sqm s PRO 262 CO 0.53 -3.24 2.20 -1.35 -0.33 0.00 0.00 177.00 174.81 1sqm h PRO 263 N -2.26 0.00 -0.01 5.54 0.11 -1.90 -2.93 132.00 130.55 1sqm h PRO 263 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 1sqm h PRO 263 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1sqm h PRO 263 CO 0.55 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 1sqm n SER 264 N -3.74 0.09 -4.68 -2.05 3.41 -1.26 0.19 113.62 105.58 1sqm n SER 264 Ca -0.01 -1.28 -0.46 0.00 -0.26 0.00 0.00 58.87 56.86 1sqm n SER 264 Cb 0.17 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1sqm n SER 264 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1sqm n PHE 265 N -0.81 2.38 0.30 7.33 7.35 -1.11 -4.60 117.46 128.31 1sqm n PHE 265 Ca 0.18 0.02 0.19 0.00 -0.76 0.00 0.00 57.45 57.08 1sqm n PHE 265 Cb 0.10 -2.65 1.02 0.00 0.35 0.00 0.00 39.48 38.29 1sqm n PHE 265 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1sqm h PRO 266 N 8.16 0.00 -5.45 -7.13 0.13 -1.89 -3.26 132.00 122.56 1sqm h PRO 266 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 1sqm h PRO 266 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 1sqm h PRO 266 CO 0.93 0.00 -0.59 0.71 -0.23 0.00 0.00 178.00 178.82 1sqm s TYR 267 N -4.38 2.25 0.17 1.56 2.02 -1.26 -1.22 117.35 116.49 1sqm s TYR 267 Ca -0.05 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 55.79 1sqm s TYR 267 Cb 0.14 -1.58 0.05 0.00 -0.40 0.00 0.00 41.96 40.17 1sqm s TYR 267 CO 0.46 0.26 1.46 0.78 -1.57 0.00 0.00 175.55 176.94 1sqm h GLY 268 N 1.85 0.64 -3.25 0.71 0.00 -1.93 -3.34 103.07 97.74 1sqm h GLY 268 Ca -0.43 -0.79 0.06 0.00 0.00 0.00 0.00 47.33 46.17 1sqm h GLY 268 CO 0.76 0.71 0.38 -0.32 0.00 0.00 0.00 176.54 178.07 1sqm s GLY 269 N -4.15 -0.52 -0.03 4.60 0.00 -1.26 -0.90 107.32 105.06 1sqm s GLY 269 Ca -0.08 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.47 1sqm s GLY 269 CO 0.85 0.29 0.04 -0.29 0.00 0.00 0.00 173.10 173.99 1sqm s MET 270 N -3.30 -0.04 0.00 2.90 1.75 0.37 -4.97 119.30 116.02 1sqm s MET 270 Ca 0.03 0.27 -0.02 0.00 -1.25 0.00 0.00 55.69 54.72 1sqm s MET 270 Cb -0.01 -0.37 -0.09 0.00 2.84 0.00 0.00 34.83 37.20 1sqm s MET 270 CO -0.10 -0.24 2.03 -0.85 -0.65 0.00 0.00 175.02 175.21 1sqm n GLU 271 N 4.66 1.05 -1.77 4.11 0.00 -1.26 -1.32 120.64 126.11 1sqm n GLU 271 Ca -0.17 -0.32 -0.42 0.00 0.00 0.00 0.00 57.16 56.25 1sqm n GLU 271 Cb 0.50 -1.46 -0.03 0.00 0.00 0.00 0.00 31.44 30.45 1sqm n GLU 271 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1sqm s ASN 272 N 2.12 6.44 0.26 -1.84 0.02 -1.26 -4.88 114.94 115.80 1sqm s ASN 272 Ca 0.22 2.77 -0.31 0.00 -1.02 0.00 0.00 52.86 54.52 1sqm s ASN 272 Cb 0.10 -2.59 -0.12 0.00 0.02 0.00 0.00 41.25 38.67 1sqm s ASN 272 CO 0.00 -0.96 1.59 -0.81 0.02 0.00 0.00 177.10 176.95 1sqm n PRO 273 N 4.62 2.59 0.00 -0.60 -0.04 -1.26 -1.93 135.00 138.38 1sqm n PRO 273 Ca 0.16 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 1sqm n PRO 273 Cb 0.37 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1sqm n PRO 273 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqm s LEU 275 N 0.00 -0.08 0.31 0.00 2.96 -0.81 -1.43 118.68 119.63 1sqm s LEU 275 Ca 0.00 -2.11 -0.29 0.00 -0.22 0.00 0.00 54.13 51.51 1sqm s LEU 275 Cb 0.00 0.72 -0.10 0.00 0.50 0.00 0.00 46.19 47.31 1sqm s LEU 275 CO 0.00 -0.16 1.38 -0.89 -1.32 0.00 0.00 176.35 175.37 1sqm s THR 276 N 0.79 2.58 -0.15 3.68 2.01 -0.49 -4.15 115.64 119.90 1sqm s THR 276 Ca 0.27 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 1sqm s THR 276 Cb -0.03 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1sqm s THR 276 CO -0.09 0.12 0.14 -0.36 -0.69 0.00 0.00 174.62 173.73 1sqm s PHE 277 N -0.74 3.52 0.08 4.92 0.40 -0.44 -0.82 117.98 124.90 1sqm s PHE 277 Ca 0.53 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.34 1sqm s PHE 277 Cb -0.42 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 1sqm s PHE 277 CO 0.51 0.54 -0.09 0.14 0.70 0.00 0.00 175.22 177.03 1sqm s VAL 278 N -0.42 0.78 0.37 -0.44 -7.23 -0.37 -0.48 120.40 112.62 1sqm s VAL 278 Ca 0.12 -1.58 -0.25 0.00 -1.81 0.00 0.00 61.98 58.47 1sqm s VAL 278 Cb -0.12 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.47 1sqm s VAL 278 CO 0.02 -0.59 1.04 0.28 -0.31 0.00 0.00 175.10 175.53 1sqm s THR 279 N -2.48 3.77 -1.65 5.32 -1.32 -0.08 -2.30 115.64 116.92 1sqm s THR 279 Ca 0.03 1.42 0.23 0.00 -1.21 0.00 0.00 61.69 62.16 1sqm s THR 279 Cb -0.03 -3.76 0.49 0.00 -1.51 0.00 0.00 72.50 67.69 1sqm s THR 279 CO -0.01 0.07 1.74 -0.81 -2.21 0.00 0.00 174.62 173.40 1sqm n PRO 280 N 0.17 0.48 0.00 7.08 -0.04 -1.25 -2.67 135.00 138.77 1sqm n PRO 280 Ca 0.04 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1sqm n PRO 280 Cb 0.49 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 33.06 1sqm n PRO 280 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sqm n THR 281 N -1.18 0.16 0.58 0.52 -2.24 -1.26 -1.99 114.28 108.87 1sqm n THR 281 Ca 0.13 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 1sqm n THR 281 Cb 0.14 -0.69 0.37 0.00 -2.10 0.00 0.00 70.33 68.05 1sqm n THR 281 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sqm h LEU 282 N 0.00 0.00 -6.47 3.22 3.38 -1.88 -3.40 115.31 110.16 1sqm h LEU 282 Ca 0.00 -0.01 -0.65 0.00 0.09 0.00 0.00 57.88 57.31 1sqm h LEU 282 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.87 1sqm h LEU 282 CO 0.00 0.00 2.41 0.18 0.09 0.00 0.00 178.44 181.12 1sqm n LEU 283 N -2.34 4.59 0.14 1.67 4.77 -0.84 -4.62 117.00 120.37 1sqm n LEU 283 Ca 0.05 -3.15 0.13 0.00 -0.03 0.00 0.00 56.01 53.00 1sqm n LEU 283 Cb 0.44 -1.25 0.29 0.00 -2.33 0.00 0.00 43.42 40.57 1sqm n LEU 283 CO 0.31 -0.14 0.79 0.00 -1.33 0.00 0.00 177.39 177.02 1sqm h ALA 284 N 7.60 0.95 0.00 -1.18 0.00 -1.88 -3.48 119.26 121.27 1sqm h ALA 284 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1sqm h ALA 284 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sqm h ALA 284 CO 1.91 0.00 0.00 0.41 0.00 0.00 0.00 179.25 181.57 1sqm n GLY 285 N 1.24 0.91 0.13 0.00 0.00 -1.26 -4.84 105.19 101.36 1sqm n GLY 285 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1sqm n GLY 285 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sqm n ASP 286 N 0.00 0.46 -0.24 1.61 5.68 -1.26 -4.99 116.55 117.81 1sqm n ASP 286 Ca 0.00 -1.53 -0.03 0.00 -0.50 0.00 0.00 54.79 52.73 1sqm n ASP 286 Cb 0.00 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 39.89 1sqm n ASP 286 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1sqm n LYS 287 N -0.17 -1.53 0.14 0.11 5.02 -1.26 -4.85 118.16 115.61 1sqm n LYS 287 Ca 0.01 0.53 0.11 0.00 -2.02 0.00 0.00 58.31 56.94 1sqm n LYS 287 Cb 0.52 -4.74 0.52 0.00 -0.02 0.00 0.00 35.03 31.31 1sqm n LYS 287 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1sqm n SER 288 N -0.79 0.57 -1.45 4.39 3.41 -1.26 -2.00 113.62 116.49 1sqm n SER 288 Ca -0.03 0.71 -0.01 0.00 -0.26 0.00 0.00 58.87 59.28 1sqm n SER 288 Cb 0.43 -0.80 0.27 0.00 -0.26 0.00 0.00 64.21 63.85 1sqm n SER 288 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sqm n LEU 289 N -2.20 4.94 0.00 1.04 4.77 -1.26 -4.65 117.00 119.64 1sqm n LEU 289 Ca 0.00 -3.28 0.07 0.00 -0.03 0.00 0.00 56.01 52.77 1sqm n LEU 289 Cb 0.11 -0.66 0.31 0.00 -2.33 0.00 0.00 43.42 40.85 1sqm n LEU 289 CO 0.13 0.87 0.72 -1.54 -1.33 0.00 0.00 177.39 176.24 1sqm n SER 290 N -0.50 0.00 0.28 -1.43 3.41 -0.85 -2.20 113.62 112.33 1sqm n SER 290 Ca 0.33 0.46 0.15 0.00 -0.26 0.00 0.00 58.87 59.55 1sqm n SER 290 Cb 1.15 -0.48 0.79 0.00 -0.26 0.00 0.00 64.21 65.41 1sqm n SER 290 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1sqm h ASN 291 N 0.00 0.00 0.48 4.04 -1.07 -1.86 0.44 115.58 117.62 1sqm h ASN 291 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 1sqm h ASN 291 Cb 0.23 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.47 1sqm h ASN 291 CO 0.00 0.08 -0.45 0.58 0.07 0.00 0.00 177.43 177.72 1sqm h VAL 292 N 0.00 1.28 -0.09 6.14 2.07 -1.84 0.40 116.25 124.21 1sqm h VAL 292 Ca -0.00 -1.55 -0.23 0.00 0.82 0.00 0.00 66.70 65.74 1sqm h VAL 292 Cb 0.33 1.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1sqm h VAL 292 CO 0.01 0.44 -0.83 0.40 0.02 0.00 0.00 177.57 177.61 1sqm h ILE 293 N 0.00 1.29 -0.23 4.57 1.08 -1.12 -2.19 117.51 120.92 1sqm h ILE 293 Ca -0.00 -2.05 -0.04 0.00 -0.39 0.00 0.00 64.86 62.37 1sqm h ILE 293 Cb 0.81 2.15 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1sqm h ILE 293 CO 0.06 0.64 -0.05 0.00 -0.69 0.00 0.00 178.15 178.10 1sqm h ALA 294 N 0.48 1.48 0.34 1.87 0.00 -0.97 0.03 119.26 122.50 1sqm h ALA 294 Ca -0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1sqm h ALA 294 Cb 1.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1sqm h ALA 294 CO 0.17 0.37 -0.16 1.25 0.00 0.00 0.00 179.25 180.87 1sqm h HIS 295 N 0.34 -0.42 -0.99 0.00 -0.00 -0.83 -1.38 115.15 111.87 1sqm h HIS 295 Ca 0.07 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1sqm h HIS 295 Cb 0.32 0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.82 1sqm h HIS 295 CO 0.01 -0.11 0.66 0.93 -0.00 0.00 0.00 177.93 179.42 1sqm h GLU 296 N -0.76 1.30 -0.34 5.26 4.39 -0.98 -1.94 114.58 121.50 1sqm h GLU 296 Ca -0.05 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1sqm h GLU 296 Cb 0.51 -0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1sqm h GLU 296 CO 0.08 0.86 0.16 0.82 -1.16 0.00 0.00 179.01 179.76 1sqm h ILE 297 N 1.34 0.96 -0.95 3.13 2.04 -0.98 -2.56 117.51 120.49 1sqm h ILE 297 Ca 0.36 -0.11 0.17 0.00 1.00 0.00 0.00 64.86 66.28 1sqm h ILE 297 Cb -0.15 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 1sqm h ILE 297 CO -0.08 0.06 0.60 0.28 0.00 0.00 0.00 178.15 179.01 1sqm h SER 298 N 0.33 0.68 -0.02 1.72 0.02 -0.47 -0.42 113.55 115.39 1sqm h SER 298 Ca 0.15 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1sqm h SER 298 Cb 0.07 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sqm h SER 298 CO -0.12 0.30 0.06 0.45 -1.14 0.00 0.00 176.83 176.39 1sqm h HIS 299 N 0.70 0.00 0.00 3.45 3.86 -1.10 -0.22 115.15 121.84 1sqm h HIS 299 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 1sqm h HIS 299 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1sqm h HIS 299 CO -0.00 0.00 0.00 0.43 0.86 0.00 0.00 177.93 179.22 1sqm n SER 300 N -3.34 0.17 0.03 2.45 7.64 -0.17 -0.74 113.62 119.66 1sqm n SER 300 Ca -0.02 0.58 -0.00 0.00 1.01 0.00 0.00 58.87 60.43 1sqm n SER 300 Cb 0.13 -0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1sqm n SER 300 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1sqm n TRP 301 N -1.73 0.00 -2.87 1.43 8.01 -0.16 -4.08 117.44 118.04 1sqm n TRP 301 Ca -0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.76 1sqm n TRP 301 Cb 0.03 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 1sqm n TRP 301 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1sqm s THR 302 N -1.74 4.43 0.00 -0.99 -4.23 -0.79 -2.05 115.64 110.28 1sqm s THR 302 Ca -0.01 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1sqm s THR 302 Cb 0.00 -4.73 0.00 0.00 1.34 0.00 0.00 72.50 69.11 1sqm s THR 302 CO 0.02 -1.49 0.00 0.61 -0.54 0.00 0.00 174.62 173.22 1sqm n GLY 303 N 5.45 3.36 0.08 3.99 0.00 0.19 -4.22 105.19 114.04 1sqm n GLY 303 Ca 0.06 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1sqm n GLY 303 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sqm h ASN 304 N 0.00 0.09 0.00 1.61 2.35 -1.05 -3.32 115.58 115.25 1sqm h ASN 304 Ca 0.00 -0.12 -0.26 0.00 -0.55 0.00 0.00 56.30 55.37 1sqm h ASN 304 Cb 0.00 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1sqm h ASN 304 CO 0.00 1.10 -1.66 0.18 -1.65 0.00 0.00 177.43 175.40 1sqm n LEU 305 N -3.26 1.91 -4.55 1.61 4.77 -0.99 -4.79 117.00 111.70 1sqm n LEU 305 Ca -0.10 0.40 -0.39 0.00 -0.03 0.00 0.00 56.01 55.89 1sqm n LEU 305 Cb 1.00 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1sqm n LEU 305 CO 0.47 0.21 -0.16 -0.69 -1.33 0.00 0.00 177.39 175.89 1sqm s VAL 306 N -2.51 5.22 0.11 4.08 1.01 -0.87 0.01 120.40 127.44 1sqm s VAL 306 Ca -0.31 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 61.76 1sqm s VAL 306 Cb 0.09 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1sqm s VAL 306 CO 0.47 0.15 -0.27 -0.89 0.00 0.00 0.00 175.10 174.57 1sqm s THR 307 N 1.73 2.22 0.14 3.92 2.01 -0.20 0.53 115.64 125.99 1sqm s THR 307 Ca 0.07 -1.65 -0.30 0.00 0.31 0.00 0.00 61.69 60.11 1sqm s THR 307 Cb -0.17 -1.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.33 1sqm s THR 307 CO 0.10 0.16 1.23 0.54 -0.69 0.00 0.00 174.62 175.96 1sqm s ASN 308 N -1.83 7.05 0.28 3.53 6.03 -1.26 -0.35 114.94 128.38 1sqm s ASN 308 Ca 0.13 2.19 -0.02 0.00 -1.03 0.00 0.00 52.86 54.13 1sqm s ASN 308 Cb -0.10 -2.60 0.38 0.00 -3.03 0.00 0.00 41.25 35.90 1sqm s ASN 308 CO 0.05 -0.44 1.86 0.50 -2.03 0.00 0.00 177.10 177.04 1sqm h LYS 309 N 5.88 0.96 -4.06 3.55 3.64 -1.50 -3.40 116.57 121.64 1sqm h LYS 309 Ca -0.43 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 58.67 1sqm h LYS 309 Cb 1.21 -0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.73 1sqm h LYS 309 CO 0.78 0.77 -0.40 0.95 -2.27 0.00 0.00 179.45 179.28 1sqm s THR 310 N -5.47 0.06 -1.21 1.00 -4.23 -1.26 -2.98 115.64 101.54 1sqm s THR 310 Ca -0.11 -1.58 0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1sqm s THR 310 Cb 0.16 -2.01 0.15 0.00 1.34 0.00 0.00 72.50 72.15 1sqm s THR 310 CO 0.80 -0.26 1.34 0.79 -0.54 0.00 0.00 174.62 176.75 1sqm n TRP 311 N -0.22 0.00 0.25 3.99 7.02 -1.26 -1.55 117.44 125.67 1sqm n TRP 311 Ca -0.05 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.55 1sqm n TRP 311 Cb 0.63 -0.39 0.61 0.00 -2.42 0.00 0.00 31.31 29.74 1sqm n TRP 311 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1sqm h ASP 312 N 0.00 0.00 -0.40 -0.99 5.19 -1.96 -3.00 116.42 115.25 1sqm h ASP 312 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1sqm h ASP 312 Cb 0.16 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 1sqm h ASP 312 CO 0.00 0.15 0.05 1.41 -3.12 0.00 0.00 179.24 177.73 1sqm n HIS 313 N -3.40 1.37 -0.22 4.55 8.25 -0.60 -2.78 115.22 122.38 1sqm n HIS 313 Ca -0.01 -1.12 0.25 0.00 -0.26 0.00 0.00 57.72 56.59 1sqm n HIS 313 Cb 0.33 -0.45 0.63 0.00 1.12 0.00 0.00 29.99 31.62 1sqm n HIS 313 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1sqm h PHE 314 N 1.87 0.26 -0.14 4.41 3.57 -1.65 -0.00 116.94 125.26 1sqm h PHE 314 Ca 0.11 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1sqm h PHE 314 Cb 1.72 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1sqm h PHE 314 CO 0.82 0.06 0.12 0.11 -2.23 0.00 0.00 178.31 177.18 1sqm h TRP 315 N 0.19 0.00 -0.76 0.41 5.08 -1.83 0.16 115.95 119.19 1sqm h TRP 315 Ca 0.47 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.44 1sqm h TRP 315 Cb 1.52 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 27.64 1sqm h TRP 315 CO -0.00 0.00 0.51 -0.07 -1.28 0.00 0.00 178.44 177.59 1sqm h LEU 316 N 0.00 0.88 0.08 0.11 3.38 -1.32 0.54 115.31 118.97 1sqm h LEU 316 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sqm h LEU 316 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sqm h LEU 316 CO -0.00 0.64 -0.04 0.78 0.09 0.00 0.00 178.44 179.91 1sqm h ASN 317 N 1.04 -0.09 0.15 -0.43 4.21 -0.86 -3.27 115.58 116.33 1sqm h ASN 317 Ca 0.28 -0.32 -0.22 0.00 1.21 0.00 0.00 56.30 57.25 1sqm h ASN 317 Cb -0.12 0.02 0.02 0.00 -1.12 0.00 0.00 38.32 37.13 1sqm h ASN 317 CO -0.06 0.28 -0.94 -0.33 -1.29 0.00 0.00 177.43 175.10 1sqm h GLU 318 N -0.47 0.38 -0.06 0.81 4.39 -1.16 -3.07 114.58 115.40 1sqm h GLU 318 Ca -0.01 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.09 1sqm h GLU 318 Cb 0.40 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1sqm h GLU 318 CO 0.02 1.27 0.04 0.78 -1.16 0.00 0.00 179.01 179.96 1sqm h GLY 319 N -0.21 0.08 1.54 -3.84 0.00 0.05 0.15 103.07 100.84 1sqm h GLY 319 Ca -0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1sqm h GLY 319 CO 0.18 0.03 0.02 0.45 0.00 0.00 0.00 176.54 177.21 1sqm h HIS 320 N 0.05 0.60 -0.30 5.60 3.86 -1.69 -1.47 115.15 121.80 1sqm h HIS 320 Ca 0.02 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.11 1sqm h HIS 320 Cb 0.02 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1sqm h HIS 320 CO -0.07 0.57 -0.04 1.15 0.86 0.00 0.00 177.93 180.41 1sqm h THR 321 N 0.55 1.27 -0.52 2.45 2.02 -1.34 -0.21 112.91 117.13 1sqm h THR 321 Ca 0.12 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.24 1sqm h THR 321 Cb 0.33 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1sqm h THR 321 CO 0.01 0.33 0.17 0.58 0.37 0.00 0.00 175.52 176.98 1sqm h VAL 322 N 0.34 1.20 -0.28 3.16 2.07 -0.76 0.25 116.25 122.24 1sqm h VAL 322 Ca 0.08 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1sqm h VAL 322 Cb 0.50 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1sqm h VAL 322 CO 0.02 0.26 0.11 0.22 0.02 0.00 0.00 177.57 178.20 1sqm h TYR 323 N 0.75 0.43 -0.49 1.57 3.20 -0.97 -0.33 116.97 121.12 1sqm h TYR 323 Ca 0.17 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1sqm h TYR 323 Cb 0.20 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1sqm h TYR 323 CO 0.01 0.43 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.79 1sqm h LEU 324 N 0.30 0.94 -0.26 2.82 3.38 -0.57 -2.84 115.31 119.08 1sqm h LEU 324 Ca 0.09 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.77 1sqm h LEU 324 Cb 0.19 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1sqm h LEU 324 CO -0.01 1.08 -0.16 -0.08 0.09 0.00 0.00 178.44 179.36 1sqm h GLU 325 N 0.79 -0.13 0.00 1.13 4.81 -0.25 -1.27 114.58 119.66 1sqm h GLU 325 Ca 0.13 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1sqm h GLU 325 Cb 0.66 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1sqm h GLU 325 CO 0.05 -0.09 -0.14 0.00 -0.73 0.00 0.00 179.01 178.10 1sqm h ARG 326 N -0.14 0.00 -0.03 1.92 3.08 -0.97 -1.79 114.38 116.45 1sqm h ARG 326 Ca 0.14 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.98 1sqm h ARG 326 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 1sqm h ARG 326 CO -0.34 0.14 -0.87 0.45 -1.07 0.00 0.00 179.97 178.27 1sqm h HIS 327 N 0.00 0.58 -0.11 3.04 3.86 -1.04 0.15 115.15 121.62 1sqm h HIS 327 Ca -0.00 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 1sqm h HIS 327 Cb 0.39 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1sqm h HIS 327 CO 0.00 1.10 0.03 0.82 0.86 0.00 0.00 177.93 180.74 1sqm h ILE 328 N 0.24 1.18 -0.12 2.45 2.04 -0.59 0.25 117.51 122.97 1sqm h ILE 328 Ca -0.06 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1sqm h ILE 328 Cb 1.49 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 1sqm h ILE 328 CO 0.15 0.17 -0.30 0.00 0.00 0.00 0.00 178.15 178.17 1sqm h GLY 330 N 1.04 1.04 0.87 0.00 0.00 -0.59 0.37 103.07 105.79 1sqm h GLY 330 Ca 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 1sqm h GLY 330 CO 0.05 0.88 0.04 3.21 0.00 0.00 0.00 176.54 180.72 1sqm h ARG 331 N 0.81 0.42 -0.41 4.80 2.47 0.08 0.82 114.38 123.36 1sqm h ARG 331 Ca 0.09 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1sqm h ARG 331 Cb 0.87 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 1sqm h ARG 331 CO 0.08 0.54 0.02 1.25 0.56 0.00 0.00 179.97 182.42 1sqm h LEU 332 N 0.23 0.70 -1.61 3.04 5.85 -0.84 -3.37 115.31 119.31 1sqm h LEU 332 Ca 0.08 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1sqm h LEU 332 Cb 0.33 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1sqm h LEU 332 CO 0.00 0.83 0.00 0.49 -0.34 0.00 0.00 178.44 179.42 1sqm n PHE 333 N -4.45 0.03 0.00 1.25 3.72 0.13 -5.09 117.46 113.06 1sqm n PHE 333 Ca -0.01 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1sqm n PHE 333 Cb 0.28 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1sqm n PHE 333 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqm n GLY 334 N 0.03 2.62 0.38 1.37 0.00 0.28 -4.62 105.19 105.25 1sqm n GLY 334 Ca 0.02 -1.59 0.20 0.00 0.00 0.00 0.00 46.02 44.65 1sqm n GLY 334 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sqm h GLU 335 N 0.00 0.00 -0.00 1.61 4.57 -1.93 -0.38 114.58 118.45 1sqm h GLU 335 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1sqm h GLU 335 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1sqm h GLU 335 CO 0.00 0.00 -0.33 0.87 -1.18 0.00 0.00 179.01 178.37 1sqm h LYS 336 N 0.00 0.00 -0.07 1.92 1.57 -1.92 -1.92 116.57 116.15 1sqm h LYS 336 Ca 0.24 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.84 1sqm h LYS 336 Cb 0.97 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.29 1sqm h LYS 336 CO -0.00 0.33 -0.62 0.35 -0.57 0.00 0.00 179.45 178.94 1sqm h PHE 337 N 0.00 0.76 -0.61 -1.35 3.57 -1.33 -2.22 116.94 115.77 1sqm h PHE 337 Ca -0.00 -0.36 0.05 0.00 3.53 0.00 0.00 57.97 61.18 1sqm h PHE 337 Cb 0.58 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1sqm h PHE 337 CO 0.00 1.17 0.34 -0.09 -2.23 0.00 0.00 178.31 177.49 1sqm h ARG 338 N 0.14 0.61 -0.64 1.11 2.43 -1.25 0.10 114.38 116.89 1sqm h ARG 338 Ca -0.06 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1sqm h ARG 338 Cb 1.28 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 1sqm h ARG 338 CO 0.13 0.41 0.19 0.45 -1.51 0.00 0.00 179.97 179.63 1sqm h HIS 339 N 0.63 1.01 -0.13 2.20 3.86 -1.33 0.38 115.15 121.77 1sqm h HIS 339 Ca 0.27 -0.09 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1sqm h HIS 339 Cb 0.16 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1sqm h HIS 339 CO -0.08 0.81 0.07 0.35 0.86 0.00 0.00 177.93 179.94 1sqm h PHE 340 N 0.94 0.18 -0.20 2.45 3.57 -0.68 0.44 116.94 123.64 1sqm h PHE 340 Ca 0.21 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 1sqm h PHE 340 Cb 0.28 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1sqm h PHE 340 CO 0.02 0.18 -0.46 -0.91 -2.23 0.00 0.00 178.31 174.91 1sqm h ASN 341 N 0.12 0.56 -0.43 0.41 -0.26 -0.79 0.11 115.58 115.29 1sqm h ASN 341 Ca 0.05 -0.27 -0.04 0.00 -0.56 0.00 0.00 56.30 55.48 1sqm h ASN 341 Cb 0.06 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1sqm h ASN 341 CO -0.01 0.94 0.09 0.00 -1.06 0.00 0.00 177.43 177.39 1sqm h ALA 342 N 1.08 0.56 -0.54 -0.83 0.00 0.05 -1.56 119.26 118.02 1sqm h ALA 342 Ca 0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1sqm h ALA 342 Cb 0.97 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sqm h ALA 342 CO 0.09 0.26 0.00 1.25 0.00 0.00 0.00 179.25 180.84 1sqm h LEU 343 N 0.56 0.90 -0.82 0.00 5.85 0.31 -2.70 115.31 119.41 1sqm h LEU 343 Ca 0.13 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1sqm h LEU 343 Cb 0.34 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1sqm h LEU 343 CO 0.00 0.96 0.41 1.23 -0.34 0.00 0.00 178.44 180.70 1sqm h GLY 344 N 1.00 1.25 0.71 3.75 0.00 -0.58 -2.21 103.07 106.98 1sqm h GLY 344 Ca 0.16 -0.61 0.07 0.00 0.00 0.00 0.00 47.33 46.95 1sqm h GLY 344 CO 0.02 0.58 0.63 -1.33 0.00 0.00 0.00 176.54 176.44 1sqm h GLY 345 N 1.15 1.50 0.92 4.60 0.00 -0.99 0.51 103.07 110.76 1sqm h GLY 345 Ca 0.28 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.19 1sqm h GLY 345 CO -0.04 0.31 0.65 -0.25 0.00 0.00 0.00 176.54 177.21 1sqm h TRP 346 N 1.12 1.23 -0.51 5.60 2.91 -1.10 -0.29 115.95 124.90 1sqm h TRP 346 Ca 0.43 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.45 1sqm h TRP 346 Cb 0.20 -0.41 -0.02 0.00 -0.51 0.00 0.00 29.16 28.41 1sqm h TRP 346 CO -0.01 0.73 0.20 0.78 -1.03 0.00 0.00 178.44 179.11 1sqm h GLY 347 N 1.29 0.79 1.52 2.65 0.00 -0.63 -0.48 103.07 108.21 1sqm h GLY 347 Ca 0.39 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1sqm h GLY 347 CO -0.11 0.38 -0.42 0.83 0.00 0.00 0.00 176.54 177.22 1sqm h GLU 348 N 0.73 0.53 -0.36 4.80 4.39 -0.18 -2.01 114.58 122.48 1sqm h GLU 348 Ca 0.18 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1sqm h GLU 348 Cb 0.16 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1sqm h GLU 348 CO -0.02 0.85 0.17 1.25 -1.16 0.00 0.00 179.01 180.11 1sqm h LEU 349 N 0.44 0.47 -0.86 1.33 5.85 -0.27 -0.63 115.31 121.64 1sqm h LEU 349 Ca 0.04 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1sqm h LEU 349 Cb 0.91 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 1sqm h LEU 349 CO 0.08 0.46 0.55 1.56 -0.34 0.00 0.00 178.44 180.75 1sqm h GLN 350 N 0.44 1.01 -0.18 1.25 4.20 -0.91 -0.40 115.11 120.52 1sqm h GLN 350 Ca 0.12 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1sqm h GLN 350 Cb 0.11 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1sqm h GLN 350 CO -0.02 0.67 0.09 -0.91 -0.67 0.00 0.00 178.83 178.00 1sqm h ASN 351 N 1.05 0.14 -0.37 1.46 4.21 -0.86 -0.11 115.58 121.10 1sqm h ASN 351 Ca 0.35 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.87 1sqm h ASN 351 Cb 0.05 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1sqm h ASN 351 CO -0.13 0.11 0.22 0.28 -1.29 0.00 0.00 177.43 176.62 1sqm h SER 352 N 0.20 0.44 -0.78 5.81 0.02 -0.50 0.13 113.55 118.87 1sqm h SER 352 Ca 0.07 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1sqm h SER 352 Cb 0.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1sqm h SER 352 CO -0.05 0.36 0.32 0.58 -1.14 0.00 0.00 176.83 176.90 1sqm h VAL 353 N 0.48 1.26 -0.51 2.27 2.07 -0.94 -0.51 116.25 120.36 1sqm h VAL 353 Ca 0.13 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 1sqm h VAL 353 Cb 0.00 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1sqm h VAL 353 CO -0.02 0.33 -0.08 0.50 0.02 0.00 0.00 177.57 178.31 1sqm h LYS 354 N 1.14 0.96 -0.06 1.57 3.64 -0.68 0.22 116.57 123.36 1sqm h LYS 354 Ca 0.26 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1sqm h LYS 354 Cb 0.21 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1sqm h LYS 354 CO -0.02 1.01 0.03 1.15 -2.27 0.00 0.00 179.45 179.35 1sqm h THR 355 N 0.82 1.12 -0.06 1.00 2.02 -0.58 -3.16 112.91 114.07 1sqm h THR 355 Ca 0.13 -0.36 -0.20 0.00 0.77 0.00 0.00 66.41 66.76 1sqm h THR 355 Cb 0.64 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1sqm h THR 355 CO 0.04 0.10 -0.79 -0.26 0.37 0.00 0.00 175.52 174.98 1sqm h PHE 356 N -0.04 0.57 0.00 3.16 0.04 -1.07 -3.50 116.94 116.11 1sqm h PHE 356 Ca 0.02 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1sqm h PHE 356 Cb 0.14 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1sqm h PHE 356 CO -0.03 1.05 0.00 0.41 -0.60 0.00 0.00 178.31 179.14 1sqm n GLY 357 N 0.68 2.92 0.01 -1.45 0.00 0.78 -4.62 105.19 103.51 1sqm n GLY 357 Ca -0.05 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.43 1sqm n GLY 357 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sqm n GLU 358 N 0.65 0.02 -0.02 1.61 0.28 -1.22 -2.39 120.64 119.57 1sqm n GLU 358 Ca 0.00 0.28 0.06 0.00 -0.16 0.00 0.00 57.16 57.33 1sqm n GLU 358 Cb 0.00 -1.53 0.06 0.00 1.43 0.00 0.00 31.44 31.39 1sqm n GLU 358 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1sqm n THR 359 N -1.57 0.08 -1.94 3.84 -2.24 -1.26 -1.61 114.28 109.59 1sqm n THR 359 Ca 0.03 -0.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1sqm n THR 359 Cb 0.17 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1sqm n THR 359 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1sqm s HIS 360 N -0.96 2.87 0.33 4.78 5.04 -1.00 -4.84 115.29 121.50 1sqm s HIS 360 Ca 0.14 1.09 0.06 0.00 -1.54 0.00 0.00 55.06 54.82 1sqm s HIS 360 Cb 0.10 -3.89 0.74 0.00 0.04 0.00 0.00 32.58 29.56 1sqm s HIS 360 CO 0.14 -2.76 1.85 -1.35 -2.34 0.00 0.00 174.74 170.28 1sqm h PRO 361 N 4.15 0.76 0.00 2.88 0.11 -1.95 -2.16 132.00 135.80 1sqm h PRO 361 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1sqm h PRO 361 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1sqm h PRO 361 CO 0.72 0.51 0.00 1.19 -0.21 0.00 0.00 178.00 180.21 1sqm n PHE 362 N -4.60 0.00 0.19 0.65 3.01 -1.26 -2.18 117.46 113.26 1sqm n PHE 362 Ca 0.19 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.75 1sqm n PHE 362 Cb 0.45 -0.46 0.27 0.00 -0.01 0.00 0.00 39.48 39.73 1sqm n PHE 362 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1sqm n THR 363 N -1.46 0.73 -3.03 4.37 -2.24 -0.81 -4.86 114.28 106.98 1sqm n THR 363 Ca 0.03 -0.77 -0.34 0.00 -2.27 0.00 0.00 64.05 60.70 1sqm n THR 363 Cb 0.13 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1sqm n THR 363 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sqm s LYS 364 N -1.27 4.20 0.02 -0.78 1.02 -0.93 -3.88 119.74 118.12 1sqm s LYS 364 Ca 0.39 0.89 -0.25 0.00 0.02 0.00 0.00 55.97 57.02 1sqm s LYS 364 Cb 0.21 -2.60 -0.18 0.00 -0.52 0.00 0.00 37.83 34.74 1sqm s LYS 364 CO 0.28 0.23 1.38 1.25 -0.92 0.00 0.00 175.35 177.57 1sqm h LEU 365 N 2.73 -0.13 -8.85 3.17 5.85 -1.74 -3.39 115.31 112.95 1sqm h LEU 365 Ca -0.48 -0.25 -0.65 0.00 0.84 0.00 0.00 57.88 57.34 1sqm h LEU 365 Cb 1.18 0.03 -0.17 0.00 0.37 0.00 0.00 40.66 42.07 1sqm h LEU 365 CO 0.65 0.19 -0.50 -0.69 -0.34 0.00 0.00 178.44 177.75 1sqm s VAL 366 N -4.91 5.30 0.36 1.05 1.01 -0.45 -4.60 120.40 118.16 1sqm s VAL 366 Ca -0.15 0.08 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1sqm s VAL 366 Cb 0.03 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1sqm s VAL 366 CO 0.63 0.17 0.31 0.68 0.00 0.00 0.00 175.10 176.89 1sqm s VAL 367 N 1.76 3.18 -0.42 2.92 -7.23 -1.12 -4.79 120.40 114.71 1sqm s VAL 367 Ca 0.07 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1sqm s VAL 367 Cb -0.16 -3.10 0.11 0.00 0.56 0.00 0.00 36.38 33.78 1sqm s VAL 367 CO 0.11 -0.11 0.22 -0.62 -0.31 0.00 0.00 175.10 174.39 1sqm s ASP 368 N -4.03 5.34 -0.03 4.85 2.15 -1.26 -4.53 116.67 119.16 1sqm s ASP 368 Ca 0.43 -1.96 0.05 0.00 0.43 0.00 0.00 52.55 51.51 1sqm s ASP 368 Cb -0.05 -1.86 0.20 0.00 -0.30 0.00 0.00 42.92 40.91 1sqm s ASP 368 CO 0.27 -0.56 1.00 0.18 -0.17 0.00 0.00 175.17 175.88 1sqm n LEU 369 N 4.66 1.68 -4.68 -1.34 4.77 -1.26 -4.84 117.00 116.00 1sqm n LEU 369 Ca -0.04 -0.85 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 1sqm n LEU 369 Cb 0.41 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1sqm n LEU 369 CO 0.35 0.31 1.53 0.41 -1.33 0.00 0.00 177.39 178.65 1sqm n THR 370 N 0.13 0.51 -1.65 -5.08 -1.04 -1.26 -1.24 114.28 104.65 1sqm n THR 370 Ca 0.07 -0.09 -0.19 0.00 -2.04 0.00 0.00 64.05 61.80 1sqm n THR 370 Cb 0.34 -2.20 -0.07 0.00 -1.82 0.00 0.00 70.33 66.58 1sqm n THR 370 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1sqm n ASP 371 N 6.30 -5.30 -4.15 8.00 8.00 -1.26 -4.98 116.55 123.16 1sqm n ASP 371 Ca 0.19 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.78 1sqm n ASP 371 Cb 0.39 -4.45 -0.17 0.00 -0.02 0.00 0.00 41.12 36.87 1sqm n ASP 371 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sqm s ILE 372 N -2.73 1.87 0.07 0.53 -1.09 -0.37 -5.09 121.20 114.40 1sqm s ILE 372 Ca 0.00 -0.88 -0.31 0.00 -2.23 0.00 0.00 60.65 57.23 1sqm s ILE 372 Cb 0.00 -1.66 -0.08 0.00 -1.58 0.00 0.00 42.46 39.14 1sqm s ILE 372 CO 0.00 0.52 1.59 -0.62 -1.23 0.00 0.00 174.94 175.19 1sqm s ASP 373 N 0.73 6.65 0.36 3.58 -1.08 -1.26 -4.88 116.67 120.78 1sqm s ASP 373 Ca -0.10 2.43 0.07 0.00 -0.52 0.00 0.00 52.55 54.43 1sqm s ASP 373 Cb -0.16 -2.57 0.78 0.00 -1.46 0.00 0.00 42.92 39.52 1sqm s ASP 373 CO 0.01 -0.84 1.92 -0.65 0.52 0.00 0.00 175.17 176.14 1sqm h PRO 374 N 7.98 0.70 -0.04 4.34 0.11 -1.98 -1.41 132.00 141.69 1sqm h PRO 374 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sqm h PRO 374 Cb 1.20 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1sqm h PRO 374 CO 0.92 0.46 0.03 -0.44 -0.21 0.00 0.00 178.00 178.76 1sqm h ASP 375 N 0.72 0.05 0.75 -2.05 3.32 -1.97 -1.08 116.42 116.15 1sqm h ASP 375 Ca 0.37 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.17 1sqm h ASP 375 Cb 0.46 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1sqm h ASP 375 CO -0.14 0.04 -1.10 0.58 -1.72 0.00 0.00 179.24 176.89 1sqm h VAL 376 N 0.06 1.57 0.00 -1.35 2.07 -1.65 -3.29 116.25 113.66 1sqm h VAL 376 Ca 0.02 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1sqm h VAL 376 Cb -0.00 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1sqm h VAL 376 CO -0.00 0.90 -0.30 0.00 0.02 0.00 0.00 177.57 178.19 1sqm h ALA 377 N 0.78 0.80 -2.48 1.67 0.00 -1.12 -3.47 119.26 115.45 1sqm h ALA 377 Ca -0.08 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 1sqm h ALA 377 Cb 1.83 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.71 1sqm h ALA 377 CO 0.17 0.00 0.68 0.98 0.00 0.00 0.00 179.25 181.07 1sqm n TYR 378 N -2.22 2.37 -2.85 0.00 9.36 -0.47 -4.96 117.16 118.38 1sqm n TYR 378 Ca 0.04 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1sqm n TYR 378 Cb 0.44 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 1sqm n TYR 378 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1sqm n SER 379 N 1.99 0.00 -0.28 2.98 3.41 -1.26 -5.03 113.62 115.43 1sqm n SER 379 Ca 0.10 -0.57 0.13 0.00 -0.26 0.00 0.00 58.87 58.27 1sqm n SER 379 Cb 0.33 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.64 1sqm n SER 379 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1sqm n SER 380 N -0.41 1.12 0.24 4.04 7.64 -1.26 -4.45 113.62 120.55 1sqm n SER 380 Ca 0.00 -0.97 -0.16 0.00 1.01 0.00 0.00 58.87 58.75 1sqm n SER 380 Cb 0.00 0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.27 1sqm n SER 380 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1sqm h VAL 381 N 1.36 0.21 -0.64 0.44 2.07 -1.94 0.19 116.25 117.95 1sqm h VAL 381 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1sqm h VAL 381 Cb 0.52 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1sqm h VAL 381 CO 0.00 0.00 0.42 1.55 0.02 0.00 0.00 177.57 179.56 1sqm h PRO 382 N -0.80 0.56 0.66 1.57 0.13 -1.88 0.52 132.00 132.76 1sqm h PRO 382 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1sqm h PRO 382 Cb 0.71 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.72 1sqm h PRO 382 CO -0.06 0.37 -0.32 1.88 -0.23 0.00 0.00 178.00 179.64 1sqm h TYR 383 N 0.57 -0.82 0.14 1.56 -1.99 -1.73 -2.78 116.97 111.92 1sqm h TYR 383 Ca 0.28 -0.02 -0.31 0.00 2.00 0.00 0.00 58.73 60.68 1sqm h TYR 383 Cb 0.36 0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1sqm h TYR 383 CO -0.00 -0.50 -1.50 0.93 -0.00 0.00 0.00 178.16 177.09 1sqm h GLU 384 N -1.21 0.29 -0.26 4.88 4.39 -0.42 -0.82 114.58 121.44 1sqm h GLU 384 Ca -0.09 -0.50 -0.15 0.00 0.34 0.00 0.00 59.36 58.97 1sqm h GLU 384 Cb 0.70 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1sqm h GLU 384 CO 0.15 1.18 -0.44 -0.22 -1.16 0.00 0.00 179.01 178.52 1sqm h LYS 385 N 0.08 0.66 -0.25 2.33 3.64 -0.12 0.23 116.57 123.13 1sqm h LYS 385 Ca -0.24 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 58.77 1sqm h LYS 385 Cb 2.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.86 1sqm h LYS 385 CO 0.18 0.96 0.10 0.78 -2.27 0.00 0.00 179.45 179.21 1sqm h GLY 386 N 0.98 0.41 0.99 5.01 0.00 -1.47 -1.43 103.07 107.56 1sqm h GLY 386 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1sqm h GLY 386 CO 0.09 0.21 0.32 -2.75 0.00 0.00 0.00 176.54 174.41 1sqm h PHE 387 N 0.26 0.70 -0.82 5.60 3.57 -0.92 -2.64 116.94 122.69 1sqm h PHE 387 Ca 0.08 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.67 1sqm h PHE 387 Cb 0.17 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 1sqm h PHE 387 CO -0.01 0.49 0.48 0.00 -2.23 0.00 0.00 178.31 177.04 1sqm h ALA 388 N 1.16 1.17 -0.30 2.41 0.00 -0.14 0.07 119.26 123.63 1sqm h ALA 388 Ca 0.19 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1sqm h ALA 388 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1sqm h ALA 388 CO -0.04 0.12 0.18 1.25 0.00 0.00 0.00 179.25 180.76 1sqm h LEU 389 N 0.81 0.30 -0.46 0.00 5.85 -0.92 0.10 115.31 120.99 1sqm h LEU 389 Ca 0.39 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.98 1sqm h LEU 389 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1sqm h LEU 389 CO -0.23 0.22 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.79 1sqm h LEU 390 N 0.37 1.00 -0.59 2.25 3.38 -1.12 0.17 115.31 120.76 1sqm h LEU 390 Ca 0.11 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1sqm h LEU 390 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1sqm h LEU 390 CO -0.05 1.18 0.11 0.15 0.09 0.00 0.00 178.44 179.92 1sqm h PHE 391 N 0.82 1.02 -0.73 1.13 3.57 -0.84 0.34 116.94 122.25 1sqm h PHE 391 Ca 0.10 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 1sqm h PHE 391 Cb 0.80 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1sqm h PHE 391 CO 0.05 0.88 0.29 -0.92 -2.23 0.00 0.00 178.31 176.39 1sqm h TYR 392 N 0.86 1.10 -0.28 0.41 3.20 -0.61 -1.84 116.97 119.83 1sqm h TYR 392 Ca 0.18 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1sqm h TYR 392 Cb 0.40 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1sqm h TYR 392 CO 0.03 0.85 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.99 1sqm h LEU 393 N 1.04 0.62 -0.65 2.82 3.38 -0.21 -2.40 115.31 119.92 1sqm h LEU 393 Ca 0.24 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1sqm h LEU 393 Cb 0.21 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1sqm h LEU 393 CO -0.02 0.91 0.37 -0.08 0.09 0.00 0.00 178.44 179.71 1sqm h GLU 394 N 0.51 0.67 0.00 1.13 4.81 0.12 0.14 114.58 121.96 1sqm h GLU 394 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1sqm h GLU 394 Cb 0.82 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1sqm h GLU 394 CO 0.07 0.44 0.00 1.96 -0.73 0.00 0.00 179.01 180.75 1sqm h GLN 395 N 0.69 0.00 0.14 1.92 4.20 -1.23 0.18 115.11 121.00 1sqm h GLN 395 Ca 0.28 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.69 1sqm h GLN 395 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1sqm h GLN 395 CO -0.16 0.00 -1.47 1.25 -0.67 0.00 0.00 178.83 177.78 1sqm h LEU 396 N 0.00 0.45 -1.13 1.46 5.85 -0.87 -3.35 115.31 117.72 1sqm h LEU 396 Ca 0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1sqm h LEU 396 Cb 0.94 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1sqm h LEU 396 CO 0.00 1.47 0.00 0.18 -0.34 0.00 0.00 178.44 179.75 1sqm n LEU 397 N -3.50 1.74 0.00 2.25 4.77 0.44 -4.95 117.00 117.75 1sqm n LEU 397 Ca -0.15 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1sqm n LEU 397 Cb 1.05 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 1sqm n LEU 397 CO 0.52 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1sqm n GLY 398 N 1.20 1.36 0.00 -0.72 0.00 -1.16 -4.91 105.19 100.96 1sqm n GLY 398 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1sqm n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqm n GLY 399 N -0.04 2.54 0.24 -0.02 0.00 0.61 -4.72 105.19 103.80 1sqm n GLY 399 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1sqm n GLY 399 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqm h PRO 400 N 0.00 0.46 -0.36 1.61 0.13 -2.00 -2.62 132.00 129.22 1sqm h PRO 400 Ca 0.00 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1sqm h PRO 400 Cb 0.00 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.01 1sqm h PRO 400 CO 0.00 0.30 0.10 0.93 -0.23 0.00 0.00 178.00 179.10 1sqm h GLU 401 N 0.47 0.52 -0.07 0.86 5.08 -1.96 0.00 114.58 119.48 1sqm h GLU 401 Ca 0.31 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1sqm h GLU 401 Cb 0.36 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.53 1sqm h GLU 401 CO -0.29 0.47 -0.41 0.82 -1.00 0.00 0.00 179.01 178.60 1sqm h ILE 402 N 0.51 1.41 -0.07 3.13 2.04 -1.80 -3.01 117.51 119.72 1sqm h ILE 402 Ca 0.12 -1.82 -0.09 0.00 1.00 0.00 0.00 64.86 64.08 1sqm h ILE 402 Cb 0.18 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1sqm h ILE 402 CO -0.01 0.53 -0.35 0.15 0.00 0.00 0.00 178.15 178.47 1sqm h PHE 403 N -0.07 0.15 -0.20 1.37 3.57 -1.24 -2.09 116.94 118.43 1sqm h PHE 403 Ca -0.03 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1sqm h PHE 403 Cb 1.08 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1sqm h PHE 403 CO 0.13 0.48 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.45 1sqm h LEU 404 N 0.12 0.32 -1.05 0.59 3.38 -1.03 -0.64 115.31 117.01 1sqm h LEU 404 Ca 0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1sqm h LEU 404 Cb 0.68 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1sqm h LEU 404 CO 0.05 0.51 0.06 1.23 0.09 0.00 0.00 178.44 180.38 1sqm h GLY 405 N 0.88 0.80 1.71 0.83 0.00 -1.24 -1.04 103.07 105.00 1sqm h GLY 405 Ca 0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 1sqm h GLY 405 CO 0.03 0.45 -0.57 -2.75 0.00 0.00 0.00 176.54 173.70 1sqm h PHE 406 N 0.71 0.39 -0.26 5.60 3.57 -1.13 -2.55 116.94 123.27 1sqm h PHE 406 Ca 0.15 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1sqm h PHE 406 Cb 0.35 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1sqm h PHE 406 CO 0.02 0.81 -0.01 1.25 -2.23 0.00 0.00 178.31 178.15 1sqm h LEU 407 N 0.23 0.45 -0.44 0.59 5.85 -0.58 0.16 115.31 121.57 1sqm h LEU 407 Ca -0.00 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 1sqm h LEU 407 Cb 1.08 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1sqm h LEU 407 CO 0.09 0.65 0.11 0.50 -0.34 0.00 0.00 178.44 179.46 1sqm h LYS 408 N 0.23 0.70 -0.29 1.25 3.64 -1.17 -1.23 116.57 119.70 1sqm h LYS 408 Ca 0.07 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1sqm h LYS 408 Cb 0.43 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1sqm h LYS 408 CO 0.01 0.70 -0.09 0.00 -2.27 0.00 0.00 179.45 177.80 1sqm h ALA 409 N 0.97 1.30 -0.18 5.00 0.00 -1.39 -0.44 119.26 124.54 1sqm h ALA 409 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sqm h ALA 409 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sqm h ALA 409 CO 0.00 0.47 0.05 -0.92 0.00 0.00 0.00 179.25 178.85 1sqm h TYR 410 N 0.45 0.29 -0.54 0.00 3.20 -0.58 0.55 116.97 120.33 1sqm h TYR 410 Ca 0.09 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1sqm h TYR 410 Cb 0.44 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1sqm h TYR 410 CO 0.01 0.38 0.31 0.28 -1.64 0.00 0.00 178.16 177.51 1sqm h VAL 411 N 0.11 1.17 0.05 1.81 2.07 -0.95 -1.13 116.25 119.39 1sqm h VAL 411 Ca 0.06 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1sqm h VAL 411 Cb 0.23 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1sqm h VAL 411 CO -0.00 0.18 -0.03 -0.33 0.02 0.00 0.00 177.57 177.41 1sqm h GLU 412 N 0.72 -0.07 -0.77 1.57 5.08 -0.75 -1.04 114.58 119.33 1sqm h GLU 412 Ca 0.19 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 1sqm h GLU 412 Cb 0.01 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1sqm h GLU 412 CO -0.03 0.02 0.44 -0.22 -1.00 0.00 0.00 179.01 178.22 1sqm h LYS 413 N -0.14 0.76 -0.34 2.33 1.63 0.30 -3.13 116.57 117.97 1sqm h LYS 413 Ca -0.01 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1sqm h LYS 413 Cb 0.12 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1sqm h LYS 413 CO 0.01 0.50 0.01 1.19 -3.45 0.00 0.00 179.45 177.71 1sqm n PHE 414 N -4.74 1.24 -1.70 1.91 3.72 -0.44 -5.01 117.46 112.44 1sqm n PHE 414 Ca 0.11 -0.88 -0.43 0.00 -0.05 0.00 0.00 57.45 56.20 1sqm n PHE 414 Cb 0.22 -0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 1sqm n PHE 414 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1sqm n SER 415 N -0.28 2.97 -1.35 4.37 7.64 -0.40 -1.37 113.62 125.20 1sqm n SER 415 Ca 0.24 1.17 -0.17 0.00 1.01 0.00 0.00 58.87 61.12 1sqm n SER 415 Cb 0.98 -1.48 -0.07 0.00 -1.01 0.00 0.00 64.21 62.63 1sqm n SER 415 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1sqm n TYR 416 N 1.34 -0.07 -4.62 1.43 4.02 0.10 -4.95 117.16 114.41 1sqm n TYR 416 Ca 0.08 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.69 1sqm n TYR 416 Cb 0.34 -2.95 -0.10 0.00 -0.02 0.00 0.00 39.34 36.61 1sqm n TYR 416 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1sqm s LYS 417 N -3.55 1.98 -0.14 -0.72 1.02 -0.47 -5.03 119.74 112.83 1sqm s LYS 417 Ca 0.00 -2.17 0.01 0.00 0.02 0.00 0.00 55.97 53.83 1sqm s LYS 417 Cb 0.00 -1.38 0.02 0.00 -0.52 0.00 0.00 37.83 35.95 1sqm s LYS 417 CO 0.00 -0.21 -0.15 -1.12 -0.92 0.00 0.00 175.35 172.95 1sqm s SER 418 N -3.71 2.64 0.26 2.83 0.01 -1.26 -1.04 113.70 113.43 1sqm s SER 418 Ca 0.26 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.09 1sqm s SER 418 Cb 0.07 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.07 1sqm s SER 418 CO 0.13 -0.02 -0.03 0.27 0.41 0.00 0.00 173.24 173.99 1sqm s ILE 419 N 1.27 1.36 0.48 1.44 -4.36 0.52 -4.62 121.20 117.30 1sqm s ILE 419 Ca 0.00 -2.08 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 1sqm s ILE 419 Cb -0.14 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.19 1sqm s ILE 419 CO -0.07 -0.32 0.44 0.42 0.24 0.00 0.00 174.94 175.65 1sqm s THR 420 N -3.20 2.24 0.30 8.37 -4.23 -1.26 -1.42 115.64 116.43 1sqm s THR 420 Ca 0.29 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.43 1sqm s THR 420 Cb 0.05 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.56 1sqm s THR 420 CO 0.10 0.00 1.95 0.74 -0.54 0.00 0.00 174.62 176.87 1sqm h THR 421 N 0.83 1.17 -0.44 3.99 2.02 -1.97 -1.75 112.91 116.75 1sqm h THR 421 Ca -0.38 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1sqm h THR 421 Cb 1.28 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1sqm h THR 421 CO 0.55 0.20 0.04 0.44 0.37 0.00 0.00 175.52 177.13 1sqm h ASP 422 N 1.11 0.66 -0.46 4.18 3.45 -1.98 0.06 116.42 123.43 1sqm h ASP 422 Ca 0.34 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.65 1sqm h ASP 422 Cb -0.02 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1sqm h ASP 422 CO -0.09 0.70 0.20 0.44 -1.57 0.00 0.00 179.24 178.92 1sqm h ASP 423 N 0.66 0.62 -0.06 6.45 3.32 -1.73 -0.16 116.42 125.54 1sqm h ASP 423 Ca 0.14 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1sqm h ASP 423 Cb 0.35 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1sqm h ASP 423 CO 0.01 0.60 0.03 -0.25 -1.72 0.00 0.00 179.24 177.91 1sqm h TRP 424 N 0.61 0.08 -0.59 4.55 7.01 -0.83 -2.30 115.95 124.47 1sqm h TRP 424 Ca 0.16 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 1sqm h TRP 424 Cb 0.16 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.17 1sqm h TRP 424 CO -0.00 0.10 0.24 -0.22 -2.79 0.00 0.00 178.44 175.77 1sqm h LYS 425 N 0.03 0.86 -0.38 2.65 3.64 -0.83 -0.82 116.57 121.73 1sqm h LYS 425 Ca 0.02 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1sqm h LYS 425 Cb 0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1sqm h LYS 425 CO -0.00 0.70 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.43 1sqm h ASP 426 N 0.85 0.66 -0.27 4.20 3.32 -0.90 -1.65 116.42 122.63 1sqm h ASP 426 Ca 0.20 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1sqm h ASP 426 Cb 0.16 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1sqm h ASP 426 CO -0.02 0.82 -0.12 0.15 -1.72 0.00 0.00 179.24 178.34 1sqm h PHE 427 N 0.49 0.75 -0.12 4.55 3.57 -1.15 0.40 116.94 125.42 1sqm h PHE 427 Ca 0.11 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1sqm h PHE 427 Cb 0.48 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1sqm h PHE 427 CO 0.04 0.77 0.08 1.25 -2.23 0.00 0.00 178.31 178.22 1sqm h LEU 428 N 0.62 0.15 -1.24 0.59 5.85 -0.82 0.26 115.31 120.71 1sqm h LEU 428 Ca 0.11 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1sqm h LEU 428 Cb 0.57 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1sqm h LEU 428 CO 0.04 0.13 0.04 1.88 -0.34 0.00 0.00 178.44 180.19 1sqm h TYR 429 N 0.14 0.57 -0.06 1.25 -1.99 -1.07 -0.31 116.97 115.51 1sqm h TYR 429 Ca 0.04 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1sqm h TYR 429 Cb 0.01 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 38.57 1sqm h TYR 429 CO -0.06 0.54 -0.03 1.03 -0.00 0.00 0.00 178.16 179.64 1sqm h SER 430 N 0.54 0.12 -0.38 3.88 0.87 -0.37 -1.37 113.55 116.84 1sqm h SER 430 Ca 0.12 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1sqm h SER 430 Cb 0.29 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1sqm h SER 430 CO 0.01 0.51 0.20 0.22 -0.53 0.00 0.00 176.83 177.24 1sqm h TYR 431 N -0.27 0.53 -1.42 2.24 3.20 -0.30 -2.96 116.97 118.00 1sqm h TYR 431 Ca 0.01 -0.02 -0.71 0.00 3.14 0.00 0.00 58.73 61.16 1sqm h TYR 431 Cb 0.47 -0.17 -0.29 0.00 1.54 0.00 0.00 36.73 38.28 1sqm h TYR 431 CO 0.07 0.42 0.83 1.19 -1.64 0.00 0.00 178.16 179.03 1sqm n PHE 432 N -4.74 3.12 -0.29 -3.82 3.72 -0.15 -4.70 117.46 110.61 1sqm n PHE 432 Ca -0.00 -2.71 -0.02 0.00 -0.05 0.00 0.00 57.45 54.67 1sqm n PHE 432 Cb 0.09 -1.25 0.10 0.00 -0.94 0.00 0.00 39.48 37.48 1sqm n PHE 432 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1sqm h LYS 433 N 2.44 0.95 -0.16 -1.08 2.10 -1.07 0.41 116.57 120.16 1sqm h LYS 433 Ca 0.57 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1sqm h LYS 433 Cb 0.52 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 1sqm h LYS 433 CO 1.47 0.63 0.00 -0.25 -2.00 0.00 0.00 179.45 179.30 1sqm n ASP 434 N -4.60 0.16 -1.13 7.07 8.00 -1.26 -2.22 116.55 122.56 1sqm n ASP 434 Ca 0.10 -1.17 0.01 0.00 0.71 0.00 0.00 54.79 54.44 1sqm n ASP 434 Cb 0.10 -0.08 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1sqm n ASP 434 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sqm n LYS 435 N -0.31 0.00 0.15 -1.24 5.02 0.11 -4.88 118.16 117.01 1sqm n LYS 435 Ca 0.00 -1.48 0.04 0.00 -2.02 0.00 0.00 58.31 54.84 1sqm n LYS 435 Cb 0.04 -0.03 0.45 0.00 -0.02 0.00 0.00 35.03 35.46 1sqm n LYS 435 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1sqm h VAL 436 N 6.55 1.14 -0.77 -0.18 -1.51 -1.17 -0.72 116.25 119.61 1sqm h VAL 436 Ca -0.22 -0.63 -0.05 0.00 -1.23 0.00 0.00 66.70 64.58 1sqm h VAL 436 Cb 1.65 1.18 -0.03 0.00 -2.13 0.00 0.00 31.29 31.95 1sqm h VAL 436 CO 0.01 0.19 0.30 0.44 -1.23 0.00 0.00 177.57 177.28 1sqm h ASP 437 N 0.16 1.06 -0.18 4.19 3.32 -1.90 0.66 116.42 123.74 1sqm h ASP 437 Ca 0.04 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1sqm h ASP 437 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1sqm h ASP 437 CO 0.02 0.94 -0.02 0.58 -1.72 0.00 0.00 179.24 179.04 1sqm h VAL 438 N 1.12 1.27 -0.49 -1.35 2.07 -1.67 -2.81 116.25 114.38 1sqm h VAL 438 Ca 0.25 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1sqm h VAL 438 Cb 0.22 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1sqm h VAL 438 CO -0.02 0.28 0.30 -0.07 0.02 0.00 0.00 177.57 178.08 1sqm h LEU 439 N 0.07 0.57 0.00 2.57 3.38 -0.67 0.18 115.31 121.42 1sqm h LEU 439 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sqm h LEU 439 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sqm h LEU 439 CO 0.01 0.43 0.00 0.59 0.09 0.00 0.00 178.44 179.56 1sqm n ASN 440 N -4.44 0.00 -0.52 -0.43 5.03 0.23 -2.29 115.26 112.83 1sqm n ASN 440 Ca 0.04 -0.79 0.12 0.00 0.87 0.00 0.00 54.58 54.82 1sqm n ASN 440 Cb 0.07 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 38.96 1sqm n ASN 440 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1sqm n GLN 441 N -0.90 1.36 -3.40 3.52 -0.06 0.05 -4.92 117.38 113.03 1sqm n GLN 441 Ca 0.13 -1.05 -0.36 0.00 -2.00 0.00 0.00 57.00 53.72 1sqm n GLN 441 Cb 0.06 -1.48 -0.06 0.00 -4.06 0.00 0.00 30.24 24.70 1sqm n GLN 441 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 1sqm s VAL 442 N -2.36 4.90 -1.36 1.69 -7.23 -0.97 -4.98 120.40 110.09 1sqm s VAL 442 Ca 0.23 0.82 -0.16 0.00 -1.81 0.00 0.00 61.98 61.06 1sqm s VAL 442 Cb 0.19 -3.74 0.06 0.00 0.56 0.00 0.00 36.38 33.45 1sqm s VAL 442 CO 0.49 0.34 1.94 -0.67 -0.31 0.00 0.00 175.10 176.89 1sqm n ASP 443 N 1.08 4.51 -0.20 4.85 -0.08 -1.26 -4.82 116.55 120.63 1sqm n ASP 443 Ca -0.08 -2.90 0.01 0.00 -1.51 0.00 0.00 54.79 50.31 1sqm n ASP 443 Cb 0.52 -1.70 0.10 0.00 2.34 0.00 0.00 41.12 42.38 1sqm n ASP 443 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1sqm h TRP 444 N 6.84 0.12 -0.81 -0.67 4.06 -1.93 -0.25 115.95 123.31 1sqm h TRP 444 Ca 0.49 0.04 0.01 0.00 2.06 0.00 0.00 58.89 61.50 1sqm h TRP 444 Cb 0.77 0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.92 1sqm h TRP 444 CO 1.42 -0.07 0.54 -0.97 -3.56 0.00 0.00 178.44 175.80 1sqm h ASN 445 N 0.21 0.92 0.01 -3.49 -0.73 -1.98 0.13 115.58 110.64 1sqm h ASN 445 Ca 0.31 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.46 1sqm h ASN 445 Cb 0.48 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1sqm h ASN 445 CO -0.43 0.65 -0.01 0.00 -0.37 0.00 0.00 177.43 177.27 1sqm h ALA 446 N 1.50 -0.02 -0.12 1.57 0.00 -1.67 -1.18 119.26 119.34 1sqm h ALA 446 Ca 0.30 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sqm h ALA 446 Cb -0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sqm h ALA 446 CO -0.07 -0.23 -0.02 -1.49 0.00 0.00 0.00 179.25 177.44 1sqm h TRP 447 N -0.59 -0.04 0.11 0.00 4.06 -0.69 -2.42 115.95 116.39 1sqm h TRP 447 Ca -0.00 0.01 -0.29 0.00 2.06 0.00 0.00 58.89 60.66 1sqm h TRP 447 Cb 0.56 0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 1sqm h TRP 447 CO 0.12 -0.04 -1.45 -0.07 -3.56 0.00 0.00 178.44 173.44 1sqm h LEU 448 N 0.01 0.37 -0.81 -4.49 3.38 -0.87 -3.38 115.31 109.52 1sqm h LEU 448 Ca 0.06 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1sqm h LEU 448 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sqm h LEU 448 CO -0.11 1.39 -0.00 -1.22 0.09 0.00 0.00 178.44 178.59 1sqm n TYR 449 N -3.45 0.00 -3.98 1.13 4.01 -0.46 -1.34 117.16 113.06 1sqm n TYR 449 Ca -0.14 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.27 1sqm n TYR 449 Cb 1.03 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 40.01 1sqm n TYR 449 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1sqm s SER 450 N -0.22 6.06 0.87 7.72 0.01 -0.91 -4.92 113.70 122.31 1sqm s SER 450 Ca 0.00 0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.37 1sqm s SER 450 Cb 0.00 -1.82 0.12 0.00 0.21 0.00 0.00 66.02 64.53 1sqm s SER 450 CO 0.00 0.25 1.18 -2.16 0.41 0.00 0.00 173.24 172.92 1sqm s PRO 451 N -1.99 1.47 0.00 12.44 0.04 -1.26 -4.44 135.00 141.26 1sqm s PRO 451 Ca 0.27 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1sqm s PRO 451 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1sqm s PRO 451 CO 0.19 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1sqm n GLY 452 N -2.98 -1.11 3.64 0.56 0.00 -0.63 -4.88 105.19 99.78 1sqm n GLY 452 Ca 0.09 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.13 1sqm n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sqm n LEU 453 N -1.06 4.02 -4.66 0.99 4.77 -1.26 -4.90 117.00 114.89 1sqm n LEU 453 Ca 0.00 0.72 -0.34 0.00 -0.03 0.00 0.00 56.01 56.37 1sqm n LEU 453 Cb 0.00 -1.43 0.12 0.00 -2.33 0.00 0.00 43.42 39.78 1sqm n LEU 453 CO 0.00 -1.82 0.66 -2.65 -1.33 0.00 0.00 177.39 172.25 1sqm n PRO 454 N -1.72 0.14 0.00 3.23 -0.02 -1.26 -4.86 135.00 130.51 1sqm n PRO 454 Ca 0.14 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 1sqm n PRO 454 Cb 0.49 -2.36 0.45 0.00 -0.02 0.00 0.00 33.50 32.06 1sqm n PRO 454 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sqm n PRO 455 N -3.02 0.39 -3.65 0.52 -0.04 -1.26 -4.68 135.00 123.25 1sqm n PRO 455 Ca 0.13 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1sqm n PRO 455 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1sqm n PRO 455 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1sqm s ILE 456 N -2.26 -0.00 -0.17 0.52 2.07 -1.26 -5.14 121.20 114.96 1sqm s ILE 456 Ca 0.20 0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.32 1sqm s ILE 456 Cb 0.11 -0.93 -0.05 0.00 0.13 0.00 0.00 42.46 41.72 1sqm s ILE 456 CO 0.21 0.00 0.24 -0.75 -1.91 0.00 0.00 174.94 172.74 1sqm s LYS 457 N 0.77 4.23 1.22 3.50 2.20 -1.26 -5.04 119.74 125.36 1sqm s LYS 457 Ca -0.03 0.00 -0.16 0.00 -0.36 0.00 0.00 55.97 55.42 1sqm s LYS 457 Cb -0.05 -3.42 0.30 0.00 -1.51 0.00 0.00 37.83 33.15 1sqm s LYS 457 CO -0.06 0.26 1.01 -2.14 -0.36 0.00 0.00 175.35 174.07 1sqm s PRO 458 N 0.42 -1.35 -0.10 4.03 0.02 -1.26 -4.99 135.00 131.77 1sqm s PRO 458 Ca 0.14 0.54 -0.18 0.00 0.02 0.00 0.00 61.00 61.52 1sqm s PRO 458 Cb -0.12 -1.53 -0.04 0.00 0.02 0.00 0.00 34.50 32.82 1sqm s PRO 458 CO 0.02 -3.93 0.47 -0.80 -0.33 0.00 0.00 177.00 172.43 1sqm s ASN 459 N -2.87 6.71 -0.08 2.53 0.01 -1.26 -5.08 114.94 114.90 1sqm s ASN 459 Ca 0.68 0.85 0.03 0.00 -0.71 0.00 0.00 52.86 53.71 1sqm s ASN 459 Cb -0.20 -2.29 0.01 0.00 0.41 0.00 0.00 41.25 39.18 1sqm s ASN 459 CO 0.62 0.05 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.78 1sqm s TYR 460 N 0.38 1.85 0.41 2.20 1.51 -1.26 -5.10 117.35 117.33 1sqm s TYR 460 Ca 0.26 -0.74 -0.27 0.00 -1.01 0.00 0.00 57.07 55.31 1sqm s TYR 460 Cb -0.15 -1.31 -0.10 0.00 -0.11 0.00 0.00 41.96 40.29 1sqm s TYR 460 CO 0.11 -0.35 1.43 0.34 -1.11 0.00 0.00 175.55 175.98 1sqm s ASP 461 N 0.62 6.18 0.00 2.29 2.15 -1.26 -4.90 116.67 121.74 1sqm s ASP 461 Ca -0.15 2.94 0.11 0.00 0.43 0.00 0.00 52.55 55.88 1sqm s ASP 461 Cb -0.16 -2.66 0.19 0.00 -0.30 0.00 0.00 42.92 39.98 1sqm s ASP 461 CO 0.05 -0.97 1.03 0.23 -0.17 0.00 0.00 175.17 175.34 1sqm n MET 462 N 0.18 1.58 -0.20 4.34 2.81 -1.26 -4.54 117.12 120.04 1sqm n MET 462 Ca 0.03 -1.56 -0.00 0.00 -1.81 0.00 0.00 57.70 54.35 1sqm n MET 462 Cb 0.41 -1.24 0.07 0.00 -0.71 0.00 0.00 33.22 31.75 1sqm n MET 462 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1sqm h THR 463 N 2.14 0.42 0.00 2.03 2.02 -1.91 -1.07 112.91 116.53 1sqm h THR 463 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1sqm h THR 463 Cb 0.59 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1sqm h THR 463 CO 0.00 0.00 -0.35 0.18 0.37 0.00 0.00 175.52 175.72 1sqm n LEU 464 N -5.38 0.53 0.07 2.58 4.77 -1.26 -3.90 117.00 114.40 1sqm n LEU 464 Ca 0.08 0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 56.18 1sqm n LEU 464 Cb 0.33 -0.29 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 1sqm n LEU 464 CO 0.07 -0.02 -0.30 0.74 -1.33 0.00 0.00 177.39 176.54 1sqm h THR 465 N 0.00 1.19 -0.64 -5.08 2.02 -1.60 -3.39 112.91 105.40 1sqm h THR 465 Ca 0.00 -2.82 0.13 0.00 0.77 0.00 0.00 66.41 64.48 1sqm h THR 465 Cb 0.63 2.77 -0.12 0.00 -1.74 0.00 0.00 68.15 69.69 1sqm h THR 465 CO 0.00 0.82 -0.20 0.78 0.37 0.00 0.00 175.52 177.29 1sqm h ASN 466 N 0.07 -0.73 -0.10 4.18 -0.26 -1.36 0.17 115.58 117.54 1sqm h ASN 466 Ca -0.23 0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.71 1sqm h ASN 466 Cb 2.01 0.45 -0.01 0.00 -1.06 0.00 0.00 38.32 39.71 1sqm h ASN 466 CO 0.16 -0.24 0.05 0.00 -1.06 0.00 0.00 177.43 176.34 1sqm h ALA 467 N 1.52 1.84 -0.05 -0.83 0.00 -1.81 -0.05 119.26 119.88 1sqm h ALA 467 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1sqm h ALA 467 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sqm h ALA 467 CO -0.68 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 178.68 1sqm h ILE 469 N -0.27 1.23 -0.62 0.00 2.04 -0.98 -0.16 117.51 118.74 1sqm h ILE 469 Ca 0.01 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1sqm h ILE 469 Cb 0.43 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1sqm h ILE 469 CO 0.01 0.26 0.18 0.00 0.00 0.00 0.00 178.15 178.59 1sqm h ALA 470 N 1.17 0.82 -0.35 1.87 0.00 -0.90 0.28 119.26 122.16 1sqm h ALA 470 Ca 0.24 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1sqm h ALA 470 Cb 0.09 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1sqm h ALA 470 CO -0.03 0.51 -0.46 1.25 0.00 0.00 0.00 179.25 180.52 1sqm h LEU 471 N 0.90 0.99 -0.27 0.00 5.85 -1.07 -1.42 115.31 120.30 1sqm h LEU 471 Ca 0.20 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1sqm h LEU 471 Cb 0.32 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1sqm h LEU 471 CO -0.00 1.29 0.15 -1.28 -0.34 0.00 0.00 178.44 178.26 1sqm h SER 472 N 0.73 0.24 -0.83 1.25 0.87 -0.64 -2.37 113.55 112.80 1sqm h SER 472 Ca 0.04 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1sqm h SER 472 Cb 1.06 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.94 1sqm h SER 472 CO 0.11 0.18 0.48 1.56 -0.53 0.00 0.00 176.83 178.63 1sqm h GLN 473 N 0.31 1.15 -0.41 2.24 1.08 -0.34 -1.42 115.11 117.71 1sqm h GLN 473 Ca 0.11 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1sqm h GLN 473 Cb 0.01 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1sqm h GLN 473 CO -0.06 0.82 0.22 0.00 -0.95 0.00 0.00 178.83 178.86 1sqm h ARG 474 N 1.16 0.44 -0.40 1.46 3.08 -0.82 -0.89 114.38 118.42 1sqm h ARG 474 Ca 0.30 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 1sqm h ARG 474 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1sqm h ARG 474 CO -0.05 0.29 -0.03 -1.49 -1.07 0.00 0.00 179.97 177.61 1sqm h TRP 475 N 0.45 0.80 -0.31 3.04 4.06 -1.09 -0.40 115.95 122.50 1sqm h TRP 475 Ca 0.17 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 1sqm h TRP 475 Cb 0.05 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 1sqm h TRP 475 CO -0.09 0.82 0.06 0.82 -3.56 0.00 0.00 178.44 176.50 1sqm h ILE 476 N 0.54 1.22 0.00 1.49 2.04 -1.10 -3.01 117.51 118.71 1sqm h ILE 476 Ca 0.11 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1sqm h ILE 476 Cb 0.53 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1sqm h ILE 476 CO 0.03 0.25 -0.04 0.35 0.00 0.00 0.00 178.15 178.74 1sqm n THR 477 N -4.64 0.21 -1.85 -0.27 -2.24 -0.35 -4.90 114.28 100.23 1sqm n THR 477 Ca -0.02 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1sqm n THR 477 Cb 0.20 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 1sqm n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqm s ALA 478 N -3.04 3.63 0.48 6.98 0.00 -0.16 -5.04 121.76 124.61 1sqm s ALA 478 Ca 0.13 1.51 0.08 0.00 0.00 0.00 0.00 51.96 53.68 1sqm s ALA 478 Cb 0.17 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1sqm s ALA 478 CO 0.56 -0.95 0.49 0.15 0.00 0.00 0.00 175.76 176.01 1sqm s LYS 479 N -1.31 2.45 0.40 0.00 -0.14 -1.26 -4.96 119.74 114.93 1sqm s LYS 479 Ca 0.57 -1.64 0.15 0.00 -1.36 0.00 0.00 55.97 53.68 1sqm s LYS 479 Cb -0.46 -2.40 1.01 0.00 -1.68 0.00 0.00 37.83 34.30 1sqm s LYS 479 CO 0.55 -0.44 1.86 1.49 -0.76 0.00 0.00 175.35 178.05 1sqm h GLU 480 N 0.75 0.47 -0.02 1.68 4.81 -2.01 0.89 114.58 121.14 1sqm h GLU 480 Ca -0.38 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1sqm h GLU 480 Cb 1.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1sqm h GLU 480 CO 0.53 0.31 0.00 -0.40 -0.73 0.00 0.00 179.01 178.72 1sqm n ASP 481 N -4.53 0.16 -0.00 1.04 3.85 -1.26 -2.76 116.55 113.05 1sqm n ASP 481 Ca 0.18 -1.74 0.06 0.00 -0.71 0.00 0.00 54.79 52.58 1sqm n ASP 481 Cb 0.62 -0.02 -0.07 0.00 -1.35 0.00 0.00 41.12 40.30 1sqm n ASP 481 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1sqm n ASP 482 N -0.54 0.81 0.28 -1.12 8.00 0.30 -4.57 116.55 119.70 1sqm n ASP 482 Ca 0.07 -0.67 0.13 0.00 0.71 0.00 0.00 54.79 55.03 1sqm n ASP 482 Cb 0.05 1.09 0.79 0.00 -0.02 0.00 0.00 41.12 43.04 1sqm n ASP 482 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1sqm h LEU 483 N 0.00 0.00 -1.25 0.64 3.38 -1.48 -2.33 115.31 114.27 1sqm h LEU 483 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sqm h LEU 483 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sqm h LEU 483 CO 0.00 0.05 -0.07 -1.13 0.09 0.00 0.00 178.44 177.38 1sqm h ASN 484 N 0.00 0.00 0.68 -0.43 -0.73 -1.81 -3.02 115.58 110.27 1sqm h ASN 484 Ca -0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 1sqm h ASN 484 Cb 0.13 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1sqm h ASN 484 CO 0.01 0.07 -0.30 0.28 -0.37 0.00 0.00 177.43 177.12 1sqm h SER 485 N 0.00 0.00 -3.86 1.15 0.02 -1.74 -3.45 113.55 105.67 1sqm h SER 485 Ca -0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1sqm h SER 485 Cb 0.62 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.20 1sqm h SER 485 CO 0.01 0.30 0.55 -0.36 -1.14 0.00 0.00 176.83 176.18 1sqm s PHE 486 N -3.83 3.27 0.08 3.45 0.08 -1.14 -5.03 117.98 114.85 1sqm s PHE 486 Ca -0.01 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.42 1sqm s PHE 486 Cb 0.12 -3.47 0.04 0.00 -0.57 0.00 0.00 43.02 39.14 1sqm s PHE 486 CO 0.66 -1.23 0.42 1.21 -0.10 0.00 0.00 175.22 176.19 1sqm s ASN 487 N -0.77 -0.28 0.62 1.36 3.84 -1.26 -4.96 114.94 113.49 1sqm s ASN 487 Ca 0.49 -0.12 0.27 0.00 0.21 0.00 0.00 52.86 53.71 1sqm s ASN 487 Cb -0.35 0.45 1.37 0.00 -0.55 0.00 0.00 41.25 42.17 1sqm s ASN 487 CO 0.45 -0.75 1.78 0.00 -2.79 0.00 0.00 177.10 175.79 1sqm h ALA 488 N 2.70 1.94 0.00 1.71 0.00 -1.96 0.49 119.26 124.13 1sqm h ALA 488 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sqm h ALA 488 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1sqm h ALA 488 CO 0.45 -0.69 0.00 0.25 0.00 0.00 0.00 179.25 179.25 1sqm n THR 489 N -3.29 0.41 0.21 0.00 -2.24 -1.26 -2.59 114.28 105.53 1sqm n THR 489 Ca 0.05 0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 1sqm n THR 489 Cb 0.67 -0.71 0.52 0.00 -2.10 0.00 0.00 70.33 68.71 1sqm n THR 489 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sqm h ASP 490 N 0.00 0.05 0.14 3.42 3.32 -0.42 -2.44 116.42 120.50 1sqm h ASP 490 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1sqm h ASP 490 Cb 0.39 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1sqm h ASP 490 CO 0.00 0.17 -0.20 0.18 -1.72 0.00 0.00 179.24 177.67 1sqm n LEU 491 N -4.38 1.30 -0.27 1.55 4.77 -1.07 -4.57 117.00 114.33 1sqm n LEU 491 Ca -0.02 -0.39 0.02 0.00 -0.03 0.00 0.00 56.01 55.59 1sqm n LEU 491 Cb 0.20 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1sqm n LEU 491 CO 0.36 0.23 0.71 0.50 -1.33 0.00 0.00 177.39 177.86 1sqm h LYS 492 N 1.73 0.00 -0.64 3.23 3.64 -1.54 -1.73 116.57 121.26 1sqm h LYS 492 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sqm h LYS 492 Cb 0.54 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1sqm h LYS 492 CO 0.00 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.93 1sqm n ASP 493 N -5.50 4.96 -4.84 4.20 8.00 -1.26 -4.94 116.55 117.17 1sqm n ASP 493 Ca 0.11 -2.56 -0.36 0.00 0.71 0.00 0.00 54.79 52.68 1sqm n ASP 493 Cb 0.39 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1sqm n ASP 493 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sqm s LEU 494 N -2.04 4.33 0.76 0.64 1.43 -0.65 -5.10 118.68 118.04 1sqm s LEU 494 Ca 0.51 0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 53.92 1sqm s LEU 494 Cb 0.35 -2.07 0.07 0.00 0.03 0.00 0.00 46.19 44.56 1sqm s LEU 494 CO 0.22 0.35 1.10 -0.94 0.23 0.00 0.00 176.35 177.32 1sqm s SER 495 N -0.69 4.73 0.41 2.29 1.04 -1.26 -4.85 113.70 115.38 1sqm s SER 495 Ca 0.13 0.69 0.09 0.00 0.48 0.00 0.00 55.95 57.34 1sqm s SER 495 Cb -0.12 -1.28 0.86 0.00 0.10 0.00 0.00 66.02 65.59 1sqm s SER 495 CO 0.03 -1.72 2.01 0.77 0.98 0.00 0.00 173.24 175.30 1sqm h SER 496 N -0.83 0.34 -0.25 7.02 4.64 -1.99 -0.63 113.55 121.86 1sqm h SER 496 Ca -0.45 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 1sqm h SER 496 Cb 1.32 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1sqm h SER 496 CO 0.64 0.33 -0.29 0.45 -0.87 0.00 0.00 176.83 177.09 1sqm h HIS 497 N 0.38 0.88 -0.10 4.77 3.86 -1.93 -0.43 115.15 122.58 1sqm h HIS 497 Ca 0.09 -0.22 -0.13 0.00 -1.16 0.00 0.00 60.37 58.95 1sqm h HIS 497 Cb 0.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1sqm h HIS 497 CO 0.00 0.96 -0.53 1.96 0.86 0.00 0.00 177.93 181.19 1sqm h GLN 498 N 0.65 0.28 -0.07 2.45 4.20 -1.63 -0.53 115.11 120.46 1sqm h GLN 498 Ca 0.08 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1sqm h GLN 498 Cb 0.82 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1sqm h GLN 498 CO 0.07 0.74 0.04 1.25 -0.67 0.00 0.00 178.83 180.26 1sqm h LEU 499 N 0.22 0.10 -0.63 1.46 5.85 -0.98 0.42 115.31 121.75 1sqm h LEU 499 Ca 0.01 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1sqm h LEU 499 Cb 1.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 1sqm h LEU 499 CO 0.08 0.19 0.39 -1.13 -0.34 0.00 0.00 178.44 177.63 1sqm h ASN 500 N -0.00 0.66 -0.45 1.25 -1.24 -0.83 -1.40 115.58 113.57 1sqm h ASN 500 Ca 0.03 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.95 1sqm h ASN 500 Cb 0.11 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 1sqm h ASN 500 CO -0.00 0.46 -0.02 -0.08 -1.29 0.00 0.00 177.43 176.50 1sqm h GLU 501 N 0.78 0.87 -0.51 6.67 4.57 -0.62 -0.81 114.58 125.53 1sqm h GLU 501 Ca 0.25 -0.25 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1sqm h GLU 501 Cb -0.01 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 1sqm h GLU 501 CO -0.09 0.87 0.22 0.35 -1.18 0.00 0.00 179.01 179.19 1sqm h PHE 502 N 0.80 0.40 -0.58 0.92 3.57 0.56 0.28 116.94 122.89 1sqm h PHE 502 Ca 0.15 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1sqm h PHE 502 Cb 0.50 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1sqm h PHE 502 CO 0.03 0.17 0.06 -0.07 -2.23 0.00 0.00 178.31 176.27 1sqm h LEU 503 N 0.43 0.95 -0.79 0.59 3.38 -0.85 -2.48 115.31 116.55 1sqm h LEU 503 Ca 0.24 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1sqm h LEU 503 Cb 0.20 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1sqm h LEU 503 CO -0.20 0.99 0.39 0.00 0.09 0.00 0.00 178.44 179.71 1sqm h ALA 504 N 1.00 1.01 -0.75 1.53 0.00 -0.25 0.42 119.26 122.23 1sqm h ALA 504 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1sqm h ALA 504 Cb 0.46 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1sqm h ALA 504 CO 0.02 0.57 0.30 1.96 0.00 0.00 0.00 179.25 182.10 1sqm h GLN 505 N 1.11 1.12 0.06 0.00 1.08 -0.90 -2.51 115.11 115.07 1sqm h GLN 505 Ca 0.27 -0.19 -0.25 0.00 -1.45 0.00 0.00 58.65 57.03 1sqm h GLN 505 Cb 0.10 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1sqm h GLN 505 CO -0.04 0.90 -1.08 1.15 -0.95 0.00 0.00 178.83 178.81 1sqm h THR 506 N 1.09 1.43 -0.24 -0.54 2.02 -0.89 -3.20 112.91 112.57 1sqm h THR 506 Ca 0.25 -2.67 -0.03 0.00 0.77 0.00 0.00 66.41 64.73 1sqm h THR 506 Cb 0.20 2.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1sqm h THR 506 CO -0.02 0.79 0.00 0.25 0.37 0.00 0.00 175.52 176.91 1sqm h LEU 507 N 0.17 0.33 -0.55 2.58 5.85 -0.02 -2.08 115.31 121.59 1sqm h LEU 507 Ca -0.11 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1sqm h LEU 507 Cb 1.75 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.70 1sqm h LEU 507 CO 0.19 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 1sqm n GLN 508 N -4.34 0.09 -0.11 1.25 6.02 -0.96 -1.58 117.38 117.75 1sqm n GLN 508 Ca 0.00 0.45 0.03 0.00 -0.01 0.00 0.00 57.00 57.48 1sqm n GLN 508 Cb 0.20 -1.72 0.09 0.00 1.02 0.00 0.00 30.24 29.83 1sqm n GLN 508 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1sqm n ARG 509 N -1.90 2.85 -1.89 -1.09 3.00 -0.80 -5.04 116.66 111.79 1sqm n ARG 509 Ca 0.01 -1.87 -0.37 0.00 -0.01 0.00 0.00 57.85 55.61 1sqm n ARG 509 Cb 0.12 -1.19 0.04 0.00 0.00 0.00 0.00 32.46 31.43 1sqm n ARG 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1sqm s ALA 510 N -1.20 2.64 0.52 7.54 0.00 -0.62 -4.42 121.76 126.22 1sqm s ALA 510 Ca 0.14 1.17 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 1sqm s ALA 510 Cb 0.09 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1sqm s ALA 510 CO 0.07 -1.29 0.86 -1.25 0.00 0.00 0.00 175.76 174.16 1sqm s PRO 511 N -3.13 3.57 0.29 0.00 0.04 -1.26 -5.06 135.00 129.45 1sqm s PRO 511 Ca 0.75 0.38 0.08 0.00 0.04 0.00 0.00 61.00 62.25 1sqm s PRO 511 Cb -0.35 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1sqm s PRO 511 CO 0.40 -0.32 0.16 -0.51 0.04 0.00 0.00 177.00 176.77 1sqm s LEU 512 N -4.86 3.50 0.41 -3.56 1.02 -1.26 -5.02 118.68 108.90 1sqm s LEU 512 Ca 0.50 -0.51 -0.26 0.00 0.02 0.00 0.00 54.13 53.88 1sqm s LEU 512 Cb -0.10 -2.03 -0.10 0.00 0.02 0.00 0.00 46.19 43.97 1sqm s LEU 512 CO 0.47 -0.15 1.21 -2.65 0.02 0.00 0.00 176.35 175.25 1sqm n PRO 513 N -1.15 1.81 -0.09 1.29 -0.02 -1.26 -4.79 135.00 130.79 1sqm n PRO 513 Ca -0.05 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1sqm n PRO 513 Cb 0.59 -2.28 0.45 0.00 -0.02 0.00 0.00 33.50 32.24 1sqm n PRO 513 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sqm h LEU 514 N 2.02 0.46 -1.02 2.45 5.85 -1.97 -0.83 115.31 122.28 1sqm h LEU 514 Ca -0.47 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1sqm h LEU 514 Cb 1.30 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1sqm h LEU 514 CO 0.60 0.29 -0.14 1.23 -0.34 0.00 0.00 178.44 180.08 1sqm h GLY 515 N 0.52 0.59 0.91 3.75 0.00 -1.95 -1.93 103.07 104.96 1sqm h GLY 515 Ca 0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1sqm h GLY 515 CO -0.08 0.39 0.09 0.45 0.00 0.00 0.00 176.54 177.40 1sqm h HIS 516 N 0.50 0.56 -0.34 5.60 3.86 -1.50 -1.85 115.15 121.98 1sqm h HIS 516 Ca 0.09 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1sqm h HIS 516 Cb 0.54 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1sqm h HIS 516 CO 0.02 0.56 0.21 0.82 0.86 0.00 0.00 177.93 180.40 1sqm h ILE 517 N 0.39 1.12 -0.58 2.45 1.08 -1.29 -0.99 117.51 119.69 1sqm h ILE 517 Ca 0.11 -0.27 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 1sqm h ILE 517 Cb 0.28 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 1sqm h ILE 517 CO -0.00 0.12 0.34 0.11 -0.69 0.00 0.00 178.15 178.03 1sqm h LYS 518 N 0.44 0.65 -0.48 2.37 1.57 -1.29 -1.73 116.57 118.10 1sqm h LYS 518 Ca 0.12 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1sqm h LYS 518 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1sqm h LYS 518 CO -0.02 0.43 0.29 -0.09 -0.57 0.00 0.00 179.45 179.49 1sqm h ARG 519 N 0.67 0.57 -0.94 3.15 9.65 -1.04 -1.18 114.38 125.25 1sqm h ARG 519 Ca 0.24 -0.03 0.11 0.00 -1.10 0.00 0.00 59.98 59.20 1sqm h ARG 519 Cb 0.06 -0.13 -0.08 0.00 -1.39 0.00 0.00 29.97 28.43 1sqm h ARG 519 CO -0.12 0.38 0.58 1.98 2.80 0.00 0.00 179.97 185.58 1sqm h MET 520 N 0.58 0.90 -0.39 0.20 4.05 -0.44 0.61 114.93 120.44 1sqm h MET 520 Ca 0.19 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.45 1sqm h MET 520 Cb 0.00 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.59 1sqm h MET 520 CO -0.08 0.60 -0.19 0.37 0.23 0.00 0.00 176.91 177.84 1sqm h GLN 521 N 0.93 0.82 -0.43 0.39 5.75 -0.77 0.57 115.11 122.37 1sqm h GLN 521 Ca 0.46 -0.36 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1sqm h GLN 521 Cb 0.43 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 1sqm h GLN 521 CO -0.26 0.99 0.17 1.49 -2.65 0.00 0.00 178.83 178.58 1sqm h GLU 522 N 0.63 0.34 0.02 1.69 4.81 0.12 0.11 114.58 122.30 1sqm h GLU 522 Ca 0.09 -0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.97 1sqm h GLU 522 Cb 0.74 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 1sqm h GLU 522 CO 0.06 0.23 -1.97 1.33 -0.73 0.00 0.00 179.01 177.92 1sqm n VAL 523 N -4.98 1.58 0.78 0.32 0.24 0.04 -4.48 118.33 111.83 1sqm n VAL 523 Ca 0.03 -0.77 0.08 0.00 -2.04 0.00 0.00 64.34 61.64 1sqm n VAL 523 Cb 0.15 -1.04 -0.10 0.00 -1.47 0.00 0.00 33.84 31.37 1sqm n VAL 523 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1sqm n TYR 524 N -3.06 0.00 -4.10 6.34 4.01 0.19 -3.72 117.16 116.82 1sqm n TYR 524 Ca -0.25 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.18 1sqm n TYR 524 Cb 1.07 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 40.05 1sqm n TYR 524 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1sqm n ASN 525 N -1.45 -1.83 0.31 7.72 4.05 0.38 -4.84 115.26 119.60 1sqm n ASN 525 Ca 0.03 -1.02 0.19 0.00 0.45 0.00 0.00 54.58 54.23 1sqm n ASN 525 Cb 0.28 -2.86 1.06 0.00 1.23 0.00 0.00 39.78 39.49 1sqm n ASN 525 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 1sqm h PHE 526 N -1.68 0.00 0.00 1.20 0.04 -1.80 -0.68 116.94 114.02 1sqm h PHE 526 Ca -0.61 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.15 1sqm h PHE 526 Cb 1.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.53 1sqm h PHE 526 CO 0.56 0.00 -0.02 -0.91 -0.60 0.00 0.00 178.31 177.34 1sqm h ASN 527 N 0.00 0.00 0.74 2.17 -0.26 -1.89 -1.89 115.58 114.44 1sqm h ASN 527 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1sqm h ASN 527 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1sqm h ASN 527 CO -0.00 0.02 -0.10 0.00 -1.06 0.00 0.00 177.43 176.29 1sqm n ALA 528 N -2.26 2.62 -2.67 -0.83 0.00 -0.26 -4.86 120.51 112.26 1sqm n ALA 528 Ca -0.03 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.85 1sqm n ALA 528 Cb 0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.12 1sqm n ALA 528 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sqm s ILE 529 N -2.84 5.04 -1.68 0.00 1.01 -0.71 -4.94 121.20 117.08 1sqm s ILE 529 Ca 0.19 1.33 0.21 0.00 0.00 0.00 0.00 60.65 62.37 1sqm s ILE 529 Cb 0.19 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1sqm s ILE 529 CO 0.54 0.30 0.99 0.59 0.00 0.00 0.00 174.94 177.35 1sqm n ASN 530 N 3.55 1.70 -4.58 3.58 3.02 -1.26 -4.58 115.26 116.69 1sqm n ASN 530 Ca -0.03 -1.35 -0.46 0.00 -0.03 0.00 0.00 54.58 52.71 1sqm n ASN 530 Cb 0.51 0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 40.25 1sqm n ASN 530 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sqm n ASN 531 N -0.39 3.10 -0.36 6.41 2.85 -1.26 -4.83 115.26 120.78 1sqm n ASN 531 Ca 0.07 0.44 0.08 0.00 -0.11 0.00 0.00 54.58 55.06 1sqm n ASN 531 Cb 0.41 -1.45 0.25 0.00 1.24 0.00 0.00 39.78 40.23 1sqm n ASN 531 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1sqm h SER 532 N 13.10 0.91 -0.45 1.20 4.64 -1.90 0.25 113.55 131.29 1sqm h SER 532 Ca -0.40 0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.90 1sqm h SER 532 Cb 1.27 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 1sqm h SER 532 CO 0.97 0.46 -0.02 -0.33 -0.87 0.00 0.00 176.83 177.05 1sqm h GLU 533 N 0.96 0.81 -0.03 4.77 4.39 -1.89 0.23 114.58 123.82 1sqm h GLU 533 Ca 0.51 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1sqm h GLU 533 Cb 0.55 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1sqm h GLU 533 CO -0.28 0.87 -0.00 0.82 -1.16 0.00 0.00 179.01 179.26 1sqm h ILE 534 N 0.65 1.27 -0.56 3.13 2.04 -1.72 -2.48 117.51 119.84 1sqm h ILE 534 Ca 0.13 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1sqm h ILE 534 Cb 0.52 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1sqm h ILE 534 CO 0.03 0.22 0.35 -0.09 0.00 0.00 0.00 178.15 178.66 1sqm h ARG 535 N -0.27 0.69 -0.39 2.37 2.43 -0.49 -0.26 114.38 118.45 1sqm h ARG 535 Ca 0.01 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1sqm h ARG 535 Cb 0.36 -0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1sqm h ARG 535 CO 0.00 0.46 -0.15 0.35 -1.51 0.00 0.00 179.97 179.12 1sqm h PHE 536 N 0.71 -0.36 -0.15 2.20 3.57 -0.94 0.18 116.94 122.15 1sqm h PHE 536 Ca 0.22 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 1sqm h PHE 536 Cb -0.03 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1sqm h PHE 536 CO -0.05 -0.23 -0.47 0.00 -2.23 0.00 0.00 178.31 175.33 1sqm h ARG 537 N -0.07 0.38 -0.21 1.11 3.08 -0.94 -1.43 114.38 116.30 1sqm h ARG 537 Ca 0.19 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1sqm h ARG 537 Cb 0.37 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1sqm h ARG 537 CO -0.44 0.77 -0.00 2.35 -1.07 0.00 0.00 179.97 181.58 1sqm h TRP 538 N 0.31 0.40 -0.42 3.04 -0.00 -0.46 -1.89 115.95 116.94 1sqm h TRP 538 Ca 0.02 -0.07 -0.09 0.00 -0.00 0.00 0.00 58.89 58.75 1sqm h TRP 538 Cb 0.94 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.98 1sqm h TRP 538 CO 0.03 0.56 -0.10 -0.07 -0.00 0.00 0.00 178.44 178.86 1sqm h LEU 539 N 0.13 0.73 -0.61 0.65 3.38 -0.54 -1.14 115.31 117.91 1sqm h LEU 539 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1sqm h LEU 539 Cb 0.40 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1sqm h LEU 539 CO 0.01 0.86 0.31 0.03 0.09 0.00 0.00 178.44 179.74 1sqm h ARG 540 N 0.68 0.86 -0.68 1.13 3.08 -1.15 -0.82 114.38 117.48 1sqm h ARG 540 Ca 0.12 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1sqm h ARG 540 Cb 0.56 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1sqm h ARG 540 CO 0.03 0.67 0.37 1.25 -1.07 0.00 0.00 179.97 181.23 1sqm h LEU 541 N 0.83 0.85 -0.13 3.04 5.85 -0.97 0.11 115.31 124.89 1sqm h LEU 541 Ca 0.21 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1sqm h LEU 541 Cb 0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1sqm h LEU 541 CO -0.03 0.70 0.06 0.00 -0.34 0.00 0.00 178.44 178.83 1sqm h ILE 543 N 0.09 1.26 -0.01 0.00 1.08 -0.98 -0.70 117.51 118.25 1sqm h ILE 543 Ca 0.04 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 1sqm h ILE 543 Cb 0.11 1.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1sqm h ILE 543 CO -0.01 0.20 0.01 1.56 -0.69 0.00 0.00 178.15 179.22 1sqm h GLN 544 N -0.30 0.00 -0.32 2.37 4.20 -0.78 0.38 115.11 120.67 1sqm h GLN 544 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sqm h GLN 544 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1sqm h GLN 544 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 1sqm n SER 545 N -4.19 2.01 -2.57 1.46 7.64 0.42 -4.44 113.62 113.95 1sqm n SER 545 Ca -0.03 -1.90 -0.17 0.00 1.01 0.00 0.00 58.87 57.78 1sqm n SER 545 Cb 0.09 -0.21 0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1sqm n SER 545 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sqm n LYS 546 N 0.57 -4.93 -3.11 1.43 5.02 0.14 -4.44 118.16 112.84 1sqm n LYS 546 Ca 0.14 0.64 -0.43 0.00 -2.02 0.00 0.00 58.31 56.65 1sqm n LYS 546 Cb 0.34 -5.02 -0.07 0.00 -0.02 0.00 0.00 35.03 30.27 1sqm n LYS 546 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1sqm s TRP 547 N -3.14 3.09 0.50 2.13 -0.00 -0.37 -4.94 118.94 116.21 1sqm s TRP 547 Ca 0.34 0.04 0.22 0.00 -0.00 0.00 0.00 56.10 56.70 1sqm s TRP 547 Cb -0.15 -3.29 1.40 0.00 -0.00 0.00 0.00 33.47 31.43 1sqm s TRP 547 CO 0.43 -0.81 2.12 0.93 -0.00 0.00 0.00 176.95 179.62 1sqm h GLU 548 N 8.78 0.00 0.00 5.86 5.08 -1.94 -2.37 114.58 129.99 1sqm h GLU 548 Ca -0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1sqm h GLU 548 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1sqm h GLU 548 CO 0.88 0.08 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.45 1sqm h ASP 549 N 0.00 0.00 1.74 1.42 5.19 -1.97 -2.16 116.42 120.63 1sqm h ASP 549 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1sqm h ASP 549 Cb 0.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1sqm h ASP 549 CO 0.01 0.07 -0.12 0.00 -3.12 0.00 0.00 179.24 176.09 1sqm h ALA 550 N 1.93 0.93 -0.29 3.45 0.00 -1.80 -3.37 119.26 120.12 1sqm h ALA 550 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1sqm h ALA 550 Cb 0.32 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1sqm h ALA 550 CO 0.01 0.14 -0.51 0.82 0.00 0.00 0.00 179.25 179.72 1sqm h ILE 551 N 0.00 0.04 -0.67 0.00 2.04 -1.52 0.28 117.51 117.68 1sqm h ILE 551 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1sqm h ILE 551 Cb 1.02 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1sqm h ILE 551 CO 0.02 0.00 0.45 1.55 0.00 0.00 0.00 178.15 180.16 1sqm h PRO 552 N -0.45 0.64 -0.38 2.37 0.13 -1.77 0.13 132.00 132.66 1sqm h PRO 552 Ca 0.08 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 1sqm h PRO 552 Cb 0.63 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1sqm h PRO 552 CO -0.52 0.42 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.48 1sqm h LEU 553 N 0.66 0.78 -0.29 1.56 3.38 -1.19 0.28 115.31 120.48 1sqm h LEU 553 Ca 0.30 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1sqm h LEU 553 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sqm h LEU 553 CO -0.09 0.98 -0.00 0.00 0.09 0.00 0.00 178.44 179.41 1sqm h ALA 554 N 0.82 0.39 -0.81 1.53 0.00 0.07 -1.31 119.26 119.96 1sqm h ALA 554 Ca 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1sqm h ALA 554 Cb 0.66 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1sqm h ALA 554 CO 0.04 0.14 0.36 -0.07 0.00 0.00 0.00 179.25 179.72 1sqm h LEU 555 N 0.30 1.08 0.23 0.00 3.38 -0.70 -0.52 115.31 119.09 1sqm h LEU 555 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1sqm h LEU 555 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sqm h LEU 555 CO 0.02 0.94 -0.11 0.50 0.09 0.00 0.00 178.44 179.87 1sqm h LYS 556 N 1.16 -0.30 -0.32 1.13 3.64 -0.76 -2.55 116.57 118.57 1sqm h LYS 556 Ca 0.27 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1sqm h LYS 556 Cb 0.17 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1sqm h LYS 556 CO -0.03 -0.14 0.10 1.98 -2.27 0.00 0.00 179.45 179.10 1sqm h MET 557 N -0.39 0.46 0.00 1.90 4.05 -1.09 0.09 114.93 119.95 1sqm h MET 557 Ca -0.03 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1sqm h MET 557 Cb 0.30 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1sqm h MET 557 CO 0.05 0.41 -0.27 0.00 0.23 0.00 0.00 176.91 177.33 1sqm h ALA 558 N 1.66 1.36 0.00 0.39 0.00 -0.84 -3.31 119.26 118.52 1sqm h ALA 558 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1sqm h ALA 558 Cb 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sqm h ALA 558 CO -0.01 0.34 -1.54 0.25 0.00 0.00 0.00 179.25 178.30 1sqm n THR 559 N -3.94 0.16 0.73 0.00 -2.24 -0.93 -4.54 114.28 103.52 1sqm n THR 559 Ca -0.02 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1sqm n THR 559 Cb 0.35 0.02 0.49 0.00 -2.10 0.00 0.00 70.33 69.09 1sqm n THR 559 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sqm n GLU 560 N -1.99 0.10 -3.94 -0.78 1.02 -0.03 -4.75 120.64 110.28 1sqm n GLU 560 Ca -0.05 0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1sqm n GLU 560 Cb 0.41 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 1sqm n GLU 560 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1sqm s GLN 561 N -3.07 0.69 -0.10 3.49 1.03 -1.25 -4.78 119.66 115.67 1sqm s GLN 561 Ca 0.11 -0.94 0.14 0.00 0.04 0.00 0.00 55.36 54.71 1sqm s GLN 561 Cb 0.14 0.27 0.24 0.00 0.03 0.00 0.00 33.01 33.69 1sqm s GLN 561 CO 0.48 -0.18 1.12 0.41 -2.54 0.00 0.00 175.29 174.58 1sqm n GLY 562 N 0.31 3.63 3.63 2.60 0.00 0.13 -4.69 105.19 110.80 1sqm n GLY 562 Ca -0.16 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1sqm n GLY 562 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqm s ALA 563 N -2.06 3.22 0.39 4.61 0.00 -1.23 -4.30 121.76 122.39 1sqm s ALA 563 Ca 0.25 1.03 0.14 0.00 0.00 0.00 0.00 51.96 53.38 1sqm s ALA 563 Cb 0.23 -3.93 0.99 0.00 0.00 0.00 0.00 23.12 20.40 1sqm s ALA 563 CO -0.00 -2.08 1.83 0.52 0.00 0.00 0.00 175.76 176.03 1sqm h MET 564 N 12.33 0.50 0.00 0.00 2.86 -1.42 0.25 114.93 129.45 1sqm h MET 564 Ca -0.45 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1sqm h MET 564 Cb 1.23 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1sqm h MET 564 CO 0.95 0.33 -0.00 1.57 1.06 0.00 0.00 176.91 180.82 1sqm h LYS 565 N 0.51 0.00 0.00 1.72 2.10 -1.88 -1.58 116.57 117.44 1sqm h LYS 565 Ca 0.50 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.76 1sqm h LYS 565 Cb 1.10 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.37 1sqm h LYS 565 CO -0.23 0.00 -2.29 1.19 -2.00 0.00 0.00 179.45 176.13 1sqm n PHE 566 N -3.48 0.00 -0.18 0.07 3.72 0.70 -4.55 117.46 113.73 1sqm n PHE 566 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 1sqm n PHE 566 Cb 0.08 -0.83 0.06 0.00 -0.94 0.00 0.00 39.48 37.85 1sqm n PHE 566 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1sqm h THR 567 N -0.81 1.01 -0.13 4.37 2.02 -1.04 -2.38 112.91 115.94 1sqm h THR 567 Ca -0.58 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1sqm h THR 567 Cb 1.52 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1sqm h THR 567 CO -0.35 0.11 0.02 0.03 0.37 0.00 0.00 175.52 175.70 1sqm h ARG 568 N 0.60 0.21 0.00 6.66 3.08 -1.52 -1.85 114.38 121.56 1sqm h ARG 568 Ca 0.23 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1sqm h ARG 568 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1sqm h ARG 568 CO -0.13 0.40 -0.29 -1.35 -1.07 0.00 0.00 179.97 177.53 1sqm h PRO 569 N -0.01 0.00 0.01 0.04 0.11 -1.74 -1.37 132.00 129.04 1sqm h PRO 569 Ca 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1sqm h PRO 569 Cb 0.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1sqm h PRO 569 CO 0.00 0.29 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.01 1sqm h LEU 570 N 0.00 -0.01 -1.03 2.35 3.38 -1.26 0.25 115.31 118.99 1sqm h LEU 570 Ca -0.00 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1sqm h LEU 570 Cb 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1sqm h LEU 570 CO 0.04 0.47 0.65 -0.26 0.09 0.00 0.00 178.44 179.43 1sqm h PHE 571 N -0.49 1.23 -0.50 1.13 0.04 -1.22 0.24 116.94 117.37 1sqm h PHE 571 Ca -0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1sqm h PHE 571 Cb 0.48 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1sqm h PHE 571 CO 0.09 0.76 0.16 -0.22 -0.60 0.00 0.00 178.31 178.50 1sqm h LYS 572 N 1.31 0.78 -0.11 1.51 3.64 -1.17 0.15 116.57 122.68 1sqm h LYS 572 Ca 0.37 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1sqm h LYS 572 Cb -0.11 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1sqm h LYS 572 CO -0.09 0.72 0.03 -0.44 -2.27 0.00 0.00 179.45 177.41 1sqm h ASP 573 N 0.68 0.16 -0.58 4.20 5.19 -0.25 -1.16 116.42 124.67 1sqm h ASP 573 Ca 0.16 -0.20 0.07 0.00 -0.62 0.00 0.00 57.03 56.44 1sqm h ASP 573 Cb 0.27 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 1sqm h ASP 573 CO -0.01 0.32 0.38 -0.07 -3.12 0.00 0.00 179.24 176.75 1sqm h LEU 574 N -0.01 0.46 -0.11 1.55 3.38 -0.33 -1.41 115.31 118.83 1sqm h LEU 574 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sqm h LEU 574 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1sqm h LEU 574 CO -0.00 0.30 -0.34 0.00 0.09 0.00 0.00 178.44 178.49 1sqm h ALA 575 N 1.69 0.80 0.00 1.53 0.00 -0.29 -2.96 119.26 120.02 1sqm h ALA 575 Ca 0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sqm h ALA 575 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1sqm h ALA 575 CO -0.07 0.42 -0.37 0.00 0.00 0.00 0.00 179.25 179.23 1sqm n ALA 576 N -2.19 2.98 -2.54 0.00 0.00 -0.47 -4.60 120.51 113.69 1sqm n ALA 576 Ca 0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1sqm n ALA 576 Cb 0.65 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1sqm n ALA 576 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1sqm s PHE 577 N -3.05 3.16 0.41 0.00 5.36 -0.93 -4.97 117.98 117.97 1sqm s PHE 577 Ca 0.10 0.03 0.18 0.00 -0.96 0.00 0.00 56.93 56.28 1sqm s PHE 577 Cb 0.16 -2.95 1.08 0.00 -0.34 0.00 0.00 43.02 40.97 1sqm s PHE 577 CO 0.66 -0.60 1.83 0.38 -1.46 0.00 0.00 175.22 176.03 1sqm h ASP 578 N 8.57 0.43 0.89 6.13 3.04 -1.86 -1.51 116.42 132.11 1sqm h ASP 578 Ca -0.27 0.05 -0.02 0.00 -3.24 0.00 0.00 57.03 53.55 1sqm h ASP 578 Cb 1.12 -0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 39.38 1sqm h ASP 578 CO 0.78 0.15 -0.10 0.11 -2.04 0.00 0.00 179.24 178.15 1sqm h LYS 579 N 0.42 0.00 -0.00 4.15 1.79 -1.93 -3.20 116.57 117.79 1sqm h LYS 579 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1sqm h LYS 579 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1sqm h LYS 579 CO -0.21 0.10 -0.16 -1.13 -1.08 0.00 0.00 179.45 176.97 1sqm n SER 580 N -3.27 0.97 -0.12 0.86 3.41 -0.69 -4.78 113.62 110.00 1sqm n SER 580 Ca 0.00 -0.99 -0.14 0.00 -0.26 0.00 0.00 58.87 57.49 1sqm n SER 580 Cb 0.34 0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.70 1sqm n SER 580 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1sqm h HIS 581 N 0.74 -1.65 -0.89 7.33 6.17 -1.14 0.20 115.15 125.91 1sqm h HIS 581 Ca 0.00 0.08 0.01 0.00 0.71 0.00 0.00 60.37 61.17 1sqm h HIS 581 Cb 0.24 0.77 -0.04 0.00 2.52 0.00 0.00 27.41 30.89 1sqm h HIS 581 CO 0.00 -0.50 0.59 -0.44 0.71 0.00 0.00 177.93 178.29 1sqm h ASP 582 N -0.42 1.02 -0.06 3.26 3.32 -1.86 -1.63 116.42 120.04 1sqm h ASP 582 Ca 0.07 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1sqm h ASP 582 Cb 0.61 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1sqm h ASP 582 CO -0.57 0.73 -0.21 -0.61 -1.72 0.00 0.00 179.24 176.86 1sqm h GLN 583 N 1.20 0.46 0.39 3.56 4.15 -1.57 -0.83 115.11 122.47 1sqm h GLN 583 Ca 0.33 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1sqm h GLN 583 Cb -0.13 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1sqm h GLN 583 CO -0.07 0.65 -0.19 0.00 -1.93 0.00 0.00 178.83 177.29 1sqm h ALA 584 N 1.37 -0.53 -0.39 3.38 0.00 0.26 0.16 119.26 123.51 1sqm h ALA 584 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1sqm h ALA 584 Cb 0.60 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1sqm h ALA 584 CO 0.04 -0.74 0.13 0.28 0.00 0.00 0.00 179.25 178.96 1sqm h VAL 585 N -0.64 0.87 -0.73 0.00 2.07 -1.27 -1.37 116.25 115.19 1sqm h VAL 585 Ca -0.05 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1sqm h VAL 585 Cb 0.47 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1sqm h VAL 585 CO 0.09 0.05 0.35 -0.09 0.02 0.00 0.00 177.57 177.99 1sqm h ARG 586 N 0.29 1.04 -0.30 1.57 2.43 -1.03 -0.78 114.38 117.60 1sqm h ARG 586 Ca 0.18 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1sqm h ARG 586 Cb 0.17 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1sqm h ARG 586 CO -0.19 0.80 -0.37 1.15 -1.51 0.00 0.00 179.97 179.85 1sqm h THR 587 N 1.03 1.29 -0.12 0.20 2.02 -0.56 -2.06 112.91 114.71 1sqm h THR 587 Ca 0.25 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1sqm h THR 587 Cb 0.10 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1sqm h THR 587 CO -0.03 0.49 0.00 0.22 0.37 0.00 0.00 175.52 176.57 1sqm h TYR 588 N 0.58 0.24 -0.87 3.16 3.20 -0.73 -1.93 116.97 120.61 1sqm h TYR 588 Ca 0.05 -0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.93 1sqm h TYR 588 Cb 0.90 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 1sqm h TYR 588 CO 0.04 0.45 0.57 1.96 -1.64 0.00 0.00 178.16 179.55 1sqm h GLN 589 N -0.05 1.01 0.00 1.82 1.08 -1.05 0.13 115.11 118.05 1sqm h GLN 589 Ca 0.03 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1sqm h GLN 589 Cb 0.36 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1sqm h GLN 589 CO 0.01 0.67 -0.38 0.93 -0.95 0.00 0.00 178.83 179.11 1sqm h GLU 590 N 1.04 0.00 0.00 1.46 5.08 -1.26 -3.29 114.58 117.62 1sqm h GLU 590 Ca 0.36 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.50 1sqm h GLU 590 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1sqm h GLU 590 CO -0.12 0.38 -1.86 0.72 -1.00 0.00 0.00 179.01 177.12 1sqm n HIS 591 N -3.38 0.51 -0.19 4.33 8.25 -0.74 -4.63 115.22 119.37 1sqm n HIS 591 Ca 0.01 0.17 -0.05 0.00 -0.26 0.00 0.00 57.72 57.59 1sqm n HIS 591 Cb 0.57 -0.98 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 1sqm n HIS 591 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1sqm n LYS 592 N -2.76 -0.20 -0.31 -0.41 4.81 0.38 -0.63 118.16 119.04 1sqm n LYS 592 Ca -0.17 0.79 0.25 0.00 -0.87 0.00 0.00 58.31 58.30 1sqm n LYS 592 Cb 0.93 -1.16 0.56 0.00 0.02 0.00 0.00 35.03 35.38 1sqm n LYS 592 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sqm h ALA 593 N 0.14 2.41 -0.45 3.14 0.00 -1.82 -0.16 119.26 122.52 1sqm h ALA 593 Ca 0.07 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1sqm h ALA 593 Cb 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1sqm h ALA 593 CO -0.43 -0.79 0.08 -1.13 0.00 0.00 0.00 179.25 176.98 1sqm n SER 594 N -4.53 3.85 -4.97 0.00 3.41 0.20 -4.97 113.62 106.61 1sqm n SER 594 Ca 0.25 -3.29 -0.21 0.00 -0.26 0.00 0.00 58.87 55.36 1sqm n SER 594 Cb 0.93 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1sqm n SER 594 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1sqm s MET 595 N -3.00 3.24 0.26 4.33 1.00 -0.07 -5.06 119.30 120.00 1sqm s MET 595 Ca 0.47 -0.72 -0.30 0.00 0.00 0.00 0.00 55.69 55.14 1sqm s MET 595 Cb 0.39 -2.75 -0.10 0.00 0.00 0.00 0.00 34.83 32.37 1sqm s MET 595 CO 0.08 0.08 1.38 -1.58 0.00 0.00 0.00 175.02 174.98 1sqm s HIS 596 N -2.24 3.07 0.24 -0.03 5.65 -1.26 -4.84 115.29 115.89 1sqm s HIS 596 Ca 0.42 1.17 -0.05 0.00 0.25 0.00 0.00 55.06 56.85 1sqm s HIS 596 Cb -0.10 -3.74 0.46 0.00 -1.18 0.00 0.00 32.58 28.02 1sqm s HIS 596 CO 0.33 -2.30 1.67 -1.00 -0.65 0.00 0.00 174.74 172.79 1sqm h PRO 597 N 4.67 0.20 -0.24 2.88 0.13 -1.89 0.17 132.00 137.93 1sqm h PRO 597 Ca -0.46 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1sqm h PRO 597 Cb 1.22 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1sqm h PRO 597 CO 0.74 0.13 -0.55 0.28 -0.23 0.00 0.00 178.00 178.37 1sqm h VAL 598 N 0.21 1.30 -0.51 1.56 2.07 -1.91 -2.46 116.25 116.51 1sqm h VAL 598 Ca 0.42 -1.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.06 1sqm h VAL 598 Cb 0.73 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1sqm h VAL 598 CO -0.56 0.56 -0.09 0.74 0.02 0.00 0.00 177.57 178.24 1sqm h THR 599 N 0.55 1.26 -0.35 2.57 2.02 -1.75 -1.77 112.91 115.45 1sqm h THR 599 Ca 0.01 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 1sqm h THR 599 Cb 1.13 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1sqm h THR 599 CO 0.11 0.43 0.15 0.00 0.37 0.00 0.00 175.52 176.58 1sqm h ALA 600 N 1.04 0.45 -0.46 6.16 0.00 -0.93 -1.06 119.26 124.46 1sqm h ALA 600 Ca 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sqm h ALA 600 Cb 0.63 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1sqm h ALA 600 CO 0.04 0.04 0.23 1.98 0.00 0.00 0.00 179.25 181.55 1sqm h MET 601 N 0.42 0.66 -0.31 0.00 -1.53 -1.28 -0.11 114.93 112.78 1sqm h MET 601 Ca 0.12 -0.09 -0.16 0.00 -3.44 0.00 0.00 59.70 56.12 1sqm h MET 601 Cb 0.17 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 31.09 1sqm h MET 601 CO -0.01 0.55 -0.45 -0.07 0.14 0.00 0.00 176.91 177.07 1sqm h LEU 602 N 0.60 0.89 -0.63 3.39 3.38 -1.19 -1.78 115.31 119.98 1sqm h LEU 602 Ca 0.16 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.56 1sqm h LEU 602 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1sqm h LEU 602 CO -0.02 1.20 -0.36 0.58 0.09 0.00 0.00 178.44 179.93 1sqm h VAL 603 N 0.66 1.29 -0.52 1.22 2.07 -1.12 -1.06 116.25 118.79 1sqm h VAL 603 Ca 0.04 -1.52 0.07 0.00 0.82 0.00 0.00 66.70 66.11 1sqm h VAL 603 Cb 1.03 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.19 1sqm h VAL 603 CO 0.10 0.49 0.19 1.23 0.02 0.00 0.00 177.57 179.60 1sqm h GLY 604 N 0.99 0.70 1.61 2.17 0.00 -0.79 0.09 103.07 107.84 1sqm h GLY 604 Ca 0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1sqm h GLY 604 CO 0.08 0.01 -0.47 0.50 0.00 0.00 0.00 176.54 176.66 1sqm h LYS 605 N 0.38 0.42 -0.60 4.80 1.57 -1.04 -1.34 116.57 120.76 1sqm h LYS 605 Ca 0.25 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1sqm h LYS 605 Cb 0.27 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1sqm h LYS 605 CO -0.25 0.81 0.04 -0.44 -0.57 0.00 0.00 179.45 179.04 1sqm h ASP 606 N 0.34 1.01 0.79 0.86 3.32 -0.29 -2.70 116.42 119.75 1sqm h ASP 606 Ca 0.02 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1sqm h ASP 606 Cb 0.96 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1sqm h ASP 606 CO 0.08 1.05 -0.13 0.18 -1.72 0.00 0.00 179.24 178.70 1sqm n LEU 607 N -4.23 0.17 -3.67 1.55 4.32 -0.07 -4.93 117.00 110.14 1sqm n LEU 607 Ca 0.03 0.32 -0.24 0.00 -0.02 0.00 0.00 56.01 56.10 1sqm n LEU 607 Cb 0.32 -0.39 0.06 0.00 -1.62 0.00 0.00 43.42 41.78 1sqm n LEU 607 CO 0.43 0.04 0.12 0.29 -1.22 0.00 0.00 177.39 177.05 1sqm n LYS 608 N -1.44 -6.46 -4.11 3.23 5.02 -0.58 -5.00 118.16 108.83 1sqm n LYS 608 Ca 0.08 0.73 -0.26 0.00 -2.02 0.00 0.00 58.31 56.84 1sqm n LYS 608 Cb 0.33 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.64 1sqm n LYS 608 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1sqm s VAL 609 N -3.39 4.34 0.00 -0.18 -7.23 -0.77 -5.04 120.40 108.12 1sqm s VAL 609 Ca 0.36 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1sqm s VAL 609 Cb -0.17 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1sqm s VAL 609 CO 0.77 -0.15 0.00 0.47 -0.31 0.00 0.00 175.10 175.88