#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1x s PRO 2 N 0.00 3.53 -0.07 0.00 0.02 -1.26 -5.06 135.00 132.17 1b1x s PRO 2 Ca 0.00 1.94 0.04 0.00 0.02 0.00 0.00 61.00 62.99 1b1x s PRO 2 Cb 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 32.17 1b1x s PRO 2 CO 0.00 -0.78 -0.18 0.50 -0.33 0.00 0.00 177.00 176.20 1b1x s ARG 3 N -2.78 2.24 0.62 5.54 6.06 -1.26 -5.15 118.95 124.23 1b1x s ARG 3 Ca 0.66 -0.66 -0.10 0.00 -2.50 0.00 0.00 55.73 53.13 1b1x s ARG 3 Cb -0.33 -1.80 0.16 0.00 0.06 0.00 0.00 34.95 33.04 1b1x s ARG 3 CO 0.39 0.16 0.40 1.17 -2.50 0.00 0.00 175.30 174.92 1b1x n LYS 4 N 3.48 -2.97 -3.75 5.12 3.00 -1.26 -5.03 118.16 116.75 1b1x n LYS 4 Ca -0.20 -0.67 -0.27 0.00 -0.00 0.00 0.00 58.31 57.17 1b1x n LYS 4 Cb 0.52 -0.81 -0.03 0.00 0.00 0.00 0.00 35.03 34.72 1b1x n LYS 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1b1x s SER 5 N -2.55 6.38 -0.14 3.14 1.04 -1.26 -4.88 113.70 115.41 1b1x s SER 5 Ca 0.30 0.35 -0.28 0.00 0.48 0.00 0.00 55.95 56.80 1b1x s SER 5 Cb -0.05 -1.99 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 1b1x s SER 5 CO 0.24 -0.02 0.93 -0.69 0.98 0.00 0.00 173.24 174.68 1b1x s VAL 6 N -1.84 4.82 -0.41 5.02 1.01 -1.07 -4.91 120.40 123.03 1b1x s VAL 6 Ca 0.38 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.99 1b1x s VAL 6 Cb -0.11 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1b1x s VAL 6 CO 0.29 0.01 0.71 -0.13 0.00 0.00 0.00 175.10 175.98 1b1x s ARG 7 N 2.13 3.52 -0.18 2.72 0.52 -1.26 -1.60 118.95 124.80 1b1x s ARG 7 Ca 0.43 -0.04 -0.15 0.00 -0.52 0.00 0.00 55.73 55.45 1b1x s ARG 7 Cb -0.17 -3.88 -0.04 0.00 0.52 0.00 0.00 34.95 31.37 1b1x s ARG 7 CO 0.15 -0.94 0.37 -0.46 0.02 0.00 0.00 175.30 174.43 1b1x s TRP 8 N 2.99 3.42 -0.13 -0.53 -0.11 0.42 -1.42 118.94 123.59 1b1x s TRP 8 Ca 0.27 0.64 -0.22 0.00 1.22 0.00 0.00 56.10 58.01 1b1x s TRP 8 Cb -0.13 -2.46 -0.03 0.00 -1.50 0.00 0.00 33.47 29.34 1b1x s TRP 8 CO 0.19 0.10 0.65 0.00 -4.62 0.00 0.00 176.95 173.26 1b1x s THR 10 N 1.27 3.73 -0.38 0.00 -4.23 -0.56 -4.85 115.64 110.62 1b1x s THR 10 Ca 0.32 -1.59 0.03 0.00 -1.18 0.00 0.00 61.69 59.28 1b1x s THR 10 Cb -0.16 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.79 1b1x s THR 10 CO 0.13 -0.23 0.77 2.30 -0.54 0.00 0.00 174.62 177.05 1b1x n ILE 11 N -0.53 0.33 -3.53 2.99 -5.35 -1.24 -0.94 119.36 111.10 1b1x n ILE 11 Ca -0.08 -0.67 -0.10 0.00 -0.27 0.00 0.00 62.75 61.63 1b1x n ILE 11 Cb 0.57 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.32 1b1x n ILE 11 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1b1x s SER 12 N -0.53 -0.39 0.26 7.28 1.04 -1.26 -4.27 113.70 115.84 1b1x s SER 12 Ca 0.05 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1b1x s SER 12 Cb 0.03 0.37 0.55 0.00 0.10 0.00 0.00 66.02 67.07 1b1x s SER 12 CO 0.04 -0.54 1.73 -0.65 0.98 0.00 0.00 173.24 174.81 1b1x h PRO 13 N 2.24 0.46 -0.89 4.02 0.11 -1.97 0.36 132.00 136.34 1b1x h PRO 13 Ca -0.21 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.88 1b1x h PRO 13 Cb 1.21 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1b1x h PRO 13 CO 0.31 0.31 0.59 0.00 -0.21 0.00 0.00 178.00 179.00 1b1x h ALA 14 N 1.60 1.38 -0.08 -0.75 0.00 -1.97 -0.61 119.26 118.82 1b1x h ALA 14 Ca 0.47 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1b1x h ALA 14 Cb 0.75 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1b1x h ALA 14 CO -0.43 0.56 -0.86 1.49 0.00 0.00 0.00 179.25 180.01 1b1x h GLU 15 N 1.19 0.66 0.31 0.00 4.81 -0.83 -2.18 114.58 118.53 1b1x h GLU 15 Ca 0.34 -0.60 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1b1x h GLU 15 Cb -0.10 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1b1x h GLU 15 CO -0.08 1.21 -0.20 0.00 -0.73 0.00 0.00 179.01 179.21 1b1x h ALA 16 N 0.61 -0.49 -0.61 2.92 0.00 -0.21 0.51 119.26 121.99 1b1x h ALA 16 Ca -0.07 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1b1x h ALA 16 Cb 1.49 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 1b1x h ALA 16 CO 0.17 -0.79 0.01 0.00 0.00 0.00 0.00 179.25 178.64 1b1x h ALA 17 N 0.17 0.61 -0.41 0.00 0.00 -1.12 0.37 119.26 118.88 1b1x h ALA 17 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b1x h ALA 17 Cb 0.42 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1b1x h ALA 17 CO 0.02 -0.39 0.27 -0.22 0.00 0.00 0.00 179.25 178.93 1b1x h LYS 18 N 0.13 0.54 -0.82 0.00 3.64 -0.97 -1.16 116.57 117.93 1b1x h LYS 18 Ca 0.32 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1b1x h LYS 18 Cb 0.51 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 1b1x h LYS 18 CO -0.51 0.37 0.53 0.00 -2.27 0.00 0.00 179.45 177.56 1b1x h ALA 20 N 1.34 1.06 -0.48 0.00 0.00 0.05 0.21 119.26 121.43 1b1x h ALA 20 Ca 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1b1x h ALA 20 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1b1x h ALA 20 CO -0.12 0.57 0.18 -0.22 0.00 0.00 0.00 179.25 179.66 1b1x h LYS 21 N 1.15 0.69 -0.12 0.00 3.64 -0.40 0.65 116.57 122.19 1b1x h LYS 21 Ca 0.29 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1b1x h LYS 21 Cb 0.03 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1b1x h LYS 21 CO -0.05 0.59 -0.10 0.35 -2.27 0.00 0.00 179.45 177.97 1b1x h PHE 22 N 0.69 0.34 -0.40 1.91 3.57 0.38 -0.59 116.94 122.83 1b1x h PHE 22 Ca 0.16 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1b1x h PHE 22 Cb 0.16 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1b1x h PHE 22 CO 0.01 0.67 0.26 0.37 -2.23 0.00 0.00 178.31 177.39 1b1x h GLN 23 N -0.10 0.52 0.59 1.11 4.15 -0.29 -0.69 115.11 120.40 1b1x h GLN 23 Ca 0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1b1x h GLN 23 Cb 0.61 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1b1x h GLN 23 CO 0.03 0.35 -0.34 -0.09 -1.93 0.00 0.00 178.83 176.85 1b1x h ARG 24 N 0.53 -0.84 0.00 1.69 2.43 -0.80 -2.51 114.38 114.88 1b1x h ARG 24 Ca 0.14 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1b1x h ARG 24 Cb -0.05 0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1b1x h ARG 24 CO -0.03 -0.56 -0.02 -0.91 -1.51 0.00 0.00 179.97 176.94 1b1x h ASN 25 N -0.87 0.00 -0.23 -3.80 4.21 -1.00 -2.56 115.58 111.32 1b1x h ASN 25 Ca -0.07 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.32 1b1x h ASN 25 Cb 0.70 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1b1x h ASN 25 CO 0.09 0.02 -0.31 -0.03 -1.29 0.00 0.00 177.43 175.92 1b1x h MET 26 N 0.00 0.61 0.00 0.81 4.05 -0.78 -2.66 114.93 116.97 1b1x h MET 26 Ca -0.00 -0.35 -0.12 0.00 -0.28 0.00 0.00 59.70 58.95 1b1x h MET 26 Cb 0.33 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1b1x h MET 26 CO 0.00 0.96 -0.55 -0.22 0.23 0.00 0.00 176.91 177.33 1b1x h LYS 27 N 0.31 0.00 0.00 0.39 3.11 -1.27 -1.57 116.57 117.54 1b1x h LYS 27 Ca 0.03 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1b1x h LYS 27 Cb 0.88 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.11 1b1x h LYS 27 CO 0.07 0.55 -0.22 -0.22 -2.81 0.00 0.00 179.45 176.83 1b1x h LYS 28 N 0.00 0.00 -0.01 1.90 3.64 -1.41 -1.65 116.57 119.04 1b1x h LYS 28 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1b1x h LYS 28 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1b1x h LYS 28 CO 0.07 0.22 -0.26 0.28 -2.27 0.00 0.00 179.45 177.49 1b1x n VAL 29 N -3.43 0.00 -3.49 2.00 0.31 -1.01 -4.95 118.33 107.77 1b1x n VAL 29 Ca -0.00 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 63.96 1b1x n VAL 29 Cb 0.40 0.59 0.06 0.00 -0.91 0.00 0.00 33.84 33.99 1b1x n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1b1x n ARG 30 N -0.39 -4.07 -4.66 5.55 1.74 -0.62 -5.00 116.66 109.20 1b1x n ARG 30 Ca 0.12 0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 57.64 1b1x n ARG 30 Cb 0.38 -5.43 -0.07 0.00 -1.02 0.00 0.00 32.46 26.31 1b1x n ARG 30 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1b1x s GLY 31 N -3.95 2.92 0.16 -0.13 0.00 -0.63 -5.03 107.32 100.65 1b1x s GLY 31 Ca 0.21 -0.60 -0.33 0.00 0.00 0.00 0.00 44.72 43.99 1b1x s GLY 31 CO 0.77 -2.04 1.11 -1.05 0.00 0.00 0.00 173.10 171.90 1b1x n PRO 32 N -1.14 0.98 -2.61 2.90 -0.02 -1.26 -4.55 135.00 129.29 1b1x n PRO 32 Ca -0.14 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.31 1b1x n PRO 32 Cb 0.66 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.28 1b1x n PRO 32 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1b1x s SER 33 N -0.08 7.09 0.30 2.55 1.04 -1.26 -4.78 113.70 118.55 1b1x s SER 33 Ca 0.74 2.02 0.10 0.00 0.48 0.00 0.00 55.95 59.29 1b1x s SER 33 Cb -0.89 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 62.57 1b1x s SER 33 CO 0.53 -0.26 -0.13 -0.69 0.98 0.00 0.00 173.24 173.68 1b1x s VAL 34 N -1.52 2.15 0.05 5.02 1.01 -1.26 -2.60 120.40 123.25 1b1x s VAL 34 Ca 0.52 -2.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.18 1b1x s VAL 34 Cb -0.23 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 1b1x s VAL 34 CO 0.29 -0.32 0.11 -0.55 0.00 0.00 0.00 175.10 174.63 1b1x s SER 35 N -3.51 0.18 -0.15 3.32 0.15 -0.63 -4.89 113.70 108.17 1b1x s SER 35 Ca 0.30 -0.58 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1b1x s SER 35 Cb 0.00 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 1b1x s SER 35 CO 0.14 -0.57 -0.04 0.00 1.20 0.00 0.00 173.24 173.97 1b1x s ILE 37 N 1.71 4.46 -0.21 0.00 -1.09 0.50 -4.95 121.20 121.62 1b1x s ILE 37 Ca 0.02 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1b1x s ILE 37 Cb -0.14 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1b1x s ILE 37 CO -0.08 -0.62 -0.01 -0.13 -1.23 0.00 0.00 174.94 172.88 1b1x s ARG 38 N -4.71 1.12 0.44 2.79 0.52 -1.26 -1.49 118.95 116.35 1b1x s ARG 38 Ca 0.48 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1b1x s ARG 38 Cb -0.10 -2.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 1b1x s ARG 38 CO 0.42 -0.62 0.01 0.15 0.02 0.00 0.00 175.30 175.29 1b1x s LYS 39 N 1.64 2.02 0.00 3.54 -0.14 -0.11 -4.97 119.74 121.71 1b1x s LYS 39 Ca -0.03 -2.19 0.21 0.00 -1.36 0.00 0.00 55.97 52.60 1b1x s LYS 39 Cb -0.18 -1.56 0.23 0.00 -1.68 0.00 0.00 37.83 34.65 1b1x s LYS 39 CO -0.07 -0.15 1.21 0.25 -0.76 0.00 0.00 175.35 175.83 1b1x n THR 40 N -1.04 0.17 -3.54 2.17 -2.24 -1.26 -3.64 114.28 104.89 1b1x n THR 40 Ca -0.09 -0.59 -0.08 0.00 -2.27 0.00 0.00 64.05 61.02 1b1x n THR 40 Cb 0.67 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 70.14 1b1x n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b1x s SER 41 N -1.60 -0.31 0.43 3.42 1.04 -1.26 -4.54 113.70 110.88 1b1x s SER 41 Ca 0.28 0.10 0.11 0.00 0.48 0.00 0.00 55.95 56.91 1b1x s SER 41 Cb 0.18 0.30 0.97 0.00 0.10 0.00 0.00 66.02 67.57 1b1x s SER 41 CO 0.27 -0.45 2.04 0.28 0.98 0.00 0.00 173.24 176.35 1b1x h SER 42 N 2.13 0.38 0.13 7.02 0.02 -1.94 0.22 113.55 121.51 1b1x h SER 42 Ca -0.18 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1b1x h SER 42 Cb 1.20 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1b1x h SER 42 CO 0.29 0.26 -0.17 -0.26 -1.14 0.00 0.00 176.83 175.81 1b1x h PHE 43 N 0.44 0.10 -0.00 3.45 0.04 -1.95 -2.29 116.94 116.73 1b1x h PHE 43 Ca 0.18 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.76 1b1x h PHE 43 Cb 0.18 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 1b1x h PHE 43 CO -0.00 0.27 -0.82 1.49 -0.60 0.00 0.00 178.31 178.65 1b1x h GLU 44 N 0.09 0.08 0.00 1.51 4.81 -0.97 -2.99 114.58 117.11 1b1x h GLU 44 Ca 0.02 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 1b1x h GLU 44 Cb 0.36 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1b1x h GLU 44 CO 0.02 0.85 -0.65 0.00 -0.73 0.00 0.00 179.01 178.51 1b1x h ILE 46 N 0.00 0.83 -0.07 0.00 2.04 -1.37 0.54 117.51 119.48 1b1x h ILE 46 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1b1x h ILE 46 Cb 1.16 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1b1x h ILE 46 CO 0.08 0.00 0.03 1.56 0.00 0.00 0.00 178.15 179.82 1b1x h GLN 47 N -0.23 0.10 -0.50 2.37 4.20 -1.36 -1.49 115.11 118.19 1b1x h GLN 47 Ca -0.02 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1b1x h GLN 47 Cb 0.18 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1b1x h GLN 47 CO 0.04 0.21 0.22 0.00 -0.67 0.00 0.00 178.83 178.62 1b1x h ALA 48 N 0.89 0.63 0.22 3.87 0.00 0.01 -2.57 119.26 122.30 1b1x h ALA 48 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1b1x h ALA 48 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1b1x h ALA 48 CO -0.00 -0.15 -0.11 0.82 0.00 0.00 0.00 179.25 179.82 1b1x h ILE 49 N 0.44 0.80 -0.13 0.00 2.04 0.33 -0.43 117.51 120.56 1b1x h ILE 49 Ca 0.23 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.05 1b1x h ILE 49 Cb 0.19 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1b1x h ILE 49 CO -0.19 0.02 0.11 0.00 0.00 0.00 0.00 178.15 178.09 1b1x h ALA 50 N 0.44 1.92 -0.44 1.87 0.00 -1.09 -0.33 119.26 121.64 1b1x h ALA 50 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b1x h ALA 50 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b1x h ALA 50 CO 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1b1x n ALA 51 N -2.45 2.71 -2.45 0.00 0.00 -0.99 -4.92 120.51 112.41 1b1x n ALA 51 Ca 0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 1b1x n ALA 51 Cb 0.23 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1b1x n ALA 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1b1x n ASN 52 N 0.74 -5.49 0.00 0.00 4.05 -0.13 -4.87 115.26 109.56 1b1x n ASN 52 Ca 0.16 -0.06 -0.05 0.00 0.45 0.00 0.00 54.58 55.09 1b1x n ASN 52 Cb 0.54 -4.50 -0.11 0.00 1.23 0.00 0.00 39.78 36.93 1b1x n ASN 52 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1b1x n LYS 53 N -2.96 0.63 -2.90 1.20 0.00 -0.19 -4.98 118.16 108.96 1b1x n LYS 53 Ca -0.20 0.26 -0.08 0.00 0.00 0.00 0.00 58.31 58.29 1b1x n LYS 53 Cb 0.66 -1.80 -0.03 0.00 0.00 0.00 0.00 35.03 33.86 1b1x n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b1x n ALA 54 N -2.48 0.28 0.00 3.14 0.00 -1.18 -4.96 120.51 115.32 1b1x n ALA 54 Ca -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1b1x n ALA 54 Cb 0.95 0.64 0.00 0.00 0.00 0.00 0.00 19.45 21.04 1b1x n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b1x n ASP 55 N -2.45 1.21 -3.88 0.00 8.00 -0.51 -4.49 116.55 114.43 1b1x n ASP 55 Ca 0.03 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 1b1x n ASP 55 Cb 0.25 0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.42 1b1x n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b1x s ALA 56 N -0.98 -0.25 -0.23 2.24 0.00 -1.07 -4.45 121.76 117.02 1b1x s ALA 56 Ca 0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 1b1x s ALA 56 Cb 0.00 0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.43 1b1x s ALA 56 CO 0.00 -0.30 0.82 0.14 0.00 0.00 0.00 175.76 176.41 1b1x s VAL 57 N -2.24 0.00 0.02 0.00 -7.23 -1.23 -2.43 120.40 107.29 1b1x s VAL 57 Ca -0.08 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.87 1b1x s VAL 57 Cb -0.03 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 1b1x s VAL 57 CO -0.02 0.00 0.67 -0.89 -0.31 0.00 0.00 175.10 174.55 1b1x s THR 58 N -0.05 4.83 0.08 5.32 2.01 -1.26 -2.02 115.64 124.54 1b1x s THR 58 Ca -0.01 1.42 0.04 0.00 0.31 0.00 0.00 61.69 63.45 1b1x s THR 58 Cb -0.04 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1b1x s THR 58 CO 0.01 0.39 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.46 1b1x s LEU 59 N -0.13 2.32 0.51 4.42 1.43 0.30 -4.93 118.68 122.61 1b1x s LEU 59 Ca 0.34 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 1b1x s LEU 59 Cb -0.19 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.59 1b1x s LEU 59 CO 0.20 -0.17 1.00 -0.62 0.23 0.00 0.00 176.35 176.98 1b1x s ASP 60 N -1.99 6.50 0.33 2.29 2.15 -1.26 -0.12 116.67 124.57 1b1x s ASP 60 Ca -0.01 1.66 0.09 0.00 0.43 0.00 0.00 52.55 54.72 1b1x s ASP 60 Cb -0.07 -2.52 0.99 0.00 -0.30 0.00 0.00 42.92 41.02 1b1x s ASP 60 CO 0.01 -0.67 1.56 0.61 -0.17 0.00 0.00 175.17 176.51 1b1x n GLY 61 N -1.24 -1.11 0.35 2.66 0.00 -1.26 -0.48 105.19 104.10 1b1x n GLY 61 Ca 0.07 0.91 -0.01 0.00 0.00 0.00 0.00 46.02 46.99 1b1x n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b1x h GLY 62 N 0.00 1.10 1.80 -0.02 0.00 -1.91 -2.01 103.07 102.03 1b1x h GLY 62 Ca 0.70 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 47.47 1b1x h GLY 62 CO -0.87 0.44 -0.62 1.41 0.00 0.00 0.00 176.54 176.90 1b1x h LEU 63 N 1.04 0.00 -0.16 3.11 3.38 -0.97 -3.04 115.31 118.68 1b1x h LEU 63 Ca 0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1b1x h LEU 63 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1b1x h LEU 63 CO -0.05 0.45 -0.07 0.58 0.09 0.00 0.00 178.44 179.44 1b1x h VAL 64 N 0.00 0.77 -0.44 1.22 2.07 -0.65 0.48 116.25 119.69 1b1x h VAL 64 Ca -0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1b1x h VAL 64 Cb 1.37 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 1b1x h VAL 64 CO 0.05 0.00 -0.44 0.22 0.02 0.00 0.00 177.57 177.43 1b1x h TYR 65 N -0.05 -1.29 -0.30 1.57 3.20 -1.34 0.49 116.97 119.26 1b1x h TYR 65 Ca 0.09 0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1b1x h TYR 65 Cb 0.17 0.62 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1b1x h TYR 65 CO -0.21 -0.44 -0.06 0.93 -1.64 0.00 0.00 178.16 176.73 1b1x h GLU 66 N -0.31 0.49 -0.32 1.82 4.39 -1.23 -2.88 114.58 116.53 1b1x h GLU 66 Ca 0.14 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1b1x h GLU 66 Cb 0.58 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1b1x h GLU 66 CO -0.60 0.57 -0.11 0.00 -1.16 0.00 0.00 179.01 177.71 1b1x h ALA 67 N 1.47 1.21 0.00 3.43 0.00 0.20 -2.59 119.26 122.99 1b1x h ALA 67 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1b1x h ALA 67 Cb 0.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b1x h ALA 67 CO 0.02 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.56 1b1x h GLY 68 N 0.93 0.00 -2.33 0.00 0.00 -0.97 -1.96 103.07 98.74 1b1x h GLY 68 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.87 1b1x h GLY 68 CO 0.03 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.36 1b1x n LEU 69 N -2.51 1.59 -0.18 3.11 4.77 -0.98 -3.75 117.00 119.06 1b1x n LEU 69 Ca 0.04 0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 56.55 1b1x n LEU 69 Cb 0.40 -1.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 1b1x n LEU 69 CO 0.29 -2.82 0.36 1.57 -1.33 0.00 0.00 177.39 175.46 1b1x n HIS 70 N -2.66 -0.19 -0.23 -1.77 -0.00 -1.26 -1.43 115.22 107.68 1b1x n HIS 70 Ca 0.11 0.53 0.22 0.00 -0.00 0.00 0.00 57.72 58.58 1b1x n HIS 70 Cb 0.50 -0.48 0.58 0.00 -0.00 0.00 0.00 29.99 30.59 1b1x n HIS 70 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1b1x h PRO 71 N 0.00 0.27 0.05 1.57 0.13 -1.94 -3.19 132.00 128.90 1b1x h PRO 71 Ca 0.07 -0.02 -0.35 0.00 -0.87 0.00 0.00 66.00 64.84 1b1x h PRO 71 Cb 0.18 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.20 1b1x h PRO 71 CO -0.40 0.18 -1.94 0.66 -0.23 0.00 0.00 178.00 176.27 1b1x n TYR 72 N -4.45 0.77 -3.75 1.56 4.01 -0.89 -5.02 117.16 109.39 1b1x n TYR 72 Ca 0.20 0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.86 1b1x n TYR 72 Cb 0.80 -1.09 0.02 0.00 -0.31 0.00 0.00 39.34 38.76 1b1x n TYR 72 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1b1x n LYS 73 N -3.86 -1.05 -3.69 -0.72 4.76 -0.52 -4.81 118.16 108.28 1b1x n LYS 73 Ca -0.38 0.54 -0.20 0.00 -2.87 0.00 0.00 58.31 55.40 1b1x n LYS 73 Cb 0.90 -3.40 -0.01 0.00 -1.84 0.00 0.00 35.03 30.68 1b1x n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1b1x s LEU 74 N -6.10 4.13 0.02 -0.35 1.43 -0.76 -2.90 118.68 114.15 1b1x s LEU 74 Ca 0.31 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1b1x s LEU 74 Cb -0.14 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1b1x s LEU 74 CO 0.89 -0.27 -0.04 0.00 0.23 0.00 0.00 176.35 177.17 1b1x s ARG 75 N -4.10 0.31 -0.26 1.70 1.70 0.26 -4.08 118.95 114.48 1b1x s ARG 75 Ca 0.40 -0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 54.85 1b1x s ARG 75 Cb -0.09 -0.02 -0.01 0.00 -0.57 0.00 0.00 34.95 34.26 1b1x s ARG 75 CO 0.30 -0.01 1.48 -1.25 -1.08 0.00 0.00 175.30 174.74 1b1x s PRO 76 N -1.18 3.84 -0.17 3.89 0.04 -1.26 -0.69 135.00 139.47 1b1x s PRO 76 Ca -0.11 1.47 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 1b1x s PRO 76 Cb -0.08 -3.97 -0.21 0.00 0.04 0.00 0.00 34.50 30.28 1b1x s PRO 76 CO -0.01 -1.23 0.46 0.28 0.04 0.00 0.00 177.00 176.55 1b1x h VAL 77 N 6.08 1.27 -3.95 -0.36 2.07 0.56 -3.44 116.25 118.49 1b1x h VAL 77 Ca -0.30 -2.15 -0.37 0.00 0.82 0.00 0.00 66.70 64.70 1b1x h VAL 77 Cb 1.13 2.59 -0.29 0.00 -1.52 0.00 0.00 31.29 33.20 1b1x h VAL 77 CO 1.02 0.43 -0.77 0.00 0.02 0.00 0.00 177.57 178.27 1b1x s ALA 78 N -2.32 0.64 -0.18 1.67 0.00 -1.01 -0.39 121.76 120.16 1b1x s ALA 78 Ca -0.22 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1b1x s ALA 78 Cb 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1b1x s ALA 78 CO 0.59 0.14 0.06 0.00 0.00 0.00 0.00 175.76 176.56 1b1x s ALA 79 N -0.10 3.41 0.57 0.00 0.00 -0.72 0.14 121.76 125.06 1b1x s ALA 79 Ca 0.02 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 1b1x s ALA 79 Cb -0.04 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1b1x s ALA 79 CO -0.00 0.18 1.15 -1.21 0.00 0.00 0.00 175.76 175.87 1b1x s GLU 80 N 0.37 3.17 0.01 0.00 2.02 -1.02 -1.54 118.70 121.71 1b1x s GLU 80 Ca 0.03 1.64 0.04 0.00 0.02 0.00 0.00 54.97 56.70 1b1x s GLU 80 Cb -0.12 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1b1x s GLU 80 CO 0.00 -1.00 -0.10 0.08 0.02 0.00 0.00 175.26 174.26 1b1x s VAL 81 N -1.81 3.37 0.45 2.63 1.01 0.05 -4.55 120.40 121.56 1b1x s VAL 81 Ca 0.73 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1b1x s VAL 81 Cb -0.25 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1b1x s VAL 81 CO 0.30 0.39 0.10 -0.31 0.00 0.00 0.00 175.10 175.59 1b1x s TYR 82 N -0.96 1.79 0.00 5.22 2.02 0.16 -0.88 117.35 124.71 1b1x s TYR 82 Ca 0.16 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.63 1b1x s TYR 82 Cb -0.11 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 1b1x s TYR 82 CO 0.06 -0.18 0.36 0.00 -1.57 0.00 0.00 175.55 174.23 1b1x n GLN 83 N -1.04 0.00 -0.28 -0.62 10.64 -1.26 -1.66 117.38 123.15 1b1x n GLN 83 Ca -0.10 0.36 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 1b1x n GLN 83 Cb 0.65 -0.69 0.00 0.00 -0.86 0.00 0.00 30.24 29.35 1b1x n GLN 83 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1b1x n THR 84 N -1.05 0.00 -0.21 -0.39 -1.04 -1.26 -4.07 114.28 106.26 1b1x n THR 84 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1b1x n THR 84 Cb 0.00 -0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1b1x n THR 84 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1b1x n ARG 85 N -2.00 0.00 0.00 -2.82 0.63 -1.26 -4.35 116.66 106.86 1b1x n ARG 85 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1b1x n ARG 85 Cb 0.00 -3.91 0.00 0.00 0.45 0.00 0.00 32.46 29.00 1b1x n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1b1x n GLY 86 N -2.00 1.41 3.78 5.14 0.00 -1.26 -5.11 105.19 107.15 1b1x n GLY 86 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1b1x n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b1x s LYS 87 N 1.08 4.12 0.61 1.61 3.01 -1.26 -5.03 119.74 123.88 1b1x s LYS 87 Ca 0.00 0.37 -0.18 0.00 -1.01 0.00 0.00 55.97 55.15 1b1x s LYS 87 Cb 0.00 -3.33 -0.05 0.00 -1.01 0.00 0.00 37.83 33.44 1b1x s LYS 87 CO 0.00 0.43 0.89 -2.30 0.51 0.00 0.00 175.35 174.87 1b1x n PRO 88 N 2.77 0.79 -3.98 -1.68 -0.02 -1.26 -4.51 135.00 127.12 1b1x n PRO 88 Ca -0.11 0.31 -0.08 0.00 -2.02 0.00 0.00 63.50 61.60 1b1x n PRO 88 Cb 0.52 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 1b1x n PRO 88 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1b1x s GLN 89 N -2.69 0.74 -0.19 -0.52 -0.21 -0.67 -4.88 119.66 111.24 1b1x s GLN 89 Ca 0.75 -1.10 0.15 0.00 0.02 0.00 0.00 55.36 55.19 1b1x s GLN 89 Cb -0.41 0.28 0.69 0.00 1.00 0.00 0.00 33.01 34.57 1b1x s GLN 89 CO 0.48 -0.19 1.61 0.25 -2.12 0.00 0.00 175.29 175.31 1b1x n THR 90 N 0.02 2.41 -4.16 -0.19 -2.24 -1.26 0.41 114.28 109.27 1b1x n THR 90 Ca -0.14 -1.52 -0.10 0.00 -2.27 0.00 0.00 64.05 60.02 1b1x n THR 90 Cb 0.62 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 1b1x n THR 90 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1b1x s ARG 91 N -2.59 0.83 0.22 -0.78 1.81 -1.26 -0.17 118.95 117.01 1b1x s ARG 91 Ca 0.49 -1.35 -0.15 0.00 -1.72 0.00 0.00 55.73 53.00 1b1x s ARG 91 Cb 0.37 -0.04 0.01 0.00 -0.45 0.00 0.00 34.95 34.84 1b1x s ARG 91 CO 0.15 -0.09 0.49 1.52 -0.68 0.00 0.00 175.30 176.69 1b1x s TYR 92 N -3.76 0.10 -0.16 -0.53 1.13 0.00 -4.83 117.35 109.30 1b1x s TYR 92 Ca 0.14 -0.47 -0.07 0.00 -1.41 0.00 0.00 57.07 55.26 1b1x s TYR 92 Cb 0.06 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1b1x s TYR 92 CO -0.04 -0.95 0.09 0.71 -2.51 0.00 0.00 175.55 172.85 1b1x s TYR 93 N -3.94 3.35 0.03 -3.49 2.02 -1.26 0.92 117.35 114.98 1b1x s TYR 93 Ca 0.15 0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.88 1b1x s TYR 93 Cb -0.01 -2.04 -0.06 0.00 -0.40 0.00 0.00 41.96 39.46 1b1x s TYR 93 CO 0.02 0.34 0.61 0.00 -1.57 0.00 0.00 175.55 174.96 1b1x s ALA 94 N -0.07 3.50 0.19 3.71 0.00 0.20 -2.51 121.76 126.79 1b1x s ALA 94 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1b1x s ALA 94 Cb -0.12 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1b1x s ALA 94 CO 0.01 0.22 0.06 0.14 0.00 0.00 0.00 175.76 176.19 1b1x s VAL 95 N -0.47 0.43 -0.21 0.00 -7.23 0.08 -0.76 120.40 112.25 1b1x s VAL 95 Ca 0.31 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 1b1x s VAL 95 Cb -0.19 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1b1x s VAL 95 CO 0.19 -0.27 -0.16 0.00 -0.31 0.00 0.00 175.10 174.54 1b1x s ALA 96 N -3.84 2.43 -0.16 1.32 0.00 -1.26 -1.91 121.76 118.34 1b1x s ALA 96 Ca 0.30 -1.38 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1b1x s ALA 96 Cb 0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1b1x s ALA 96 CO 0.07 -0.60 0.02 0.08 0.00 0.00 0.00 175.76 175.33 1b1x s VAL 97 N 1.25 4.42 0.17 0.00 1.01 0.87 -1.74 120.40 126.38 1b1x s VAL 97 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1b1x s VAL 97 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1b1x s VAL 97 CO -0.10 0.50 0.02 0.68 0.00 0.00 0.00 175.10 176.20 1b1x s VAL 98 N 0.15 0.56 0.45 2.92 -7.23 -0.18 -0.00 120.40 117.06 1b1x s VAL 98 Ca 0.02 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 1b1x s VAL 98 Cb -0.13 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 1b1x s VAL 98 CO 0.01 -0.42 0.82 -0.54 -0.31 0.00 0.00 175.10 174.66 1b1x s LYS 99 N -3.95 3.74 0.34 4.82 1.02 -1.26 -0.32 119.74 124.12 1b1x s LYS 99 Ca 0.25 0.51 -0.27 0.00 0.02 0.00 0.00 55.97 56.48 1b1x s LYS 99 Cb 0.06 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.96 1b1x s LYS 99 CO 0.05 -0.15 1.06 0.15 -0.92 0.00 0.00 175.35 175.54 1b1x s LYS 100 N -4.16 4.41 0.00 1.68 1.02 -0.65 -3.73 119.74 118.31 1b1x s LYS 100 Ca 0.52 1.62 0.00 0.00 0.02 0.00 0.00 55.97 58.13 1b1x s LYS 100 Cb -0.10 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1b1x s LYS 100 CO 0.36 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 1b1x n GLY 101 N 0.76 0.47 0.04 -3.33 0.00 -1.26 -4.94 105.19 96.93 1b1x n GLY 101 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.21 1b1x n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b1x n SER 102 N 1.87 0.47 0.00 1.61 3.41 -1.24 -5.04 113.62 114.70 1b1x n SER 102 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1b1x n SER 102 Cb 0.42 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 1b1x n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b1x n GLY 103 N 1.58 1.86 3.64 5.00 0.00 -1.26 -5.01 105.19 111.00 1b1x n GLY 103 Ca -0.15 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1b1x n GLY 103 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1b1x n PHE 104 N 0.00 0.83 -3.80 1.61 -1.74 -1.26 -5.05 117.46 108.05 1b1x n PHE 104 Ca 0.00 0.39 -0.12 0.00 -0.56 0.00 0.00 57.45 57.15 1b1x n PHE 104 Cb 0.00 -2.06 -0.01 0.00 1.52 0.00 0.00 39.48 38.93 1b1x n PHE 104 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1b1x n GLN 105 N -2.83 1.19 -0.07 3.97 1.13 -1.26 -4.98 117.38 114.53 1b1x n GLN 105 Ca 0.13 -1.57 -0.00 0.00 -1.94 0.00 0.00 57.00 53.62 1b1x n GLN 105 Cb 0.51 0.22 0.28 0.00 0.11 0.00 0.00 30.24 31.36 1b1x n GLN 105 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1b1x h LEU 106 N 0.00 0.63 -0.19 1.08 5.85 -1.89 -2.09 115.31 118.70 1b1x h LEU 106 Ca -0.16 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1b1x h LEU 106 Cb 0.57 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1b1x h LEU 106 CO 0.26 0.59 0.00 -0.46 -0.34 0.00 0.00 178.44 178.49 1b1x n ASN 107 N -4.34 0.28 -0.26 1.25 6.94 -1.26 -3.63 115.26 114.24 1b1x n ASN 107 Ca 0.03 -1.82 0.07 0.00 -0.02 0.00 0.00 54.58 52.85 1b1x n ASN 107 Cb 0.17 -0.03 0.12 0.00 -2.36 0.00 0.00 39.78 37.68 1b1x n ASN 107 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b1x n GLN 108 N -0.43 1.03 0.20 -3.83 6.02 -0.78 -4.79 117.38 114.79 1b1x n GLN 108 Ca 0.06 -2.35 0.14 0.00 -0.01 0.00 0.00 57.00 54.85 1b1x n GLN 108 Cb 0.07 -1.27 0.60 0.00 1.02 0.00 0.00 30.24 30.66 1b1x n GLN 108 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1b1x h LEU 109 N 0.15 0.00 -8.96 1.08 3.38 -1.66 -3.45 115.31 105.85 1b1x h LEU 109 Ca -0.01 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.24 1b1x h LEU 109 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1b1x h LEU 109 CO 0.00 0.00 1.04 1.67 0.09 0.00 0.00 178.44 181.25 1b1x n GLN 110 N -2.61 1.12 -0.41 1.13 -0.06 -1.26 -0.31 117.38 114.97 1b1x n GLN 110 Ca 0.01 0.39 0.00 0.00 -2.00 0.00 0.00 57.00 55.40 1b1x n GLN 110 Cb 0.24 -2.17 0.00 0.00 -4.06 0.00 0.00 30.24 24.26 1b1x n GLN 110 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1b1x n GLY 111 N 4.88 0.72 3.86 1.69 0.00 0.15 -5.01 105.19 111.49 1b1x n GLY 111 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 1b1x n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b1x s VAL 112 N -2.84 4.68 -0.03 1.61 1.01 0.57 -4.16 120.40 121.24 1b1x s VAL 112 Ca 0.00 0.89 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 1b1x s VAL 112 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1b1x s VAL 112 CO 0.00 -0.77 0.52 -0.54 0.00 0.00 0.00 175.10 174.30 1b1x s LYS 113 N -4.35 4.24 0.02 2.72 1.02 -1.26 -1.63 119.74 120.50 1b1x s LYS 113 Ca 0.55 0.58 0.03 0.00 0.02 0.00 0.00 55.97 57.15 1b1x s LYS 113 Cb -0.10 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1b1x s LYS 113 CO 0.38 0.38 -0.09 -1.54 -0.92 0.00 0.00 175.35 173.56 1b1x s SER 114 N -0.17 1.08 -0.18 2.83 1.04 -0.83 -0.28 113.70 117.20 1b1x s SER 114 Ca 0.28 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.35 1b1x s SER 114 Cb -0.17 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1b1x s SER 114 CO 0.14 0.02 0.01 0.00 0.98 0.00 0.00 173.24 174.39 1b1x s HIS 116 N 0.53 2.35 0.28 0.00 3.76 0.47 -2.18 115.29 120.51 1b1x s HIS 116 Ca -0.00 -0.40 -0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1b1x s HIS 116 Cb -0.14 -1.40 0.40 0.00 1.11 0.00 0.00 32.58 32.55 1b1x s HIS 116 CO 0.02 0.14 1.91 1.79 -0.85 0.00 0.00 174.74 177.75 1b1x h THR 117 N 4.20 1.22 0.00 1.30 1.35 -1.75 -3.38 112.91 115.85 1b1x h THR 117 Ca -0.47 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1b1x h THR 117 Cb 1.14 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1b1x h THR 117 CO 0.44 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 1b1x n GLY 118 N -1.21 2.47 3.72 5.82 0.00 -1.26 -1.52 105.19 113.20 1b1x n GLY 118 Ca 0.08 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1b1x n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b1x s LEU 119 N 0.00 4.37 0.00 0.99 2.96 0.17 -3.01 118.68 124.16 1b1x s LEU 119 Ca 0.00 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.41 1b1x s LEU 119 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1b1x s LEU 119 CO 0.00 -0.76 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 1b1x n GLY 120 N 3.67 1.88 3.81 7.98 0.00 -1.26 -4.96 105.19 116.31 1b1x n GLY 120 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1b1x n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b1x s ARG 121 N -0.62 4.10 0.01 1.61 0.52 -1.16 -4.33 118.95 119.07 1b1x s ARG 121 Ca 0.00 1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 56.36 1b1x s ARG 121 Cb 0.00 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.30 1b1x s ARG 121 CO 0.00 -0.15 1.06 0.77 0.02 0.00 0.00 175.30 177.00 1b1x h SER 122 N 1.79 -0.21 0.58 0.23 0.02 -1.92 0.11 113.55 114.14 1b1x h SER 122 Ca -0.49 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.30 1b1x h SER 122 Cb 1.19 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1b1x h SER 122 CO 0.60 -0.05 -0.82 0.00 -1.14 0.00 0.00 176.83 175.42 1b1x h ALA 123 N -1.19 0.59 0.00 3.77 0.00 -1.92 0.25 119.26 120.76 1b1x h ALA 123 Ca 0.01 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1b1x h ALA 123 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b1x h ALA 123 CO -0.06 0.89 -0.43 0.78 0.00 0.00 0.00 179.25 180.43 1b1x h GLY 124 N 1.85 0.00 0.00 0.00 0.00 -1.68 -3.38 103.07 99.86 1b1x h GLY 124 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1b1x h GLY 124 CO 0.12 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.53 1b1x n TRP 125 N -2.35 -0.08 -0.33 5.60 -0.00 0.25 -4.28 117.44 116.24 1b1x n TRP 125 Ca 0.04 0.00 0.18 0.00 -0.00 0.00 0.00 57.50 57.71 1b1x n TRP 125 Cb 0.46 0.25 0.35 0.00 -0.00 0.00 0.00 31.31 32.37 1b1x n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1b1x h ASN 126 N 0.00 -0.24 0.01 5.87 4.21 -1.20 -1.49 115.58 122.74 1b1x h ASN 126 Ca 0.00 0.26 -0.00 0.00 1.21 0.00 0.00 56.30 57.77 1b1x h ASN 126 Cb 0.00 0.41 0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1b1x h ASN 126 CO 0.00 -0.34 -0.01 0.40 -1.29 0.00 0.00 177.43 176.19 1b1x h ILE 127 N 0.04 1.50 -0.26 2.81 1.08 -1.15 -3.00 117.51 118.53 1b1x h ILE 127 Ca 0.64 -1.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 1b1x h ILE 127 Cb 1.42 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.91 1b1x h ILE 127 CO -0.85 0.48 0.14 1.55 -0.69 0.00 0.00 178.15 178.78 1b1x h PRO 128 N -0.92 0.36 -0.97 2.37 0.13 -1.67 -2.54 132.00 128.76 1b1x h PRO 128 Ca -0.00 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1b1x h PRO 128 Cb 0.80 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1b1x h PRO 128 CO 0.00 0.33 0.64 0.82 -0.23 0.00 0.00 178.00 179.57 1b1x h ILE 129 N 0.30 1.24 0.00 -3.56 1.08 -1.46 -0.18 117.51 114.94 1b1x h ILE 129 Ca 0.09 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1b1x h ILE 129 Cb 0.08 -0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 33.64 1b1x h ILE 129 CO -0.01 0.24 -0.11 1.23 -0.69 0.00 0.00 178.15 178.80 1b1x h GLY 130 N 1.31 0.00 1.76 5.37 0.00 -1.43 -1.02 103.07 109.05 1b1x h GLY 130 Ca 0.36 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.45 1b1x h GLY 130 CO -0.08 0.00 -1.10 -0.84 0.00 0.00 0.00 176.54 174.51 1b1x h THR 131 N 0.00 1.56 -0.63 4.70 2.02 -0.63 -3.28 112.91 116.64 1b1x h THR 131 Ca -0.00 -3.07 0.00 0.00 0.77 0.00 0.00 66.41 64.11 1b1x h THR 131 Cb 0.61 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1b1x h THR 131 CO 0.01 0.89 0.00 0.18 0.37 0.00 0.00 175.52 176.97 1b1x n LEU 132 N -3.51 3.68 -0.25 2.58 4.77 -0.56 -4.41 117.00 119.30 1b1x n LEU 132 Ca -0.05 -1.78 -0.01 0.00 -0.03 0.00 0.00 56.01 54.14 1b1x n LEU 132 Cb 0.96 -0.42 0.11 0.00 -2.33 0.00 0.00 43.42 41.74 1b1x n LEU 132 CO 0.51 0.89 1.11 -0.09 -1.33 0.00 0.00 177.39 178.48 1b1x h ARG 133 N 4.18 0.72 0.00 3.23 2.43 -1.25 -0.60 114.38 123.08 1b1x h ARG 133 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1b1x h ARG 133 Cb 0.95 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1b1x h ARG 133 CO 0.00 0.48 0.08 -2.30 -1.51 0.00 0.00 179.97 176.72 1b1x n PRO 134 N -4.75 0.09 -0.00 0.20 -0.02 -1.26 -0.54 135.00 128.71 1b1x n PRO 134 Ca 0.09 0.57 0.03 0.00 -2.02 0.00 0.00 63.50 62.17 1b1x n PRO 134 Cb 0.18 -1.89 0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1b1x n PRO 134 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1b1x n TYR 135 N -2.00 0.01 0.08 6.00 4.02 -0.30 -4.64 117.16 120.32 1b1x n TYR 135 Ca -0.01 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.90 57.75 1b1x n TYR 135 Cb 0.10 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1b1x n TYR 135 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1b1x h LEU 136 N 1.05 0.33 -2.59 7.72 3.38 -0.12 -3.48 115.31 121.59 1b1x h LEU 136 Ca 0.00 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1b1x h LEU 136 Cb 0.24 -0.10 0.06 0.00 0.09 0.00 0.00 40.66 40.95 1b1x h LEU 136 CO 0.00 1.09 -0.41 0.59 0.09 0.00 0.00 178.44 179.80 1b1x n ASN 137 N -3.67 -7.02 -4.11 -0.43 5.03 -1.25 -4.93 115.26 98.89 1b1x n ASN 137 Ca -0.05 -0.40 -0.31 0.00 0.87 0.00 0.00 54.58 54.69 1b1x n ASN 137 Cb 0.83 -4.78 -0.17 0.00 -1.02 0.00 0.00 39.78 34.64 1b1x n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1b1x s TRP 138 N -3.14 2.36 0.32 3.10 -0.00 -1.26 -5.03 118.94 115.28 1b1x s TRP 138 Ca 0.16 -1.17 0.09 0.00 -0.00 0.00 0.00 56.10 55.19 1b1x s TRP 138 Cb -0.03 -1.64 0.90 0.00 -0.00 0.00 0.00 33.47 32.69 1b1x s TRP 138 CO 0.77 -0.56 1.71 1.15 -0.00 0.00 0.00 176.95 180.02 1b1x h THR 139 N 5.89 0.47 0.00 5.86 2.02 -1.95 -3.48 112.91 121.72 1b1x h THR 139 Ca -0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1b1x h THR 139 Cb 1.18 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1b1x h THR 139 CO 0.53 0.09 0.00 0.61 0.37 0.00 0.00 175.52 177.12 1b1x n GLY 140 N -1.31 0.55 0.19 2.16 0.00 -1.26 -4.63 105.19 100.89 1b1x n GLY 140 Ca 0.27 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 1b1x n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b1x n PRO 141 N -0.30 -0.13 -0.28 1.61 -0.04 -1.26 -2.45 135.00 132.15 1b1x n PRO 141 Ca 0.00 0.76 0.01 0.00 -0.04 0.00 0.00 63.50 64.22 1b1x n PRO 141 Cb 0.00 -1.12 0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1b1x n PRO 141 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1b1x h PRO 142 N 0.00 -0.03 -6.11 0.54 0.11 -1.96 -3.37 132.00 121.19 1b1x h PRO 142 Ca 0.16 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.70 1b1x h PRO 142 Cb 0.28 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.35 1b1x h PRO 142 CO -0.49 -0.02 0.56 -2.00 -0.21 0.00 0.00 178.00 175.84 1b1x s GLU 143 N -6.16 4.34 0.07 1.05 2.12 -1.03 -4.99 118.70 114.10 1b1x s GLU 143 Ca -0.14 1.25 -0.35 0.00 0.36 0.00 0.00 54.97 56.08 1b1x s GLU 143 Cb 0.21 -3.58 -0.14 0.00 0.26 0.00 0.00 34.13 30.88 1b1x s GLU 143 CO 0.74 -0.39 1.58 -2.30 -0.54 0.00 0.00 175.26 174.35 1b1x n PRO 144 N 5.38 1.83 -0.22 4.30 -0.02 -1.26 -4.65 135.00 140.36 1b1x n PRO 144 Ca 0.08 0.66 0.07 0.00 -2.02 0.00 0.00 63.50 62.30 1b1x n PRO 144 Cb 0.48 -2.41 0.34 0.00 -0.02 0.00 0.00 33.50 31.90 1b1x n PRO 144 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1b1x h LEU 145 N 6.25 0.69 -2.09 2.45 5.85 -1.91 0.18 115.31 126.74 1b1x h LEU 145 Ca -0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1b1x h LEU 145 Cb 1.28 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 1b1x h LEU 145 CO 0.88 0.43 -0.03 1.56 -0.34 0.00 0.00 178.44 180.93 1b1x h GLN 146 N 0.78 0.00 -0.10 1.25 4.20 -1.99 0.14 115.11 119.39 1b1x h GLN 146 Ca 0.35 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.94 1b1x h GLN 146 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1b1x h GLN 146 CO -0.13 0.03 -0.49 0.87 -0.67 0.00 0.00 178.83 178.44 1b1x h LYS 147 N 0.00 0.25 0.32 1.46 1.57 -1.00 -1.13 116.57 118.04 1b1x h LYS 147 Ca -0.00 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1b1x h LYS 147 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1b1x h LYS 147 CO 0.00 0.69 -0.16 0.00 -0.57 0.00 0.00 179.45 179.42 1b1x h ALA 148 N 1.29 -0.43 -0.93 3.86 0.00 -0.91 -3.00 119.26 119.14 1b1x h ALA 148 Ca 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1b1x h ALA 148 Cb 0.94 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1b1x h ALA 148 CO 0.08 -0.49 0.60 0.28 0.00 0.00 0.00 179.25 179.72 1b1x h VAL 149 N -0.94 1.11 -0.11 0.00 2.07 -1.20 -1.34 116.25 115.85 1b1x h VAL 149 Ca -0.04 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.11 1b1x h VAL 149 Cb 0.51 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1b1x h VAL 149 CO 0.07 0.21 0.07 0.00 0.02 0.00 0.00 177.57 177.94 1b1x h ALA 150 N 1.41 2.02 0.00 1.67 0.00 -1.28 -2.13 119.26 120.95 1b1x h ALA 150 Ca 0.39 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1b1x h ALA 150 Cb 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1b1x h ALA 150 CO -0.15 -0.03 -0.91 -0.91 0.00 0.00 0.00 179.25 177.24 1b1x h ASN 151 N 0.07 0.00 0.06 0.00 2.35 -1.11 -3.37 115.58 113.57 1b1x h ASN 151 Ca 0.05 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 1b1x h ASN 151 Cb 0.10 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1b1x h ASN 151 CO -0.01 0.54 -0.40 0.15 -1.65 0.00 0.00 177.43 176.07 1b1x h PHE 152 N 0.00 0.28 -3.11 1.19 3.57 -0.91 -3.46 116.94 114.51 1b1x h PHE 152 Ca -0.07 -0.20 -0.60 0.00 3.53 0.00 0.00 57.97 60.63 1b1x h PHE 152 Cb 1.48 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 40.13 1b1x h PHE 152 CO 0.00 1.13 -0.25 -0.06 -2.23 0.00 0.00 178.31 176.90 1b1x s PHE 153 N -2.46 3.61 0.56 0.41 0.08 -0.84 -0.68 117.98 118.65 1b1x s PHE 153 Ca -0.16 0.83 0.37 0.00 0.12 0.00 0.00 56.93 58.08 1b1x s PHE 153 Cb -0.01 -2.32 2.01 0.00 -0.57 0.00 0.00 43.02 42.13 1b1x s PHE 153 CO 0.76 0.46 2.26 0.66 -0.10 0.00 0.00 175.22 179.26 1b1x h SER 154 N 5.62 0.00 0.00 1.36 4.64 -1.47 -3.44 113.55 120.27 1b1x h SER 154 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1b1x h SER 154 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1b1x h SER 154 CO 0.67 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 1b1x n ALA 155 N -2.19 0.00 -3.19 5.18 0.00 -1.26 -5.01 120.51 114.05 1b1x n ALA 155 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1b1x n ALA 155 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1b1x n ALA 155 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b1x s SER 156 N 0.00 0.45 -0.36 0.00 0.01 0.98 -1.96 113.70 112.81 1b1x s SER 156 Ca 0.00 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1b1x s SER 156 Cb 0.00 0.69 0.11 0.00 0.21 0.00 0.00 66.02 67.03 1b1x s SER 156 CO 0.00 -1.35 0.15 0.00 0.41 0.00 0.00 173.24 172.45 1b1x s VAL 158 N 1.05 2.80 0.74 0.00 1.01 -0.24 -0.40 120.40 125.37 1b1x s VAL 158 Ca 0.13 -3.31 -0.15 0.00 0.00 0.00 0.00 61.98 58.64 1b1x s VAL 158 Cb -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1b1x s VAL 158 CO -0.13 -0.82 0.81 -2.65 0.00 0.00 0.00 175.10 172.30 1b1x n PRO 159 N 3.11 0.35 -0.94 2.72 -0.02 -1.26 -1.72 135.00 137.24 1b1x n PRO 159 Ca 0.06 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1b1x n PRO 159 Cb 0.33 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1b1x n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b1x s ALA 161 N -2.65 3.21 -1.24 0.00 0.00 -0.70 -4.78 121.76 115.60 1b1x s ALA 161 Ca 0.00 0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.79 1b1x s ALA 161 Cb 0.00 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 1b1x s ALA 161 CO 0.00 -0.02 1.84 -3.47 0.00 0.00 0.00 175.76 174.11 1b1x n ASP 162 N -1.18 4.07 0.05 0.00 -0.08 -1.26 -4.79 116.55 113.35 1b1x n ASP 162 Ca 0.04 -2.82 0.04 0.00 -1.51 0.00 0.00 54.79 50.54 1b1x n ASP 162 Cb 0.54 -1.72 0.18 0.00 2.34 0.00 0.00 41.12 42.46 1b1x n ASP 162 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b1x n GLY 163 N 5.47 -0.64 0.07 0.27 0.00 -1.26 0.19 105.19 109.28 1b1x n GLY 163 Ca 0.47 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 46.47 1b1x n GLY 163 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b1x h LYS 164 N 0.00 0.00 0.03 1.61 1.57 -1.96 -2.87 116.57 114.95 1b1x h LYS 164 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1b1x h LYS 164 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1b1x h LYS 164 CO 0.00 0.43 -0.98 1.96 -0.57 0.00 0.00 179.45 180.29 1b1x h GLN 165 N -1.00 0.12 -2.13 3.15 4.20 -1.93 -3.38 115.11 114.14 1b1x h GLN 165 Ca -0.04 -0.17 -0.56 0.00 0.06 0.00 0.00 58.65 57.93 1b1x h GLN 165 Cb 0.55 0.06 -0.41 0.00 0.30 0.00 0.00 27.48 27.98 1b1x h GLN 165 CO -0.03 1.00 -0.86 0.66 -0.67 0.00 0.00 178.83 178.94 1b1x n TYR 166 N -3.53 2.03 0.27 2.96 4.01 0.13 -4.96 117.16 118.08 1b1x n TYR 166 Ca -0.03 -3.90 0.18 0.00 -0.16 0.00 0.00 57.90 53.99 1b1x n TYR 166 Cb 0.89 -0.46 0.93 0.00 -0.31 0.00 0.00 39.34 40.39 1b1x n TYR 166 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1b1x h PRO 167 N 3.61 0.00 0.00 -0.72 0.13 -1.64 0.24 132.00 133.61 1b1x h PRO 167 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 1b1x h PRO 167 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1b1x h PRO 167 CO 0.67 0.00 -0.16 -0.97 -0.23 0.00 0.00 178.00 177.31 1b1x h ASN 168 N 0.00 0.00 1.49 1.44 -1.24 -1.91 0.32 115.58 115.68 1b1x h ASN 168 Ca 0.04 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1b1x h ASN 168 Cb 0.40 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1b1x h ASN 168 CO -0.00 0.16 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.14 1b1x h LEU 169 N 0.00 0.00 0.00 0.34 3.38 -1.18 0.28 115.31 118.13 1b1x h LEU 169 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b1x h LEU 169 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1b1x h LEU 169 CO 0.02 0.09 -0.96 0.00 0.09 0.00 0.00 178.44 177.68 1b1x h ARG 171 N 0.00 0.23 0.00 0.00 2.43 -0.18 0.52 114.38 117.38 1b1x h ARG 171 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1b1x h ARG 171 Cb 0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1b1x h ARG 171 CO 0.00 0.15 -0.11 1.28 -1.51 0.00 0.00 179.97 179.78 1b1x n LEU 172 N -5.13 0.19 -4.72 3.80 4.77 0.90 -4.87 117.00 111.94 1b1x n LEU 172 Ca 0.31 0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 56.28 1b1x n LEU 172 Cb 1.00 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1b1x n LEU 172 CO 0.07 0.00 1.12 0.00 -1.33 0.00 0.00 177.39 177.25 1b1x s ALA 174 N 1.13 3.62 -0.23 0.00 0.00 -1.26 -4.71 121.76 120.31 1b1x s ALA 174 Ca 0.66 -0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 1b1x s ALA 174 Cb -0.39 -2.39 0.16 0.00 0.00 0.00 0.00 23.12 20.50 1b1x s ALA 174 CO 0.31 0.21 1.24 0.20 0.00 0.00 0.00 175.76 177.71 1b1x s GLY 175 N 0.03 -0.08 0.00 0.00 0.00 -1.26 -3.66 107.32 102.35 1b1x s GLY 175 Ca 0.19 2.37 0.00 0.00 0.00 0.00 0.00 44.72 47.28 1b1x s GLY 175 CO 0.07 0.97 0.00 -1.30 0.00 0.00 0.00 173.10 172.84 1b1x n THR 176 N 0.45 0.00 0.00 0.90 -2.24 -1.26 -4.04 114.28 108.08 1b1x n THR 176 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1b1x n THR 176 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1b1x n THR 176 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b1x n GLU 177 N 0.00 0.00 0.00 -0.78 -0.58 -1.26 -2.60 120.64 115.42 1b1x n GLU 177 Ca 0.00 0.13 0.14 0.00 -0.42 0.00 0.00 57.16 57.01 1b1x n GLU 177 Cb 0.00 -0.88 0.52 0.00 -0.57 0.00 0.00 31.44 30.51 1b1x n GLU 177 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b1x n ALA 178 N -1.22 2.57 -0.01 0.62 0.00 -1.26 -3.69 120.51 117.52 1b1x n ALA 178 Ca 0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 1b1x n ALA 178 Cb 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.30 1b1x n ALA 178 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b1x h ASP 179 N 2.38 0.73 -1.38 0.00 5.19 -1.86 -3.44 116.42 118.04 1b1x h ASP 179 Ca 0.00 -0.42 -0.72 0.00 -0.62 0.00 0.00 57.03 55.27 1b1x h ASP 179 Cb 0.51 -0.21 0.06 0.00 0.18 0.00 0.00 39.33 39.86 1b1x h ASP 179 CO 0.00 1.17 0.21 1.17 -3.12 0.00 0.00 179.24 178.67 1b1x n LYS 180 N -3.95 0.59 -1.60 3.56 4.81 -1.07 -0.84 118.16 119.67 1b1x n LYS 180 Ca -0.04 0.21 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 1b1x n LYS 180 Cb 0.65 -1.74 -0.08 0.00 0.02 0.00 0.00 35.03 33.88 1b1x n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1b1x s ALA 182 N -2.72 2.11 -0.43 0.00 0.00 -0.02 -2.83 121.76 117.88 1b1x s ALA 182 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1b1x s ALA 182 Cb 0.00 -3.44 0.40 0.00 0.00 0.00 0.00 23.12 20.08 1b1x s ALA 182 CO 0.00 -1.88 1.89 0.00 0.00 0.00 0.00 175.76 175.77 1b1x s SER 184 N -0.81 0.29 0.00 0.00 1.04 -1.26 -4.48 113.70 108.48 1b1x s SER 184 Ca 0.46 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1b1x s SER 184 Cb 0.37 0.73 0.00 0.00 0.10 0.00 0.00 66.02 67.22 1b1x s SER 184 CO 0.03 -1.43 0.35 -1.54 0.98 0.00 0.00 173.24 171.63 1b1x n SER 185 N -1.15 0.00 -0.04 7.02 3.41 -1.26 -1.86 113.62 119.74 1b1x n SER 185 Ca -0.03 -0.70 -0.14 0.00 -0.26 0.00 0.00 58.87 57.73 1b1x n SER 185 Cb 0.61 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1b1x n SER 185 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1b1x h GLN 186 N 0.01 0.77 -6.27 4.33 1.08 -1.91 -3.38 115.11 109.74 1b1x h GLN 186 Ca 0.00 -0.52 -0.59 0.00 -1.45 0.00 0.00 58.65 56.09 1b1x h GLN 186 Cb 0.00 0.07 -0.10 0.00 -0.05 0.00 0.00 27.48 27.41 1b1x h GLN 186 CO 0.00 1.14 0.67 -2.00 -0.95 0.00 0.00 178.83 177.69 1b1x s GLU 187 N -4.01 3.62 0.41 1.46 2.56 -0.78 -4.80 118.70 117.16 1b1x s GLU 187 Ca -0.10 0.32 0.23 0.00 0.00 0.00 0.00 54.97 55.42 1b1x s GLU 187 Cb 0.10 -3.90 1.25 0.00 2.00 0.00 0.00 34.13 33.58 1b1x s GLU 187 CO 0.88 -1.22 1.67 -1.35 -0.56 0.00 0.00 175.26 174.68 1b1x h PRO 188 N 9.02 0.00 -0.64 4.30 0.11 -1.74 -2.11 132.00 140.94 1b1x h PRO 188 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1b1x h PRO 188 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1b1x h PRO 188 CO 1.04 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.49 1b1x n TYR 189 N -2.38 1.12 -3.24 0.65 4.01 -1.26 -4.43 117.16 111.64 1b1x n TYR 189 Ca -0.02 -0.48 -0.39 0.00 -0.16 0.00 0.00 57.90 56.86 1b1x n TYR 189 Cb 0.17 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 1b1x n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1b1x s PHE 190 N -1.55 3.72 0.00 -0.72 2.19 -0.80 -2.53 117.98 118.29 1b1x s PHE 190 Ca 0.44 1.21 0.00 0.00 0.33 0.00 0.00 56.93 58.90 1b1x s PHE 190 Cb 0.26 -2.56 0.00 0.00 -1.31 0.00 0.00 43.02 39.41 1b1x s PHE 190 CO 0.24 0.43 0.00 0.41 1.83 0.00 0.00 175.22 178.13 1b1x n GLY 191 N 2.22 0.09 0.19 13.12 0.00 -0.57 -3.28 105.19 116.96 1b1x n GLY 191 Ca -0.08 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.01 1b1x n GLY 191 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1b1x h TYR 192 N 0.00 -0.02 -0.11 1.61 0.05 -1.92 0.97 116.97 117.55 1b1x h TYR 192 Ca 0.00 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.66 1b1x h TYR 192 Cb 0.00 0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1b1x h TYR 192 CO 0.00 -0.09 -0.59 0.77 -1.05 0.00 0.00 178.16 177.19 1b1x h SER 193 N 0.12 0.40 0.01 3.88 0.02 -1.95 -2.50 113.55 113.53 1b1x h SER 193 Ca 0.23 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b1x h SER 193 Cb 0.34 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1b1x h SER 193 CO -0.38 0.90 -0.01 1.23 -1.14 0.00 0.00 176.83 177.44 1b1x h GLY 194 N 1.31 -0.02 1.43 -3.77 0.00 -1.25 -1.07 103.07 99.70 1b1x h GLY 194 Ca -0.00 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1b1x h GLY 194 CO 0.10 -0.01 0.23 0.00 0.00 0.00 0.00 176.54 176.86 1b1x h ALA 195 N 0.69 2.16 -0.05 3.60 0.00 -0.56 -0.40 119.26 124.70 1b1x h ALA 195 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1b1x h ALA 195 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b1x h ALA 195 CO 0.00 -0.24 -0.04 0.35 0.00 0.00 0.00 179.25 179.32 1b1x h PHE 196 N 0.11 0.13 -0.86 0.00 3.57 -0.89 -2.73 116.94 116.28 1b1x h PHE 196 Ca 0.15 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1b1x h PHE 196 Cb 0.45 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1b1x h PHE 196 CO -0.00 0.56 0.53 0.87 -2.23 0.00 0.00 178.31 178.04 1b1x h LYS 197 N -0.33 1.16 -0.60 1.11 6.56 -0.77 0.17 116.57 123.88 1b1x h LYS 197 Ca 0.01 -0.10 0.12 0.00 -1.06 0.00 0.00 60.65 59.63 1b1x h LYS 197 Cb 0.54 -0.25 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 1b1x h LYS 197 CO 0.01 0.81 0.41 0.00 -2.06 0.00 0.00 179.45 178.61 1b1x h LEU 199 N 0.27 -0.16 -2.06 0.00 5.85 -0.79 -1.29 115.31 117.12 1b1x h LEU 199 Ca 0.28 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.10 1b1x h LEU 199 Cb 0.74 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1b1x h LEU 199 CO -0.06 0.14 0.35 -0.08 -0.34 0.00 0.00 178.44 178.46 1b1x h GLU 200 N -0.71 0.00 -0.25 1.25 4.81 -0.25 0.10 114.58 119.53 1b1x h GLU 200 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1b1x h GLU 200 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1b1x h GLU 200 CO 0.03 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.40 1b1x n ASN 201 N -3.76 1.54 -0.71 1.04 5.03 0.12 -4.91 115.26 113.61 1b1x n ASN 201 Ca 0.05 -1.88 -0.09 0.00 0.87 0.00 0.00 54.58 53.53 1b1x n ASN 201 Cb 0.51 -0.16 -0.04 0.00 -1.02 0.00 0.00 39.78 39.07 1b1x n ASN 201 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1b1x n GLY 202 N 1.01 1.07 0.13 7.41 0.00 0.36 -4.89 105.19 110.28 1b1x n GLY 202 Ca 0.12 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1b1x n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b1x h ALA 203 N 0.00 0.03 -2.02 4.61 0.00 -1.50 -3.47 119.26 116.90 1b1x h ALA 203 Ca -0.19 -0.86 -0.48 0.00 0.00 0.00 0.00 54.91 53.38 1b1x h ALA 203 Cb 0.69 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 1b1x h ALA 203 CO 0.28 0.86 -0.61 0.20 0.00 0.00 0.00 179.25 179.98 1b1x s GLY 204 N -4.61 2.07 -0.02 0.00 0.00 -0.56 -4.84 107.32 99.35 1b1x s GLY 204 Ca -0.06 -2.06 0.16 0.00 0.00 0.00 0.00 44.72 42.77 1b1x s GLY 204 CO 0.91 -1.83 0.38 1.22 0.00 0.00 0.00 173.10 173.78 1b1x n ASP 205 N -0.69 1.26 -3.86 1.64 8.00 0.62 -4.58 116.55 118.94 1b1x n ASP 205 Ca -0.03 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 1b1x n ASP 205 Cb 0.66 1.67 -0.13 0.00 -0.02 0.00 0.00 41.12 43.30 1b1x n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b1x s VAL 206 N -3.06 0.01 -0.08 2.53 0.11 -1.17 -4.33 120.40 114.40 1b1x s VAL 206 Ca -0.05 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1b1x s VAL 206 Cb 0.10 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.86 1b1x s VAL 206 CO 0.67 -0.03 -0.21 0.00 -3.33 0.00 0.00 175.10 172.20 1b1x s ALA 207 N -0.07 1.92 -0.43 1.54 0.00 0.99 -0.80 121.76 124.90 1b1x s ALA 207 Ca -0.01 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1b1x s ALA 207 Cb -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.44 1b1x s ALA 207 CO 0.00 0.26 0.32 -0.06 0.00 0.00 0.00 175.76 176.28 1b1x s PHE 208 N 0.35 3.25 0.00 0.00 0.08 -0.93 -0.09 117.98 120.64 1b1x s PHE 208 Ca -0.16 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.00 1b1x s PHE 208 Cb -0.17 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1b1x s PHE 208 CO 0.07 -0.72 0.00 1.33 -0.10 0.00 0.00 175.22 175.80 1b1x n VAL 209 N 5.13 0.00 -2.86 -0.44 0.24 -0.80 -3.99 118.33 115.60 1b1x n VAL 209 Ca -0.12 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.93 1b1x n VAL 209 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1b1x n VAL 209 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1b1x s LYS 210 N -0.91 3.38 0.54 7.34 2.20 -1.26 -0.74 119.74 130.29 1b1x s LYS 210 Ca 0.00 -0.07 0.28 0.00 -0.36 0.00 0.00 55.97 55.82 1b1x s LYS 210 Cb 0.00 -2.47 1.56 0.00 -1.51 0.00 0.00 37.83 35.41 1b1x s LYS 210 CO 0.00 -0.18 2.12 0.38 -0.36 0.00 0.00 175.35 177.32 1b1x h ASP 211 N 0.35 0.00 0.38 1.43 3.04 -1.85 -3.10 116.42 116.67 1b1x h ASP 211 Ca -0.47 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.00 1b1x h ASP 211 Cb 1.22 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.50 1b1x h ASP 211 CO 0.61 0.09 -1.66 0.77 -2.04 0.00 0.00 179.24 177.00 1b1x h SER 212 N 0.00 0.35 -0.54 4.15 4.64 -1.95 -3.41 113.55 116.79 1b1x h SER 212 Ca -0.00 -0.56 0.10 0.00 -0.47 0.00 0.00 61.79 60.85 1b1x h SER 212 Cb 0.25 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.13 1b1x h SER 212 CO 0.01 1.48 -0.17 0.41 -0.87 0.00 0.00 176.83 177.69 1b1x n THR 213 N -3.40 -0.26 -0.09 2.95 -1.04 -1.17 -0.09 114.28 111.18 1b1x n THR 213 Ca -0.20 1.26 -0.09 0.00 -2.04 0.00 0.00 64.05 62.98 1b1x n THR 213 Cb 1.05 -1.70 -0.01 0.00 -1.82 0.00 0.00 70.33 67.84 1b1x n THR 213 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1b1x h VAL 214 N 0.00 1.08 0.00 12.58 2.07 -1.79 -1.78 116.25 128.41 1b1x h VAL 214 Ca 0.22 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 1b1x h VAL 214 Cb 0.36 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1b1x h VAL 214 CO -0.55 0.08 -0.41 -0.26 0.02 0.00 0.00 177.57 176.45 1b1x h PHE 215 N 0.43 0.00 -0.06 1.57 -1.00 -0.73 0.20 116.94 117.35 1b1x h PHE 215 Ca 0.12 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.74 1b1x h PHE 215 Cb -0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 1b1x h PHE 215 CO -0.06 0.41 -0.65 0.93 -1.61 0.00 0.00 178.31 177.34 1b1x h GLU 216 N 0.00 0.24 0.00 1.51 5.08 -0.56 -3.31 114.58 117.54 1b1x h GLU 216 Ca -0.00 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 57.94 1b1x h GLU 216 Cb 0.85 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1b1x h GLU 216 CO 0.05 0.80 -1.75 0.09 -1.00 0.00 0.00 179.01 177.21 1b1x n ASN 217 N -3.84 0.62 -3.91 1.42 3.02 -0.71 -4.67 115.26 107.19 1b1x n ASN 217 Ca -0.03 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.51 1b1x n ASN 217 Cb 0.65 0.41 -0.13 0.00 -0.61 0.00 0.00 39.78 40.09 1b1x n ASN 217 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b1x s LEU 218 N -5.72 4.31 0.19 3.41 1.43 0.66 -4.92 118.68 118.05 1b1x s LEU 218 Ca -0.05 -3.23 0.18 0.00 -1.03 0.00 0.00 54.13 50.00 1b1x s LEU 218 Cb 0.08 -1.58 0.82 0.00 0.03 0.00 0.00 46.19 45.54 1b1x s LEU 218 CO 0.83 -0.19 1.54 -2.65 0.23 0.00 0.00 176.35 176.11 1b1x n PRO 219 N 2.81 0.11 -3.84 1.29 -0.02 -1.25 -4.53 135.00 129.58 1b1x n PRO 219 Ca 0.10 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 1b1x n PRO 219 Cb 0.33 -1.77 -0.13 0.00 -0.02 0.00 0.00 33.50 31.91 1b1x n PRO 219 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b1x s ASP 220 N -3.77 4.76 0.56 2.55 1.01 -1.26 -4.99 116.67 115.52 1b1x s ASP 220 Ca 0.02 -0.60 0.41 0.00 0.71 0.00 0.00 52.55 53.09 1b1x s ASP 220 Cb 0.07 -1.81 1.57 0.00 1.01 0.00 0.00 42.92 43.77 1b1x s ASP 220 CO 0.25 -0.12 1.67 -0.08 0.21 0.00 0.00 175.17 177.10 1b1x h GLU 221 N 8.16 0.00 -0.29 8.23 4.81 -2.00 0.53 114.58 134.02 1b1x h GLU 221 Ca -0.35 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.77 1b1x h GLU 221 Cb 1.14 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1b1x h GLU 221 CO 0.59 0.00 -0.28 0.00 -0.73 0.00 0.00 179.01 178.60 1b1x h ALA 222 N 1.16 0.98 -0.13 2.92 0.00 -1.95 -2.37 119.26 119.88 1b1x h ALA 222 Ca 0.70 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1b1x h ALA 222 Cb 2.90 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.57 1b1x h ALA 222 CO -0.01 0.60 -0.30 0.93 0.00 0.00 0.00 179.25 180.47 1b1x h GLU 223 N 0.50 0.43 0.00 0.00 4.39 -0.32 -3.19 114.58 116.40 1b1x h GLU 223 Ca 0.07 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 1b1x h GLU 223 Cb 0.74 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1b1x h GLU 223 CO 0.06 0.90 -0.02 0.00 -1.16 0.00 0.00 179.01 178.79 1b1x h ARG 224 N 0.02 0.00 0.00 2.33 3.08 -1.34 -2.05 114.38 116.42 1b1x h ARG 224 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b1x h ARG 224 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1b1x h ARG 224 CO 0.07 0.02 0.00 -0.25 -1.07 0.00 0.00 179.97 178.74 1b1x n ASP 225 N -4.50 0.00 -0.22 7.04 9.92 -0.91 -0.75 116.55 127.14 1b1x n ASP 225 Ca -0.03 0.32 0.15 0.00 -0.53 0.00 0.00 54.79 54.70 1b1x n ASP 225 Cb 0.11 -0.40 0.67 0.00 -0.64 0.00 0.00 41.12 40.86 1b1x n ASP 225 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1b1x n LYS 226 N -1.40 1.13 -4.40 -1.24 5.02 -0.77 -4.89 118.16 111.61 1b1x n LYS 226 Ca 0.04 -0.44 -0.21 0.00 -2.02 0.00 0.00 58.31 55.68 1b1x n LYS 226 Cb 0.11 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1b1x n LYS 226 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1b1x s TYR 227 N -2.17 1.99 0.28 2.13 1.51 0.07 -1.64 117.35 119.52 1b1x s TYR 227 Ca 0.37 -0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1b1x s TYR 227 Cb 0.21 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 1b1x s TYR 227 CO 0.40 0.53 0.37 -1.21 -1.11 0.00 0.00 175.55 174.52 1b1x s GLU 228 N -3.54 1.60 -0.03 -0.62 2.02 0.56 -4.24 118.70 114.45 1b1x s GLU 228 Ca 0.26 -1.59 0.07 0.00 0.02 0.00 0.00 54.97 53.72 1b1x s GLU 228 Cb -0.03 0.40 -0.01 0.00 0.10 0.00 0.00 34.13 34.58 1b1x s GLU 228 CO 0.11 -0.63 -0.23 -0.51 0.02 0.00 0.00 175.26 174.02 1b1x s LEU 229 N -3.16 2.03 -0.46 1.80 1.43 0.18 -1.01 118.68 119.50 1b1x s LEU 229 Ca 0.31 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.73 1b1x s LEU 229 Cb 0.02 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1b1x s LEU 229 CO 0.15 0.26 0.90 -0.76 0.23 0.00 0.00 176.35 177.14 1b1x s LEU 230 N -0.40 4.05 0.22 1.79 1.43 -0.71 -0.82 118.68 124.23 1b1x s LEU 230 Ca 0.05 0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 1b1x s LEU 230 Cb -0.10 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.88 1b1x s LEU 230 CO 0.00 -1.02 0.77 0.00 0.23 0.00 0.00 176.35 176.33 1b1x n PRO 232 N 0.92 0.00 -0.55 0.00 -0.04 -1.26 -0.34 135.00 133.73 1b1x n PRO 232 Ca -0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1b1x n PRO 232 Cb 0.50 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.72 1b1x n PRO 232 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1b1x n ASP 233 N -0.96 3.67 -3.81 3.54 5.75 -1.26 -4.98 116.55 118.51 1b1x n ASP 233 Ca 0.00 -3.18 -0.25 0.00 -0.01 0.00 0.00 54.79 51.35 1b1x n ASP 233 Cb 0.00 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.54 1b1x n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1b1x n ASN 234 N -0.62 -2.77 -4.37 -1.12 3.02 0.53 -4.99 115.26 104.95 1b1x n ASN 234 Ca 0.25 -0.81 -0.18 0.00 -0.03 0.00 0.00 54.58 53.81 1b1x n ASN 234 Cb 0.96 -3.95 -0.10 0.00 -0.61 0.00 0.00 39.78 36.08 1b1x n ASN 234 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1b1x s THR 235 N -3.52 0.88 -0.12 3.41 -4.23 -1.23 -4.87 115.64 105.96 1b1x s THR 235 Ca 0.30 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.83 1b1x s THR 235 Cb -0.15 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.06 1b1x s THR 235 CO 0.82 -0.06 -0.21 -0.13 -0.54 0.00 0.00 174.62 174.50 1b1x s ARG 236 N -3.95 2.85 0.22 3.99 0.52 -1.26 -0.94 118.95 120.38 1b1x s ARG 236 Ca 0.36 -0.80 0.10 0.00 -0.52 0.00 0.00 55.73 54.86 1b1x s ARG 236 Cb 0.08 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.25 1b1x s ARG 236 CO 0.13 0.06 -0.19 0.15 0.02 0.00 0.00 175.30 175.48 1b1x s LYS 237 N 0.63 1.47 0.80 3.54 1.02 0.00 -4.91 119.74 122.30 1b1x s LYS 237 Ca -0.12 -1.61 -0.14 0.00 0.02 0.00 0.00 55.97 54.12 1b1x s LYS 237 Cb -0.16 -1.50 0.08 0.00 -0.52 0.00 0.00 37.83 35.72 1b1x s LYS 237 CO 0.03 0.28 1.20 -0.35 -0.92 0.00 0.00 175.35 175.59 1b1x n PRO 238 N -0.23 0.23 0.23 -1.68 -0.04 -1.26 0.50 135.00 132.75 1b1x n PRO 238 Ca -0.09 0.15 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 1b1x n PRO 238 Cb 0.59 -2.43 0.87 0.00 -0.04 0.00 0.00 33.50 32.48 1b1x n PRO 238 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1b1x h VAL 239 N -0.83 0.31 -0.00 0.52 -1.51 -1.88 -0.47 116.25 112.40 1b1x h VAL 239 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1b1x h VAL 239 Cb 1.30 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1b1x h VAL 239 CO 0.46 0.00 -0.02 -0.90 -1.23 0.00 0.00 177.57 175.88 1b1x n ASP 240 N -3.53 0.48 -1.81 4.19 5.68 -1.26 -3.78 116.55 116.52 1b1x n ASP 240 Ca 0.01 -1.02 -0.01 0.00 -0.50 0.00 0.00 54.79 53.27 1b1x n ASP 240 Cb 0.33 -0.03 0.30 0.00 -1.14 0.00 0.00 41.12 40.58 1b1x n ASP 240 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b1x n ALA 241 N -0.69 4.12 0.09 2.12 0.00 -0.18 -4.58 120.51 121.38 1b1x n ALA 241 Ca 0.21 -1.89 0.20 0.00 0.00 0.00 0.00 53.44 51.96 1b1x n ALA 241 Cb 0.21 -1.19 0.75 0.00 0.00 0.00 0.00 19.45 19.22 1b1x n ALA 241 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1b1x h PHE 242 N 2.73 0.00 -0.11 0.00 -0.00 -1.76 0.35 116.94 118.15 1b1x h PHE 242 Ca 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.08 1b1x h PHE 242 Cb 2.02 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.96 1b1x h PHE 242 CO 1.07 0.00 -0.13 0.87 -0.00 0.00 0.00 178.31 180.12 1b1x h LYS 243 N 0.00 0.18 0.00 6.09 1.57 -1.93 -2.96 116.57 119.51 1b1x h LYS 243 Ca 0.20 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.63 1b1x h LYS 243 Cb 1.06 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 1b1x h LYS 243 CO -0.00 0.31 -2.21 0.39 -0.57 0.00 0.00 179.45 177.37 1b1x n GLU 244 N -4.30 1.04 -3.29 3.15 4.71 0.67 -4.76 120.64 117.85 1b1x n GLU 244 Ca -0.01 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.81 1b1x n GLU 244 Cb 0.25 -1.46 -0.05 0.00 -1.01 0.00 0.00 31.44 29.17 1b1x n GLU 244 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1b1x s HIS 246 N -2.62 1.33 -0.15 0.00 -3.43 -1.21 -4.56 115.29 104.66 1b1x s HIS 246 Ca 0.38 -0.62 0.15 0.00 -0.80 0.00 0.00 55.06 54.17 1b1x s HIS 246 Cb 0.13 -0.69 0.02 0.00 -1.43 0.00 0.00 32.58 30.61 1b1x s HIS 246 CO 0.02 0.12 1.32 -0.07 -2.00 0.00 0.00 174.74 174.13 1b1x h LEU 247 N 3.28 0.00 -7.44 5.38 3.38 -1.27 -3.40 115.31 115.24 1b1x h LEU 247 Ca -0.38 0.00 0.32 0.00 0.09 0.00 0.00 57.88 57.90 1b1x h LEU 247 Cb 1.20 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.84 1b1x h LEU 247 CO 0.55 0.52 0.82 0.00 0.09 0.00 0.00 178.44 180.41 1b1x s ALA 248 N -2.96 -2.23 -0.29 1.53 0.00 -1.21 -4.99 121.76 111.61 1b1x s ALA 248 Ca 0.03 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1b1x s ALA 248 Cb 0.08 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.78 1b1x s ALA 248 CO 0.76 -1.08 -0.02 0.50 0.00 0.00 0.00 175.76 175.92 1b1x s ARG 249 N -2.36 1.69 0.24 0.00 3.52 -1.26 0.60 118.95 121.38 1b1x s ARG 249 Ca 0.18 -1.44 0.06 0.00 -0.13 0.00 0.00 55.73 54.39 1b1x s ARG 249 Cb 0.03 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1b1x s ARG 249 CO -0.02 -0.75 0.30 0.14 -0.81 0.00 0.00 175.30 174.16 1b1x s VAL 250 N 1.14 4.98 0.51 7.11 -7.23 0.26 -4.86 120.40 122.30 1b1x s VAL 250 Ca 0.01 -1.12 -0.19 0.00 -1.81 0.00 0.00 61.98 58.87 1b1x s VAL 250 Cb -0.19 -3.70 -0.07 0.00 0.56 0.00 0.00 36.38 32.98 1b1x s VAL 250 CO -0.08 -0.33 1.02 -2.16 -0.31 0.00 0.00 175.10 173.24 1b1x s PRO 251 N -3.90 3.75 0.96 4.82 0.04 -1.26 -0.82 135.00 138.59 1b1x s PRO 251 Ca 0.34 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 1b1x s PRO 251 Cb -0.09 -2.10 0.17 0.00 0.04 0.00 0.00 34.50 32.53 1b1x s PRO 251 CO 0.28 -0.46 1.09 -1.54 0.04 0.00 0.00 177.00 176.41 1b1x s SER 252 N -2.38 2.70 0.95 6.66 1.04 0.76 -4.37 113.70 119.06 1b1x s SER 252 Ca 0.64 1.76 -0.11 0.00 0.48 0.00 0.00 55.95 58.72 1b1x s SER 252 Cb -0.14 -2.37 0.17 0.00 0.10 0.00 0.00 66.02 63.77 1b1x s SER 252 CO 0.25 -3.17 1.10 -1.00 0.98 0.00 0.00 173.24 171.40 1b1x s HIS 253 N -2.71 1.79 -0.00 5.02 3.76 -1.26 -4.29 115.29 117.59 1b1x s HIS 253 Ca 0.66 1.53 -0.21 0.00 -0.15 0.00 0.00 55.06 56.88 1b1x s HIS 253 Cb -0.21 -3.22 0.04 0.00 1.11 0.00 0.00 32.58 30.30 1b1x s HIS 253 CO 0.59 -2.88 0.47 0.00 -0.85 0.00 0.00 174.74 172.08 1b1x s ALA 254 N -2.68 -1.20 -0.17 -1.40 0.00 0.82 -2.45 121.76 114.68 1b1x s ALA 254 Ca 0.66 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 1b1x s ALA 254 Cb -0.22 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1b1x s ALA 254 CO 0.59 -0.37 0.82 0.08 0.00 0.00 0.00 175.76 176.88 1b1x s VAL 255 N -1.71 4.89 0.16 0.00 1.01 0.12 -0.54 120.40 124.33 1b1x s VAL 255 Ca -0.10 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.54 1b1x s VAL 255 Cb -0.02 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1b1x s VAL 255 CO 0.04 0.03 0.03 0.68 0.00 0.00 0.00 175.10 175.88 1b1x s VAL 256 N 2.13 3.97 0.18 2.92 -7.23 -0.86 0.12 120.40 121.63 1b1x s VAL 256 Ca 0.38 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 59.20 1b1x s VAL 256 Cb -0.16 -2.99 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 1b1x s VAL 256 CO 0.12 -0.07 0.29 0.00 -0.31 0.00 0.00 175.10 175.13 1b1x s ALA 257 N -1.66 0.11 0.67 1.32 0.00 0.13 -3.54 121.76 118.79 1b1x s ALA 257 Ca 0.28 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 1b1x s ALA 257 Cb -0.10 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1b1x s ALA 257 CO 0.20 -0.67 1.27 1.03 0.00 0.00 0.00 175.76 177.59 1b1x s ARG 258 N -4.00 2.44 0.22 0.00 0.52 -1.26 -0.58 118.95 116.29 1b1x s ARG 258 Ca 0.20 2.00 0.05 0.00 -0.52 0.00 0.00 55.73 57.46 1b1x s ARG 258 Cb 0.03 -1.84 0.18 0.00 0.52 0.00 0.00 34.95 33.84 1b1x s ARG 258 CO 0.03 -1.67 1.51 0.77 0.02 0.00 0.00 175.30 175.95 1b1x h SER 259 N 0.34 0.20 -3.29 0.23 0.02 -1.84 -3.31 113.55 105.89 1b1x h SER 259 Ca -0.50 -0.13 -0.64 0.00 -0.84 0.00 0.00 61.79 59.68 1b1x h SER 259 Cb 1.33 -0.06 -0.34 0.00 0.14 0.00 0.00 62.40 63.47 1b1x h SER 259 CO 0.52 0.84 -0.86 -0.69 -1.14 0.00 0.00 176.83 175.50 1b1x s VAL 260 N -3.52 1.82 -1.27 2.27 1.01 -1.26 -4.72 120.40 114.73 1b1x s VAL 260 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1b1x s VAL 260 Cb 0.11 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1b1x s VAL 260 CO 0.80 0.51 1.05 0.47 0.00 0.00 0.00 175.10 177.93 1b1x n ASP 261 N 3.89 -3.66 -0.24 3.32 9.92 -1.26 -4.92 116.55 123.60 1b1x n ASP 261 Ca -0.20 -0.60 0.12 0.00 -0.53 0.00 0.00 54.79 53.58 1b1x n ASP 261 Cb 0.52 -5.02 0.24 0.00 -0.64 0.00 0.00 41.12 36.22 1b1x n ASP 261 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b1x n GLY 262 N -1.49 -0.60 3.10 0.44 0.00 -1.25 -4.87 105.19 100.53 1b1x n GLY 262 Ca -0.17 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 1b1x n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b1x n ARG 263 N -0.71 -5.95 -0.24 1.61 1.74 -1.26 -4.54 116.66 107.31 1b1x n ARG 263 Ca 0.10 0.70 0.09 0.00 -0.77 0.00 0.00 57.85 57.97 1b1x n ARG 263 Cb 0.37 -5.30 0.35 0.00 -1.02 0.00 0.00 32.46 26.86 1b1x n ARG 263 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1b1x h GLU 264 N -1.84 0.73 -0.72 5.56 5.08 -1.93 -1.22 114.58 120.24 1b1x h GLU 264 Ca -0.48 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1b1x h GLU 264 Cb 1.29 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1b1x h GLU 264 CO 0.43 0.49 0.21 0.38 -1.00 0.00 0.00 179.01 179.52 1b1x h ASP 265 N 0.76 1.06 -0.13 1.42 3.04 -1.99 0.46 116.42 121.04 1b1x h ASP 265 Ca 0.39 -0.21 -0.01 0.00 -3.24 0.00 0.00 57.03 53.96 1b1x h ASP 265 Cb 0.48 -0.28 -0.01 0.00 -1.04 0.00 0.00 39.33 38.49 1b1x h ASP 265 CO -0.16 1.00 0.04 -0.07 -2.04 0.00 0.00 179.24 178.00 1b1x h LEU 266 N 1.08 0.19 -0.54 0.15 4.07 -1.62 -1.52 115.31 117.12 1b1x h LEU 266 Ca 0.23 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1b1x h LEU 266 Cb 0.33 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1b1x h LEU 266 CO -0.00 0.36 0.35 0.40 -1.08 0.00 0.00 178.44 178.47 1b1x h ILE 267 N 0.01 1.12 -0.37 1.22 2.04 -1.22 -1.70 117.51 118.62 1b1x h ILE 267 Ca 0.04 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 1b1x h ILE 267 Cb 0.24 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1b1x h ILE 267 CO -0.00 0.13 -0.24 -0.25 0.00 0.00 0.00 178.15 177.79 1b1x h TRP 268 N 0.71 0.83 -0.62 1.37 2.91 -0.79 -1.50 115.95 118.86 1b1x h TRP 268 Ca 0.20 -0.19 -0.05 0.00 1.13 0.00 0.00 58.89 59.98 1b1x h TRP 268 Cb -0.06 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.37 1b1x h TRP 268 CO -0.04 0.90 0.18 0.87 -1.03 0.00 0.00 178.44 179.31 1b1x h LYS 269 N 0.64 0.97 0.62 2.65 1.57 -1.05 0.17 116.57 122.14 1b1x h LYS 269 Ca 0.09 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1b1x h LYS 269 Cb 0.74 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1b1x h LYS 269 CO 0.06 0.87 -0.36 1.25 -0.57 0.00 0.00 179.45 180.70 1b1x h LEU 270 N 0.89 -0.89 -1.08 2.94 5.85 -1.03 -0.33 115.31 121.66 1b1x h LEU 270 Ca 0.20 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1b1x h LEU 270 Cb 0.31 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1b1x h LEU 270 CO -0.00 -0.57 0.31 -0.07 -0.34 0.00 0.00 178.44 177.77 1b1x h LEU 271 N -0.92 0.87 -0.86 2.25 3.38 -1.19 0.12 115.31 118.96 1b1x h LEU 271 Ca -0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1b1x h LEU 271 Cb 0.74 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1b1x h LEU 271 CO 0.09 0.75 0.22 -0.74 0.09 0.00 0.00 178.44 178.85 1b1x h HIS 272 N 0.96 1.09 -0.43 1.13 2.76 -0.35 -2.05 115.15 118.26 1b1x h HIS 272 Ca 0.23 -0.10 -0.12 0.00 -2.20 0.00 0.00 60.37 58.19 1b1x h HIS 272 Cb 0.12 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1b1x h HIS 272 CO 0.01 0.87 -0.19 0.00 -1.30 0.00 0.00 177.93 177.32 1b1x h ARG 273 N 1.02 0.88 -0.33 5.26 2.47 0.07 -3.18 114.38 120.58 1b1x h ARG 273 Ca 0.23 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1b1x h ARG 273 Cb 0.28 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1b1x h ARG 273 CO -0.01 1.02 0.22 0.00 0.56 0.00 0.00 179.97 181.76 1b1x h ALA 274 N 0.83 0.42 0.31 0.04 0.00 -0.45 -1.08 119.26 119.33 1b1x h ALA 274 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1b1x h ALA 274 Cb 0.75 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1b1x h ALA 274 CO 0.06 -0.12 -0.19 1.96 0.00 0.00 0.00 179.25 180.95 1b1x h GLN 275 N 0.44 -0.46 -0.87 0.00 4.20 -1.40 0.49 115.11 117.51 1b1x h GLN 275 Ca 0.12 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.98 1b1x h GLN 275 Cb -0.05 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 1b1x h GLN 275 CO -0.03 -0.31 0.50 1.49 -0.67 0.00 0.00 178.83 179.81 1b1x h GLU 276 N -0.48 0.75 0.07 1.46 4.81 -1.54 0.24 114.58 119.89 1b1x h GLU 276 Ca -0.03 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.83 1b1x h GLU 276 Cb 0.40 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1b1x h GLU 276 CO 0.03 0.50 -1.80 1.49 -0.73 0.00 0.00 179.01 178.50 1b1x h GLU 277 N 0.78 0.15 0.00 1.92 4.57 -0.99 -3.43 114.58 117.58 1b1x h GLU 277 Ca 0.44 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1b1x h GLU 277 Cb 0.49 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1b1x h GLU 277 CO -0.29 0.89 -0.14 1.19 -1.18 0.00 0.00 179.01 179.49 1b1x n PHE 278 N -3.29 0.00 0.00 0.92 3.72 0.17 -3.31 117.46 115.67 1b1x n PHE 278 Ca -0.23 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 1b1x n PHE 278 Cb 1.05 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 1b1x n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b1x n GLY 279 N -0.22 -0.34 3.49 1.37 0.00 0.83 -1.11 105.19 109.21 1b1x n GLY 279 Ca 0.02 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1b1x n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b1x n ARG 280 N 0.00 0.63 -1.30 1.61 5.12 -1.26 -3.16 116.66 118.30 1b1x n ARG 280 Ca 0.00 0.08 -0.05 0.00 -1.93 0.00 0.00 57.85 55.95 1b1x n ARG 280 Cb 0.00 -2.39 -0.02 0.00 -1.16 0.00 0.00 32.46 28.89 1b1x n ARG 280 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1b1x n ASN 281 N 11.89 -1.44 0.33 0.55 5.15 -1.26 -4.81 115.26 125.67 1b1x n ASN 281 Ca 0.49 0.15 -0.13 0.00 -0.60 0.00 0.00 54.58 54.50 1b1x n ASN 281 Cb 0.25 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 37.82 1b1x n ASN 281 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1b1x h LYS 282 N 0.00 -0.83 0.00 1.20 1.79 -1.82 -3.46 116.57 113.45 1b1x h LYS 282 Ca -0.11 0.06 -0.41 0.00 -2.18 0.00 0.00 60.65 58.01 1b1x h LYS 282 Cb 0.42 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 1b1x h LYS 282 CO 0.15 -0.55 -0.15 0.45 -1.08 0.00 0.00 179.45 178.27 1b1x n SER 283 N -4.65 2.08 0.00 0.86 2.88 -1.21 -5.00 113.62 108.58 1b1x n SER 283 Ca -0.11 -2.33 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 1b1x n SER 283 Cb 0.34 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1b1x n SER 283 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1b1x n SER 284 N -2.08 1.75 0.22 -3.46 3.41 -1.26 -4.78 113.62 107.41 1b1x n SER 284 Ca 0.03 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.70 1b1x n SER 284 Cb 0.46 0.30 0.52 0.00 -0.26 0.00 0.00 64.21 65.24 1b1x n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b1x h ALA 285 N 0.00 1.75 -1.78 7.33 0.00 -1.96 -3.43 119.26 121.16 1b1x h ALA 285 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1b1x h ALA 285 Cb 0.09 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 17.61 1b1x h ALA 285 CO 0.00 0.19 0.29 0.12 0.00 0.00 0.00 179.25 179.85 1b1x s PHE 286 N -4.76 -0.65 -0.13 0.00 5.36 -1.26 -5.05 117.98 111.49 1b1x s PHE 286 Ca -0.04 1.53 0.02 0.00 -0.96 0.00 0.00 56.93 57.48 1b1x s PHE 286 Cb 0.16 0.35 0.01 0.00 -0.34 0.00 0.00 43.02 43.20 1b1x s PHE 286 CO 0.70 -0.32 -0.18 -0.65 -1.46 0.00 0.00 175.22 173.31 1b1x s GLN 287 N 0.49 2.61 0.01 10.12 1.11 -1.26 -4.59 119.66 128.15 1b1x s GLN 287 Ca -0.00 -0.70 -0.21 0.00 0.01 0.00 0.00 55.36 54.46 1b1x s GLN 287 Cb -0.05 -2.16 -0.19 0.00 -1.01 0.00 0.00 33.01 29.60 1b1x s GLN 287 CO -0.05 -0.05 1.20 1.25 0.01 0.00 0.00 175.29 177.65 1b1x h LEU 288 N 7.40 0.42 -4.46 2.90 5.85 -1.39 -3.31 115.31 122.72 1b1x h LEU 288 Ca -0.32 -0.64 -0.60 0.00 0.84 0.00 0.00 57.88 57.17 1b1x h LEU 288 Cb 1.18 -0.12 -0.22 0.00 0.37 0.00 0.00 40.66 41.87 1b1x h LEU 288 CO 0.52 0.99 0.70 0.49 -0.34 0.00 0.00 178.44 180.80 1b1x n PHE 289 N -4.42 2.32 -3.85 1.25 3.72 -1.26 -4.79 117.46 110.44 1b1x n PHE 289 Ca -0.08 -2.25 -0.12 0.00 -0.05 0.00 0.00 57.45 54.95 1b1x n PHE 289 Cb 0.50 -1.27 -0.12 0.00 -0.94 0.00 0.00 39.48 37.65 1b1x n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1b1x s GLY 290 N -0.51 -0.04 0.32 1.37 0.00 -1.25 -1.38 107.32 105.83 1b1x s GLY 290 Ca 0.54 0.19 0.05 0.00 0.00 0.00 0.00 44.72 45.49 1b1x s GLY 290 CO -0.22 0.11 0.21 -0.56 0.00 0.00 0.00 173.10 172.63 1b1x s SER 291 N -0.45 1.61 0.64 1.64 0.01 -1.26 -4.87 113.70 111.02 1b1x s SER 291 Ca -0.05 -1.65 -0.14 0.00 1.31 0.00 0.00 55.95 55.41 1b1x s SER 291 Cb -0.03 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 1b1x s SER 291 CO 0.01 -0.98 1.08 0.42 0.41 0.00 0.00 173.24 174.18 1b1x s THR 292 N -3.54 3.58 0.17 1.44 -4.23 -1.24 -4.97 115.64 106.85 1b1x s THR 292 Ca 0.37 0.70 -0.11 0.00 -1.18 0.00 0.00 61.69 61.47 1b1x s THR 292 Cb 0.04 -3.24 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1b1x s THR 292 CO 0.21 -0.49 1.63 -0.65 -0.54 0.00 0.00 174.62 174.78 1b1x h PRO 293 N 0.03 0.97 -0.44 3.99 0.11 -2.01 -3.18 132.00 131.46 1b1x h PRO 293 Ca -0.46 -0.29 0.09 0.00 0.11 0.00 0.00 66.00 65.44 1b1x h PRO 293 Cb 1.23 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 1b1x h PRO 293 CO 0.56 0.96 -0.30 0.78 -0.21 0.00 0.00 178.00 179.78 1b1x h GLY 294 N 0.85 -0.14 -5.71 -0.55 0.00 -2.03 -3.40 103.07 92.10 1b1x h GLY 294 Ca 0.16 0.38 -0.45 0.00 0.00 0.00 0.00 47.33 47.42 1b1x h GLY 294 CO 0.02 -0.21 -0.79 -0.54 0.00 0.00 0.00 176.54 175.02 1b1x s GLU 295 N -6.03 1.16 0.57 4.80 8.01 -1.20 -5.06 118.70 120.95 1b1x s GLU 295 Ca -0.15 -0.32 0.10 0.00 0.01 0.00 0.00 54.97 54.61 1b1x s GLU 295 Cb 0.14 -1.05 0.08 0.00 -4.31 0.00 0.00 34.13 29.00 1b1x s GLU 295 CO 0.69 0.07 0.78 -0.65 0.01 0.00 0.00 175.26 176.16 1b1x s GLN 296 N 0.40 2.32 -0.94 1.61 -1.52 -1.25 -3.68 119.66 116.59 1b1x s GLN 296 Ca -0.07 -1.64 -0.11 0.00 -1.95 0.00 0.00 55.36 51.59 1b1x s GLN 296 Cb -0.11 -2.64 0.01 0.00 -0.22 0.00 0.00 33.01 30.05 1b1x s GLN 296 CO 0.01 -0.84 0.65 -0.25 -0.25 0.00 0.00 175.29 174.61 1b1x n ASP 297 N -2.23 -4.96 -4.65 5.90 8.00 -1.26 -4.91 116.55 112.44 1b1x n ASP 297 Ca 0.15 -0.98 -0.37 0.00 0.71 0.00 0.00 54.79 54.29 1b1x n ASP 297 Cb 0.62 -2.11 -0.09 0.00 -0.02 0.00 0.00 41.12 39.51 1b1x n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1b1x s LEU 298 N -5.64 4.12 0.00 0.64 1.43 -1.26 -4.47 118.68 113.49 1b1x s LEU 298 Ca 0.16 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1b1x s LEU 298 Cb -0.08 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.86 1b1x s LEU 298 CO 0.90 -0.02 0.00 0.18 0.23 0.00 0.00 176.35 177.64 1b1x n LEU 299 N 4.50 0.00 -4.14 1.79 4.77 -1.26 -4.74 117.00 117.91 1b1x n LEU 299 Ca -0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1b1x n LEU 299 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1b1x n LEU 299 CO 0.37 0.00 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.89 1b1x s PHE 300 N 0.00 0.94 -0.37 -1.77 0.08 -1.26 -4.43 117.98 111.16 1b1x s PHE 300 Ca 0.00 -1.22 -0.29 0.00 0.12 0.00 0.00 56.93 55.54 1b1x s PHE 300 Cb 0.00 -0.41 0.01 0.00 -0.57 0.00 0.00 43.02 42.05 1b1x s PHE 300 CO 0.00 -0.67 1.36 0.21 -0.10 0.00 0.00 175.22 176.02 1b1x s LYS 301 N -4.10 3.70 0.13 0.44 2.47 -1.26 -4.33 119.74 116.78 1b1x s LYS 301 Ca 0.32 1.03 -0.35 0.00 -1.56 0.00 0.00 55.97 55.41 1b1x s LYS 301 Cb 0.06 -3.97 -0.16 0.00 -1.46 0.00 0.00 37.83 32.30 1b1x s LYS 301 CO 0.09 -1.40 1.39 -0.25 0.16 0.00 0.00 175.35 175.34 1b1x n ASP 302 N 8.34 2.08 -0.53 1.43 8.00 -1.26 -1.02 116.55 133.59 1b1x n ASP 302 Ca 0.16 1.11 -0.07 0.00 0.71 0.00 0.00 54.79 56.70 1b1x n ASP 302 Cb 0.48 -1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.27 1b1x n ASP 302 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1b1x n SER 303 N 2.69 -3.87 -4.78 -2.24 7.64 -0.48 -5.00 113.62 107.58 1b1x n SER 303 Ca 0.17 0.17 -0.36 0.00 1.01 0.00 0.00 58.87 59.86 1b1x n SER 303 Cb 0.23 -1.98 -0.04 0.00 -1.01 0.00 0.00 64.21 61.42 1b1x n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b1x s ALA 304 N -2.24 3.04 0.20 -0.43 0.00 -0.19 -4.63 121.76 117.51 1b1x s ALA 304 Ca 0.00 0.72 0.14 0.00 0.00 0.00 0.00 51.96 52.82 1b1x s ALA 304 Cb 0.00 -3.28 0.44 0.00 0.00 0.00 0.00 23.12 20.28 1b1x s ALA 304 CO 0.00 -0.28 1.63 -0.07 0.00 0.00 0.00 175.76 177.04 1b1x h LEU 305 N 2.31 0.00 0.00 0.00 3.38 -1.33 -3.45 115.31 116.21 1b1x h LEU 305 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1b1x h LEU 305 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1b1x h LEU 305 CO 0.62 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.29 1b1x n GLY 306 N 0.35 -0.49 3.38 0.83 0.00 -1.25 -4.59 105.19 103.42 1b1x n GLY 306 Ca -0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1b1x n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b1x s PHE 307 N -3.79 1.73 -0.02 1.61 0.40 -1.26 -0.77 117.98 115.88 1b1x s PHE 307 Ca 0.00 -0.92 0.02 0.00 -0.60 0.00 0.00 56.93 55.43 1b1x s PHE 307 Cb 0.00 -1.04 0.01 0.00 0.51 0.00 0.00 43.02 42.50 1b1x s PHE 307 CO 0.00 -0.00 -0.05 0.14 0.70 0.00 0.00 175.22 176.00 1b1x s VAL 308 N -3.35 0.51 0.16 -0.44 -7.23 -0.59 -4.89 120.40 104.57 1b1x s VAL 308 Ca 0.32 -0.20 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 1b1x s VAL 308 Cb 0.06 -0.48 -0.08 0.00 0.56 0.00 0.00 36.38 36.45 1b1x s VAL 308 CO 0.11 0.18 1.20 -0.60 -0.31 0.00 0.00 175.10 175.68 1b1x s ARG 309 N 0.31 4.48 -0.27 4.82 3.52 -1.26 -1.75 118.95 128.80 1b1x s ARG 309 Ca -0.04 1.85 -0.20 0.00 -0.13 0.00 0.00 55.73 57.22 1b1x s ARG 309 Cb -0.08 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 1b1x s ARG 309 CO -0.00 -0.12 0.60 0.42 -0.81 0.00 0.00 175.30 175.39 1b1x s ILE 310 N 0.15 4.99 0.98 4.11 1.01 0.48 -4.90 121.20 128.02 1b1x s ILE 310 Ca 0.54 0.99 -0.15 0.00 0.00 0.00 0.00 60.65 62.03 1b1x s ILE 310 Cb -0.32 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1b1x s ILE 310 CO 0.35 -0.01 -0.12 -2.65 0.00 0.00 0.00 174.94 172.52 1b1x n PRO 311 N 5.71 -0.22 -0.01 2.79 -0.02 -1.26 -4.85 135.00 137.14 1b1x n PRO 311 Ca -0.02 -0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.33 1b1x n PRO 311 Cb 0.49 -1.50 0.05 0.00 -0.02 0.00 0.00 33.50 32.52 1b1x n PRO 311 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1b1x h SER 312 N -1.35 0.66 -0.57 2.55 0.02 -1.96 -3.22 113.55 109.68 1b1x h SER 312 Ca -0.44 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.16 1b1x h SER 312 Cb 1.29 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.62 1b1x h SER 312 CO 0.30 1.05 0.30 -0.61 -1.14 0.00 0.00 176.83 176.73 1b1x h GLN 313 N 0.47 0.82 -6.23 3.45 4.15 -1.92 -3.43 115.11 112.42 1b1x h GLN 313 Ca 0.02 -0.09 -0.66 0.00 0.77 0.00 0.00 58.65 58.68 1b1x h GLN 313 Cb 1.06 -0.16 0.02 0.00 0.21 0.00 0.00 27.48 28.60 1b1x h GLN 313 CO 0.10 0.62 1.03 -0.89 -1.93 0.00 0.00 178.83 177.76 1b1x n ILE 314 N -4.37 0.48 -3.83 2.39 5.41 -1.22 -4.99 119.36 113.23 1b1x n ILE 314 Ca 0.05 -0.09 -0.26 0.00 1.00 0.00 0.00 62.75 63.46 1b1x n ILE 314 Cb 0.11 -1.63 0.01 0.00 -0.71 0.00 0.00 39.64 37.41 1b1x n ILE 314 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1b1x s ASP 315 N 3.85 4.64 0.22 4.38 -4.77 -1.26 -4.65 116.67 119.08 1b1x s ASP 315 Ca 0.95 -1.27 -0.09 0.00 -3.30 0.00 0.00 52.55 48.84 1b1x s ASP 315 Cb -0.83 0.55 0.22 0.00 -1.09 0.00 0.00 42.92 41.76 1b1x s ASP 315 CO 0.57 -1.20 1.86 0.77 0.70 0.00 0.00 175.17 177.87 1b1x h SER 316 N 0.64 0.81 -0.59 2.11 4.64 -1.94 0.11 113.55 119.33 1b1x h SER 316 Ca -0.35 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1b1x h SER 316 Cb 1.31 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 1b1x h SER 316 CO 0.55 0.56 0.32 1.23 -0.87 0.00 0.00 176.83 178.62 1b1x h GLY 317 N 0.95 0.84 1.84 -0.77 0.00 -1.96 0.19 103.07 104.16 1b1x h GLY 317 Ca 0.31 -0.23 -0.20 0.00 0.00 0.00 0.00 47.33 47.21 1b1x h GLY 317 CO -0.11 0.16 -0.92 1.41 0.00 0.00 0.00 176.54 177.08 1b1x h LEU 318 N 0.62 0.19 0.05 3.11 3.38 -1.85 -0.98 115.31 119.83 1b1x h LEU 318 Ca 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1b1x h LEU 318 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1b1x h LEU 318 CO -0.15 1.01 -0.02 0.22 0.09 0.00 0.00 178.44 179.58 1b1x h TYR 319 N 0.07 -0.06 -0.26 1.13 3.20 0.00 -3.20 116.97 117.85 1b1x h TYR 319 Ca -0.04 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 1b1x h TYR 319 Cb 1.58 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 1b1x h TYR 319 CO 0.02 0.09 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.42 1b1x h LEU 320 N -0.20 0.58 0.00 2.82 3.38 -0.68 -3.48 115.31 117.72 1b1x h LEU 320 Ca -0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1b1x h LEU 320 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1b1x h LEU 320 CO 0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.02 1b1x n GLY 321 N -0.01 1.28 0.44 0.83 0.00 -0.37 -4.34 105.19 103.02 1b1x n GLY 321 Ca -0.04 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 1b1x n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b1x h ALA 322 N 0.00 -1.22 -0.86 4.61 0.00 -1.53 -1.01 119.26 119.24 1b1x h ALA 322 Ca 0.00 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.92 1b1x h ALA 322 Cb 0.00 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 18.18 1b1x h ALA 322 CO 0.00 -1.18 0.13 -0.91 0.00 0.00 0.00 179.25 177.29 1b1x h ASN 323 N -1.02 -0.20 -0.07 0.00 4.21 -1.87 0.24 115.58 116.87 1b1x h ASN 323 Ca -0.09 0.21 -0.14 0.00 1.21 0.00 0.00 56.30 57.49 1b1x h ASN 323 Cb 0.82 0.33 0.01 0.00 -1.12 0.00 0.00 38.32 38.36 1b1x h ASN 323 CO 0.09 -0.20 -0.52 0.22 -1.29 0.00 0.00 177.43 175.73 1b1x h TYR 324 N 0.14 0.66 -0.29 1.19 5.03 -1.73 -3.02 116.97 118.94 1b1x h TYR 324 Ca 0.52 -0.31 0.03 0.00 2.58 0.00 0.00 58.73 61.55 1b1x h TYR 324 Cb 1.02 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 1b1x h TYR 324 CO -0.36 1.09 0.12 -0.07 -1.32 0.00 0.00 178.16 177.62 1b1x h LEU 325 N 0.04 0.16 0.48 2.82 3.38 0.25 -0.58 115.31 121.86 1b1x h LEU 325 Ca -0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1b1x h LEU 325 Cb 1.18 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1b1x h LEU 325 CO 0.11 0.13 -0.45 0.71 0.09 0.00 0.00 178.44 179.02 1b1x h THR 326 N 0.26 0.11 -0.94 0.22 1.35 -0.65 0.29 112.91 113.54 1b1x h THR 326 Ca 0.13 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.13 1b1x h THR 326 Cb 0.07 0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 66.52 1b1x h THR 326 CO -0.11 0.00 0.60 0.00 -0.25 0.00 0.00 175.52 175.76 1b1x h ALA 327 N -0.68 1.72 0.10 6.62 0.00 -1.36 0.71 119.26 126.37 1b1x h ALA 327 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b1x h ALA 327 Cb 0.81 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1b1x h ALA 327 CO -0.04 0.01 -0.05 1.15 0.00 0.00 0.00 179.25 180.32 1b1x h THR 328 N 0.79 1.14 -0.24 0.00 2.02 -0.70 -2.98 112.91 112.94 1b1x h THR 328 Ca 0.48 -1.11 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1b1x h THR 328 Cb 0.68 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1b1x h THR 328 CO -0.24 0.26 0.17 1.56 0.37 0.00 0.00 175.52 177.63 1b1x h GLN 329 N -0.66 0.10 0.00 6.66 4.20 0.41 -2.26 115.11 123.55 1b1x h GLN 329 Ca -0.01 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1b1x h GLN 329 Cb 0.52 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1b1x h GLN 329 CO 0.02 0.07 -0.22 -0.91 -0.67 0.00 0.00 178.83 177.12 1b1x h ASN 330 N 0.10 0.00 0.06 1.46 -0.26 0.55 -1.07 115.58 116.42 1b1x h ASN 330 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1b1x h ASN 330 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1b1x h ASN 330 CO -0.01 0.22 0.00 0.18 -1.06 0.00 0.00 177.43 176.76 1b1x n LEU 331 N -4.09 0.00 -0.10 1.61 4.77 -0.85 -2.73 117.00 115.61 1b1x n LEU 331 Ca -0.02 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1b1x n LEU 331 Cb 0.29 -0.03 0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1b1x n LEU 331 CO 0.35 -0.00 0.50 -2.11 -1.33 0.00 0.00 177.39 174.80 1b1x n ARG 332 N -1.03 1.47 -4.21 3.23 0.00 -0.42 -4.83 116.66 110.87 1b1x n ARG 332 Ca 0.20 -2.07 -0.20 0.00 -0.00 0.00 0.00 57.85 55.79 1b1x n ARG 332 Cb 0.11 -1.23 -0.12 0.00 -0.00 0.00 0.00 32.46 31.22 1b1x n ARG 332 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1b1x s GLU 333 N -2.00 0.90 0.81 2.89 2.02 -1.11 -4.73 118.70 117.48 1b1x s GLU 333 Ca 0.20 -0.99 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 1b1x s GLU 333 Cb 0.17 -0.96 0.08 0.00 0.10 0.00 0.00 34.13 33.52 1b1x s GLU 333 CO 0.02 0.22 1.09 0.95 0.02 0.00 0.00 175.26 177.56 1b1x s THR 334 N -1.22 3.12 0.20 3.63 -4.23 -1.26 -4.48 115.64 111.40 1b1x s THR 334 Ca 0.00 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 1b1x s THR 334 Cb -0.10 -2.90 0.14 0.00 1.34 0.00 0.00 72.50 70.98 1b1x s THR 334 CO 0.03 -0.48 1.84 0.00 -0.54 0.00 0.00 174.62 175.47 1b1x h ALA 335 N -1.24 0.94 -0.46 3.99 0.00 -1.94 -0.34 119.26 120.22 1b1x h ALA 335 Ca -0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1b1x h ALA 335 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1b1x h ALA 335 CO 0.54 0.42 0.18 0.00 0.00 0.00 0.00 179.25 180.39 1b1x h ALA 336 N 1.23 1.46 -0.07 0.00 0.00 -1.95 -1.87 119.26 118.07 1b1x h ALA 336 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1b1x h ALA 336 Cb -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1b1x h ALA 336 CO -0.05 0.42 -0.05 0.93 0.00 0.00 0.00 179.25 180.50 1b1x h GLU 337 N 0.65 0.16 0.71 0.00 5.08 -1.48 -1.51 114.58 118.19 1b1x h GLU 337 Ca 0.16 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1b1x h GLU 337 Cb 0.13 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1b1x h GLU 337 CO -0.02 0.56 -0.34 0.28 -1.00 0.00 0.00 179.01 178.50 1b1x h VAL 338 N -0.24 0.30 -0.68 3.13 2.07 -1.09 -2.02 116.25 117.72 1b1x h VAL 338 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1b1x h VAL 338 Cb 0.53 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1b1x h VAL 338 CO 0.01 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.05 1b1x h ALA 339 N -0.65 1.70 0.15 1.67 0.00 -1.43 -1.30 119.26 119.40 1b1x h ALA 339 Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1b1x h ALA 339 Cb 0.73 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1b1x h ALA 339 CO 0.16 0.20 -0.07 0.00 0.00 0.00 0.00 179.25 179.54 1b1x h ALA 340 N 1.62 -0.20 -0.39 0.00 0.00 -1.12 -2.58 119.26 116.59 1b1x h ALA 340 Ca 0.29 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1b1x h ALA 340 Cb 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1b1x h ALA 340 CO -0.09 -0.60 0.16 -0.09 0.00 0.00 0.00 179.25 178.62 1b1x h ARG 341 N -0.21 0.32 0.00 0.00 9.65 -0.75 -1.75 114.38 121.64 1b1x h ARG 341 Ca -0.02 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1b1x h ARG 341 Cb 0.17 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1b1x h ARG 341 CO 0.03 0.21 -0.00 -0.09 2.80 0.00 0.00 179.97 182.92 1b1x h ARG 342 N 0.33 0.00 0.00 0.20 2.43 -1.11 -3.07 114.38 113.15 1b1x h ARG 342 Ca 0.18 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.11 1b1x h ARG 342 Cb 0.14 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1b1x h ARG 342 CO -0.17 0.00 -1.98 0.39 -1.51 0.00 0.00 179.97 176.70 1b1x n GLU 343 N -3.53 0.66 -0.44 0.20 1.02 -0.71 -4.94 120.64 112.89 1b1x n GLU 343 Ca -0.03 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.11 1b1x n GLU 343 Cb 0.08 -1.63 0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1b1x n GLU 343 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1b1x n ARG 344 N -2.72 -0.09 -3.69 3.49 1.85 -0.88 -5.00 116.66 109.63 1b1x n ARG 344 Ca -0.20 -0.37 -0.18 0.00 -1.00 0.00 0.00 57.85 56.10 1b1x n ARG 344 Cb 0.95 -0.21 -0.17 0.00 -1.05 0.00 0.00 32.46 31.98 1b1x n ARG 344 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1b1x s VAL 345 N -1.27 -0.12 -0.30 8.89 1.01 -0.24 -4.99 120.40 123.38 1b1x s VAL 345 Ca 0.13 0.37 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1b1x s VAL 345 Cb -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1b1x s VAL 345 CO 0.09 0.16 0.24 -0.69 0.00 0.00 0.00 175.10 174.89 1b1x s VAL 346 N 1.94 5.28 0.19 2.92 1.01 -1.26 -0.62 120.40 129.86 1b1x s VAL 346 Ca 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1b1x s VAL 346 Cb -0.12 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1b1x s VAL 346 CO -0.03 0.16 0.51 0.86 0.00 0.00 0.00 175.10 176.60 1b1x s TRP 347 N 1.81 3.47 -0.32 5.22 -0.11 -0.12 0.11 118.94 129.00 1b1x s TRP 347 Ca 0.08 0.85 -0.07 0.00 1.22 0.00 0.00 56.10 58.18 1b1x s TRP 347 Cb -0.16 -2.23 0.02 0.00 -1.50 0.00 0.00 33.47 29.60 1b1x s TRP 347 CO 0.11 0.33 0.10 0.00 -4.62 0.00 0.00 176.95 172.88 1b1x s ALA 349 N 1.46 3.72 -0.48 0.00 0.00 0.19 -4.78 121.76 121.88 1b1x s ALA 349 Ca 0.01 -0.28 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 1b1x s ALA 349 Cb -0.18 -2.33 0.09 0.00 0.00 0.00 0.00 23.12 20.70 1b1x s ALA 349 CO 0.03 0.51 0.39 0.08 0.00 0.00 0.00 175.76 176.77 1b1x s VAL 350 N -1.12 4.98 0.00 0.00 1.01 -1.26 -2.27 120.40 121.74 1b1x s VAL 350 Ca 0.24 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1b1x s VAL 350 Cb -0.16 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1b1x s VAL 350 CO 0.13 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1b1x n GLY 351 N 5.14 -0.20 0.27 4.51 0.00 0.52 -4.47 105.19 110.96 1b1x n GLY 351 Ca -0.12 -1.73 0.04 0.00 0.00 0.00 0.00 46.02 44.22 1b1x n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b1x h PRO 352 N 0.00 0.41 -0.19 1.61 0.13 -1.92 -2.78 132.00 129.26 1b1x h PRO 352 Ca 0.00 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 1b1x h PRO 352 Cb 0.00 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.03 1b1x h PRO 352 CO 0.00 0.27 -0.58 0.93 -0.23 0.00 0.00 178.00 178.39 1b1x h GLU 353 N 0.42 0.61 -0.21 0.86 5.08 -1.98 -2.72 114.58 116.64 1b1x h GLU 353 Ca 0.40 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1b1x h GLU 353 Cb 0.59 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1b1x h GLU 353 CO -0.40 1.02 -0.34 0.93 -1.00 0.00 0.00 179.01 179.22 1b1x h GLU 354 N 0.46 0.45 -0.53 2.33 5.08 -1.73 -2.46 114.58 118.18 1b1x h GLU 354 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1b1x h GLU 354 Cb 1.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1b1x h GLU 354 CO 0.11 0.73 0.16 1.49 -1.00 0.00 0.00 179.01 180.51 1b1x h GLU 355 N 0.38 0.82 0.30 2.33 4.81 -1.43 0.35 114.58 122.14 1b1x h GLU 355 Ca 0.04 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1b1x h GLU 355 Cb 0.78 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1b1x h GLU 355 CO 0.06 0.76 -0.16 0.00 -0.73 0.00 0.00 179.01 178.94 1b1x h ARG 356 N 0.72 -0.41 -0.74 1.92 3.08 -1.25 0.26 114.38 117.96 1b1x h ARG 356 Ca 0.17 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.31 1b1x h ARG 356 Cb 0.28 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1b1x h ARG 356 CO -0.00 -0.27 0.49 -0.22 -1.07 0.00 0.00 179.97 178.89 1b1x h LYS 357 N -0.42 0.75 -0.52 0.04 3.64 -1.24 0.18 116.57 119.00 1b1x h LYS 357 Ca -0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1b1x h LYS 357 Cb 0.34 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1b1x h LYS 357 CO 0.05 0.50 0.02 0.00 -2.27 0.00 0.00 179.45 177.75 1b1x h LYS 359 N 0.78 0.15 -0.31 0.00 1.79 0.25 0.19 116.57 119.41 1b1x h LYS 359 Ca 0.15 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.65 1b1x h LYS 359 Cb 0.50 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 1b1x h LYS 359 CO 0.02 0.10 0.06 1.96 -1.08 0.00 0.00 179.45 180.52 1b1x h GLN 360 N 0.15 0.17 -0.82 3.15 4.20 -1.04 -1.19 115.11 119.74 1b1x h GLN 360 Ca 0.23 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.95 1b1x h GLN 360 Cb 0.32 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1b1x h GLN 360 CO -0.34 0.11 0.54 2.35 -0.67 0.00 0.00 178.83 180.82 1b1x h TRP 361 N 0.18 0.98 0.09 2.96 7.01 -0.24 0.05 115.95 126.98 1b1x h TRP 361 Ca 0.15 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 1b1x h TRP 361 Cb 0.16 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1b1x h TRP 361 CO -0.17 0.58 -0.04 1.03 -2.79 0.00 0.00 178.44 177.04 1b1x h SER 362 N 1.03 -0.10 -0.74 2.65 0.87 0.23 -1.98 113.55 115.50 1b1x h SER 362 Ca 0.32 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b1x h SER 362 Cb 0.01 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1b1x h SER 362 CO -0.09 0.27 0.44 0.44 -0.53 0.00 0.00 176.83 177.36 1b1x h ASP 363 N -0.49 0.89 1.21 6.23 3.32 -1.00 -1.62 116.42 124.96 1b1x h ASP 363 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1b1x h ASP 363 Cb 0.41 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1b1x h ASP 363 CO 0.02 0.69 0.00 0.58 -1.72 0.00 0.00 179.24 178.81 1b1x h VAL 364 N 1.01 0.00 -0.02 -1.35 2.07 -1.01 -3.04 116.25 113.91 1b1x h VAL 364 Ca 0.26 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1b1x h VAL 364 Cb -0.03 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1b1x h VAL 364 CO -0.05 0.00 -0.11 -1.54 0.02 0.00 0.00 177.57 175.89 1b1x n SER 365 N -2.94 2.34 -2.37 0.57 3.41 -0.75 -4.94 113.62 108.94 1b1x n SER 365 Ca 0.02 -1.71 -0.15 0.00 -0.26 0.00 0.00 58.87 56.76 1b1x n SER 365 Cb 0.35 0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1b1x n SER 365 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1b1x n ASN 366 N 0.68 -4.73 -2.34 4.04 5.15 -1.01 -3.23 115.26 113.82 1b1x n ASN 366 Ca 0.14 -0.31 -0.20 0.00 -0.60 0.00 0.00 54.58 53.61 1b1x n ASN 366 Cb 0.50 -3.39 -0.01 0.00 -0.53 0.00 0.00 39.78 36.36 1b1x n ASN 366 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1b1x n ARG 367 N -3.25 -1.64 0.11 1.20 1.74 -0.67 -4.86 116.66 109.30 1b1x n ARG 367 Ca -0.01 1.00 -0.03 0.00 -0.77 0.00 0.00 57.85 58.03 1b1x n ARG 367 Cb 0.55 -5.64 0.10 0.00 -1.02 0.00 0.00 32.46 26.45 1b1x n ARG 367 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1b1x h LYS 368 N 0.00 0.03 -5.25 5.56 1.57 -1.80 -3.42 116.57 113.26 1b1x h LYS 368 Ca -0.49 -0.02 -0.67 0.00 -1.87 0.00 0.00 60.65 57.60 1b1x h LYS 368 Cb 1.36 0.01 -0.32 0.00 0.08 0.00 0.00 32.23 33.36 1b1x h LYS 368 CO 0.58 0.72 -0.84 0.08 -0.57 0.00 0.00 179.45 179.42 1b1x s VAL 369 N -3.41 2.34 0.44 0.50 1.01 -1.26 -1.08 120.40 118.94 1b1x s VAL 369 Ca -0.01 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1b1x s VAL 369 Cb 0.12 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.50 1b1x s VAL 369 CO 0.78 0.54 0.01 0.00 0.00 0.00 0.00 175.10 176.43 1b1x s ALA 370 N 0.63 3.48 0.22 5.51 0.00 0.21 -4.15 121.76 127.66 1b1x s ALA 370 Ca -0.10 -1.68 0.10 0.00 0.00 0.00 0.00 51.96 50.28 1b1x s ALA 370 Cb -0.16 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1b1x s ALA 370 CO 0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 175.76 175.50 1b1x s ALA 372 N -2.32 0.08 0.06 0.00 0.00 0.18 -4.85 121.76 114.91 1b1x s ALA 372 Ca 0.24 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1b1x s ALA 372 Cb -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1b1x s ALA 372 CO 0.11 -0.11 -0.06 -1.54 0.00 0.00 0.00 175.76 174.16 1b1x s SER 373 N -0.98 0.85 0.12 0.00 1.04 -1.26 0.56 113.70 114.03 1b1x s SER 373 Ca -0.11 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.37 1b1x s SER 373 Cb -0.07 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.17 1b1x s SER 373 CO -0.01 -0.38 0.37 0.00 0.98 0.00 0.00 173.24 174.21 1b1x s ALA 374 N -2.69 -0.85 0.03 5.32 0.00 -0.96 -4.94 121.76 117.67 1b1x s ALA 374 Ca 0.01 -0.10 0.26 0.00 0.00 0.00 0.00 51.96 52.13 1b1x s ALA 374 Cb -0.01 0.65 0.93 0.00 0.00 0.00 0.00 23.12 24.68 1b1x s ALA 374 CO -0.03 -0.61 1.82 0.77 0.00 0.00 0.00 175.76 177.70 1b1x h SER 375 N 2.46 0.00 -5.29 0.00 0.02 -1.94 0.15 113.55 108.95 1b1x h SER 375 Ca -0.34 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.48 1b1x h SER 375 Cb 1.25 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.64 1b1x h SER 375 CO 0.48 0.14 -0.53 0.42 -1.14 0.00 0.00 176.83 176.20 1b1x s THR 376 N -3.55 0.13 0.35 -2.27 -4.23 -1.26 -4.48 115.64 100.33 1b1x s THR 376 Ca 0.02 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1b1x s THR 376 Cb 0.09 -1.73 0.23 0.00 1.34 0.00 0.00 72.50 72.43 1b1x s THR 376 CO 0.62 -0.61 1.97 0.74 -0.54 0.00 0.00 174.62 176.80 1b1x h THR 377 N 2.85 1.17 -0.28 3.99 2.02 -1.89 -2.44 112.91 118.32 1b1x h THR 377 Ca -0.34 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1b1x h THR 377 Cb 1.19 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1b1x h THR 377 CO 0.58 0.19 0.06 -0.33 0.37 0.00 0.00 175.52 176.39 1b1x h GLU 378 N 0.70 0.45 -0.67 6.66 4.39 -1.97 -1.82 114.58 122.31 1b1x h GLU 378 Ca 0.18 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1b1x h GLU 378 Cb 0.06 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1b1x h GLU 378 CO -0.03 0.54 0.35 0.93 -1.16 0.00 0.00 179.01 179.65 1b1x h GLU 379 N 0.28 0.60 -0.58 2.33 5.08 -1.88 -0.80 114.58 119.61 1b1x h GLU 379 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1b1x h GLU 379 Cb 0.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1b1x h GLU 379 CO 0.00 0.40 0.38 0.00 -1.00 0.00 0.00 179.01 178.79 1b1x h ILE 381 N 0.79 1.21 -0.58 0.00 2.04 -0.65 0.57 117.51 120.88 1b1x h ILE 381 Ca 0.21 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1b1x h ILE 381 Cb -0.07 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 35.91 1b1x h ILE 381 CO -0.04 0.21 0.35 0.00 0.00 0.00 0.00 178.15 178.67 1b1x h ALA 382 N 1.33 0.74 -0.65 1.87 0.00 -0.67 0.00 119.26 121.89 1b1x h ALA 382 Ca 0.33 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1b1x h ALA 382 Cb -0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.39 1b1x h ALA 382 CO -0.08 0.22 0.33 -0.07 0.00 0.00 0.00 179.25 179.65 1b1x h LEU 383 N 0.79 0.46 -1.01 0.00 3.38 0.11 0.50 115.31 119.54 1b1x h LEU 383 Ca 0.21 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1b1x h LEU 383 Cb -0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1b1x h LEU 383 CO -0.04 0.29 0.51 0.58 0.09 0.00 0.00 178.44 179.87 1b1x h VAL 384 N 0.60 1.24 0.00 1.22 2.07 -0.07 0.81 116.25 122.13 1b1x h VAL 384 Ca 0.30 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 1b1x h VAL 384 Cb 0.26 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1b1x h VAL 384 CO -0.22 0.26 -0.52 -0.07 0.02 0.00 0.00 177.57 177.04 1b1x h LEU 385 N 1.21 0.00 -0.36 2.57 3.38 0.14 -2.76 115.31 119.49 1b1x h LEU 385 Ca 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1b1x h LEU 385 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1b1x h LEU 385 CO -0.06 0.52 -0.49 0.11 0.09 0.00 0.00 178.44 178.61 1b1x h LYS 386 N 0.00 0.00 0.00 1.13 1.57 0.20 -2.51 116.57 116.96 1b1x h LYS 386 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1b1x h LYS 386 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1b1x h LYS 386 CO 0.07 0.49 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 1b1x n GLY 387 N 0.86 1.00 0.35 3.86 0.00 -0.56 -3.75 105.19 106.94 1b1x n GLY 387 Ca 0.01 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1b1x n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b1x n GLU 388 N -2.02 0.93 -4.01 1.61 1.02 0.17 -4.91 120.64 113.43 1b1x n GLU 388 Ca 0.00 -0.71 -0.08 0.00 -0.02 0.00 0.00 57.16 56.35 1b1x n GLU 388 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.85 1b1x n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1b1x s ALA 389 N -2.56 0.26 -0.10 0.62 0.00 -1.16 -4.88 121.76 113.94 1b1x s ALA 389 Ca 0.19 -1.01 0.11 0.00 0.00 0.00 0.00 51.96 51.24 1b1x s ALA 389 Cb 0.18 0.41 -0.15 0.00 0.00 0.00 0.00 23.12 23.56 1b1x s ALA 389 CO 0.59 -0.44 0.07 -0.25 0.00 0.00 0.00 175.76 175.73 1b1x n ASP 390 N 0.03 2.09 -3.31 0.00 8.00 0.31 -4.36 116.55 119.31 1b1x n ASP 390 Ca -0.14 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.32 1b1x n ASP 390 Cb 0.62 0.89 0.01 0.00 -0.02 0.00 0.00 41.12 42.62 1b1x n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b1x s ALA 391 N -2.36 -1.37 -0.21 2.24 0.00 -0.99 -4.48 121.76 114.60 1b1x s ALA 391 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1b1x s ALA 391 Cb 0.04 0.72 0.15 0.00 0.00 0.00 0.00 23.12 24.04 1b1x s ALA 391 CO 0.49 -1.04 1.14 -0.48 0.00 0.00 0.00 175.76 175.87 1b1x s LEU 392 N -3.24 -0.23 -0.02 0.00 0.05 -1.21 -1.53 118.68 112.50 1b1x s LEU 392 Ca 0.19 0.24 -0.25 0.00 0.05 0.00 0.00 54.13 54.36 1b1x s LEU 392 Cb -0.03 1.55 -0.04 0.00 -2.05 0.00 0.00 46.19 45.61 1b1x s LEU 392 CO 0.07 -0.22 0.75 0.21 -0.55 0.00 0.00 176.35 176.60 1b1x s ASN 393 N -1.13 7.10 0.18 1.48 2.47 -1.26 -1.69 114.94 122.08 1b1x s ASN 393 Ca 0.03 1.33 0.08 0.00 0.42 0.00 0.00 52.86 54.71 1b1x s ASN 393 Cb -0.01 -2.45 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 1b1x s ASN 393 CO -0.02 -0.08 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.35 1b1x s LEU 394 N 0.50 2.48 0.45 3.21 1.43 0.67 -4.91 118.68 122.51 1b1x s LEU 394 Ca 0.39 -0.91 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 1b1x s LEU 394 Cb -0.19 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.17 1b1x s LEU 394 CO 0.21 -0.09 0.96 -0.62 0.23 0.00 0.00 176.35 177.04 1b1x s ASP 395 N -2.89 6.83 0.34 2.29 2.15 -1.26 -0.83 116.67 123.30 1b1x s ASP 395 Ca 0.18 1.69 0.12 0.00 0.43 0.00 0.00 52.55 54.98 1b1x s ASP 395 Cb -0.04 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 41.10 1b1x s ASP 395 CO 0.07 -0.44 1.61 1.23 -0.17 0.00 0.00 175.17 177.47 1b1x h GLY 396 N 1.72 1.88 0.85 2.66 0.00 -1.79 0.26 103.07 108.64 1b1x h GLY 396 Ca -0.49 -0.10 0.04 0.00 0.00 0.00 0.00 47.33 46.78 1b1x h GLY 396 CO 0.61 -0.59 0.60 -1.33 0.00 0.00 0.00 176.54 175.83 1b1x h GLY 397 N 0.13 1.36 0.57 4.60 0.00 -1.92 -1.51 103.07 106.30 1b1x h GLY 397 Ca 0.72 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1b1x h GLY 397 CO -0.73 0.38 -0.36 0.69 0.00 0.00 0.00 176.54 176.51 1b1x n PHE 398 N -4.51 0.00 0.05 5.60 3.72 0.82 -3.20 117.46 119.94 1b1x n PHE 398 Ca 0.12 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.45 1b1x n PHE 398 Cb 0.11 -0.18 0.08 0.00 -0.94 0.00 0.00 39.48 38.55 1b1x n PHE 398 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1b1x h ILE 399 N 0.67 1.36 0.49 4.37 2.04 -0.21 -0.31 117.51 125.93 1b1x h ILE 399 Ca 0.00 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.89 1b1x h ILE 399 Cb 0.50 1.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1b1x h ILE 399 CO 0.00 0.59 -0.24 0.22 0.00 0.00 0.00 178.15 178.72 1b1x h TYR 400 N 0.27 -0.61 0.03 1.37 3.20 -1.45 0.53 116.97 120.32 1b1x h TYR 400 Ca -0.01 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1b1x h TYR 400 Cb 1.14 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 1b1x h TYR 400 CO 0.03 -0.38 -0.17 0.28 -1.64 0.00 0.00 178.16 176.29 1b1x h VAL 401 N -0.67 0.60 -0.79 1.81 2.07 -1.60 0.88 116.25 118.55 1b1x h VAL 401 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 1b1x h VAL 401 Cb 0.51 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.78 1b1x h VAL 401 CO 0.11 0.00 0.36 0.00 0.02 0.00 0.00 177.57 178.06 1b1x h ALA 402 N 0.60 1.16 -0.02 1.67 0.00 -0.83 0.14 119.26 121.97 1b1x h ALA 402 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1b1x h ALA 402 Cb 0.35 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1b1x h ALA 402 CO -0.14 -0.17 -0.56 0.78 0.00 0.00 0.00 179.25 179.16 1b1x h GLY 403 N 0.51 0.07 2.00 0.00 0.00 0.74 -0.33 103.07 106.05 1b1x h GLY 403 Ca 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1b1x h GLY 403 CO -0.39 0.07 -0.08 0.50 0.00 0.00 0.00 176.54 176.64 1b1x h LYS 404 N 0.05 0.00 -0.46 4.80 1.79 0.11 -2.64 116.57 120.21 1b1x h LYS 404 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1b1x h LYS 404 Cb 1.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 1b1x h LYS 404 CO 0.08 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.53 1b1x n GLY 406 N 1.36 0.72 3.86 0.00 0.00 -1.00 -5.00 105.19 105.13 1b1x n GLY 406 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1b1x n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b1x s LEU 407 N 0.00 3.98 0.14 0.99 1.43 -0.21 -4.61 118.68 120.39 1b1x s LEU 407 Ca 0.00 1.25 0.10 0.00 -1.03 0.00 0.00 54.13 54.45 1b1x s LEU 407 Cb 0.00 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 1b1x s LEU 407 CO 0.00 -0.28 -0.22 0.68 0.23 0.00 0.00 176.35 176.76 1b1x s VAL 408 N -2.12 2.53 -0.14 -1.59 -7.23 0.08 -3.89 120.40 108.03 1b1x s VAL 408 Ca 0.54 -1.71 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 1b1x s VAL 408 Cb -0.10 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 1b1x s VAL 408 CO 0.22 0.05 1.10 -2.16 -0.31 0.00 0.00 175.10 174.00 1b1x s PRO 409 N -2.23 4.33 0.00 4.82 0.04 -1.26 -2.14 135.00 138.55 1b1x s PRO 409 Ca 0.17 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.70 1b1x s PRO 409 Cb -0.10 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1b1x s PRO 409 CO 0.09 -0.51 0.00 0.28 0.04 0.00 0.00 177.00 176.90 1b1x n VAL 410 N 4.94 0.00 -4.29 -0.36 0.31 -0.26 -4.85 118.33 113.82 1b1x n VAL 410 Ca 0.11 0.44 -0.17 0.00 -0.01 0.00 0.00 64.34 64.70 1b1x n VAL 410 Cb 0.47 -1.33 -0.10 0.00 -0.91 0.00 0.00 33.84 31.97 1b1x n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1b1x s LEU 411 N -3.76 2.50 0.19 7.52 1.43 -1.25 -4.52 118.68 120.80 1b1x s LEU 411 Ca 0.00 -0.95 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 1b1x s LEU 411 Cb 0.00 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.61 1b1x s LEU 411 CO 0.00 -0.20 -0.11 0.00 0.23 0.00 0.00 176.35 176.27 1b1x s ALA 412 N -2.80 2.90 -0.02 4.21 0.00 -0.19 -0.88 121.76 124.99 1b1x s ALA 412 Ca 0.17 -1.53 -0.30 0.00 0.00 0.00 0.00 51.96 50.30 1b1x s ALA 412 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1b1x s ALA 412 CO 0.04 0.43 1.14 -1.21 0.00 0.00 0.00 175.76 176.17 1b1x s GLU 413 N -2.92 4.42 -0.34 0.00 2.02 -0.61 0.82 118.70 122.09 1b1x s GLU 413 Ca 0.25 1.63 -0.00 0.00 0.02 0.00 0.00 54.97 56.87 1b1x s GLU 413 Cb -0.08 -3.48 0.08 0.00 0.10 0.00 0.00 34.13 30.75 1b1x s GLU 413 CO 0.15 -0.31 0.06 1.21 0.02 0.00 0.00 175.26 176.39 1b1x s ASN 414 N 1.24 4.93 0.94 -0.19 3.84 0.56 -4.68 114.94 121.58 1b1x s ASN 414 Ca 0.55 -1.73 -0.10 0.00 0.21 0.00 0.00 52.86 51.79 1b1x s ASN 414 Cb -0.25 -1.71 0.16 0.00 -0.55 0.00 0.00 41.25 38.90 1b1x s ASN 414 CO 0.25 -0.37 1.13 0.00 -2.79 0.00 0.00 177.10 175.31 1b1x s GLN 415 N 1.12 0.82 -0.45 0.43 0.00 -1.26 0.42 119.66 120.74 1b1x s GLN 415 Ca 0.02 1.41 -0.28 0.00 -0.00 0.00 0.00 55.36 56.52 1b1x s GLN 415 Cb -0.21 -1.71 -0.29 0.00 0.00 0.00 0.00 33.01 30.80 1b1x s GLN 415 CO -0.04 -2.72 1.78 1.63 0.00 0.00 0.00 175.29 175.94 1b1x n LYS 416 N -4.28 0.46 -0.28 9.60 5.02 -0.12 -4.38 118.16 124.18 1b1x n LYS 416 Ca 0.10 -1.42 -0.21 0.00 -2.02 0.00 0.00 58.31 54.76 1b1x n LYS 416 Cb 0.52 -2.94 0.20 0.00 -0.02 0.00 0.00 35.03 32.80 1b1x n LYS 416 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1b1x n SER 417 N 11.07 -3.46 -3.60 4.39 7.64 -1.26 -5.03 113.62 123.37 1b1x n SER 417 Ca 0.46 -0.60 -0.25 0.00 1.01 0.00 0.00 58.87 59.49 1b1x n SER 417 Cb 0.43 -0.77 -0.17 0.00 -1.01 0.00 0.00 64.21 62.69 1b1x n SER 417 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1b1x s GLN 418 N -4.16 0.08 0.34 1.43 1.11 -1.26 -4.82 119.66 112.38 1b1x s GLN 418 Ca 0.46 -0.05 0.00 0.00 0.01 0.00 0.00 55.36 55.78 1b1x s GLN 418 Cb -0.08 -1.76 0.00 0.00 -1.01 0.00 0.00 33.01 30.16 1b1x s GLN 418 CO 0.39 -0.67 0.00 0.09 0.01 0.00 0.00 175.29 175.11 1b1x n ASN 419 N 5.28 -3.06 -3.15 5.90 3.02 -1.26 -5.08 115.26 116.92 1b1x n ASN 419 Ca -0.07 0.73 0.04 0.00 -0.03 0.00 0.00 54.58 55.26 1b1x n ASN 419 Cb 0.49 2.96 -0.01 0.00 -0.61 0.00 0.00 39.78 42.62 1b1x n ASN 419 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1b1x s SER 420 N -1.84 -1.12 -0.11 6.41 1.04 -1.26 -5.06 113.70 111.76 1b1x s SER 420 Ca 0.00 0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.83 1b1x s SER 420 Cb 0.00 1.84 -0.16 0.00 0.10 0.00 0.00 66.02 67.80 1b1x s SER 420 CO 0.00 -0.21 3.25 0.59 0.98 0.00 0.00 173.24 177.85 1b1x n ASN 421 N 5.39 5.56 -1.36 7.02 3.02 -1.26 -4.52 115.26 129.12 1b1x n ASN 421 Ca 0.01 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1b1x n ASN 421 Cb 0.53 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1b1x n ASN 421 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b1x n ALA 422 N 1.99 0.00 1.41 5.41 0.00 -1.26 -4.88 120.51 123.17 1b1x n ALA 422 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1b1x n ALA 422 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1b1x n ALA 422 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b1x n PRO 423 N 0.00 0.80 -0.35 0.00 -0.04 -1.26 -3.92 135.00 130.23 1b1x n PRO 423 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1b1x n PRO 423 Cb 0.00 -1.09 0.26 0.00 -0.04 0.00 0.00 33.50 32.63 1b1x n PRO 423 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1b1x h ASP 424 N 0.05 0.85 -0.94 3.54 5.19 -1.90 -3.31 116.42 119.89 1b1x h ASP 424 Ca 0.00 0.07 0.12 0.00 -0.62 0.00 0.00 57.03 56.60 1b1x h ASP 424 Cb 0.09 -0.10 -0.13 0.00 0.18 0.00 0.00 39.33 39.37 1b1x h ASP 424 CO 0.00 0.40 -0.45 0.00 -3.12 0.00 0.00 179.24 176.07 1b1x h VAL 426 N 0.00 0.00 0.00 0.00 2.07 -1.86 -2.35 116.25 114.11 1b1x h VAL 426 Ca 0.25 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1b1x h VAL 426 Cb 0.49 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1b1x h VAL 426 CO -0.91 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.09 1b1x n HIS 427 N -2.73 0.00 -2.32 1.57 8.25 -0.03 -1.61 115.22 118.35 1b1x n HIS 427 Ca -0.01 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 1b1x n HIS 427 Cb 0.14 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1b1x n HIS 427 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1b1x s ARG 428 N -0.02 4.44 0.19 -0.41 3.52 0.61 -4.95 118.95 122.34 1b1x s ARG 428 Ca 0.00 1.92 -0.32 0.00 -0.13 0.00 0.00 55.73 57.21 1b1x s ARG 428 Cb 0.00 -3.24 -0.11 0.00 -1.56 0.00 0.00 34.95 30.04 1b1x s ARG 428 CO 0.00 -0.18 1.64 -2.14 -0.81 0.00 0.00 175.30 173.80 1b1x s PRO 429 N 0.09 4.17 0.34 5.12 0.02 -1.26 -4.77 135.00 138.71 1b1x s PRO 429 Ca 0.56 2.49 -0.29 0.00 0.02 0.00 0.00 61.00 63.77 1b1x s PRO 429 Cb -0.34 -3.11 -0.11 0.00 0.02 0.00 0.00 34.50 30.96 1b1x s PRO 429 CO 0.35 -0.67 1.54 -2.14 -0.33 0.00 0.00 177.00 175.75 1b1x s PRO 430 N 1.03 4.11 0.00 5.54 0.02 -1.26 -4.91 135.00 139.53 1b1x s PRO 430 Ca 0.72 2.58 0.05 0.00 0.02 0.00 0.00 61.00 64.36 1b1x s PRO 430 Cb -0.47 -2.99 0.11 0.00 0.02 0.00 0.00 34.50 31.17 1b1x s PRO 430 CO 0.33 -0.58 0.97 -0.85 -0.33 0.00 0.00 177.00 176.53 1b1x n GLU 431 N 1.25 1.84 -0.00 5.54 0.28 -1.26 -5.06 120.64 123.23 1b1x n GLU 431 Ca 0.04 -1.44 0.00 0.00 -0.16 0.00 0.00 57.16 55.61 1b1x n GLU 431 Cb 0.38 -1.12 -0.00 0.00 1.43 0.00 0.00 31.44 32.13 1b1x n GLU 431 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1b1x n GLY 432 N 0.09 -1.61 3.21 -1.84 0.00 -1.26 -4.98 105.19 98.80 1b1x n GLY 432 Ca 0.05 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1b1x n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1b1x s TYR 433 N -0.00 -0.12 -0.19 1.61 -0.85 -0.96 -4.85 117.35 112.00 1b1x s TYR 433 Ca 0.00 0.14 -0.26 0.00 -0.52 0.00 0.00 57.07 56.43 1b1x s TYR 433 Cb 0.00 0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 1b1x s TYR 433 CO 0.00 -0.37 0.85 -0.51 -1.52 0.00 0.00 175.55 174.00 1b1x s LEU 434 N -1.41 4.15 0.12 -3.49 1.43 -1.26 -0.23 118.68 117.99 1b1x s LEU 434 Ca -0.13 1.17 -0.28 0.00 -1.03 0.00 0.00 54.13 53.86 1b1x s LEU 434 Cb -0.05 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.84 1b1x s LEU 434 CO 0.03 -0.44 0.90 0.00 0.23 0.00 0.00 176.35 177.06 1b1x s ALA 435 N 2.36 3.30 0.25 4.21 0.00 0.19 -2.65 121.76 129.44 1b1x s ALA 435 Ca 0.38 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1b1x s ALA 435 Cb -0.16 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1b1x s ALA 435 CO 0.11 0.06 0.03 0.14 0.00 0.00 0.00 175.76 176.10 1b1x s VAL 436 N -0.30 0.96 -0.24 0.00 -7.23 0.40 -1.66 120.40 112.34 1b1x s VAL 436 Ca 0.43 -2.02 -0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1b1x s VAL 436 Cb -0.23 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.25 1b1x s VAL 436 CO 0.28 -0.20 -0.10 0.00 -0.31 0.00 0.00 175.10 174.78 1b1x s ALA 437 N -3.47 2.60 -0.03 1.32 0.00 -1.26 -1.59 121.76 119.33 1b1x s ALA 437 Ca 0.32 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.80 1b1x s ALA 437 Cb 0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 1b1x s ALA 437 CO 0.11 -0.82 -0.03 0.08 0.00 0.00 0.00 175.76 175.10 1b1x s VAL 438 N 1.27 3.98 0.11 0.00 1.01 0.59 -1.18 120.40 126.17 1b1x s VAL 438 Ca -0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1b1x s VAL 438 Cb -0.17 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1b1x s VAL 438 CO -0.06 0.48 0.16 0.68 0.00 0.00 0.00 175.10 176.36 1b1x s VAL 439 N -0.96 0.13 0.31 2.92 -7.23 -0.48 -0.65 120.40 114.44 1b1x s VAL 439 Ca 0.16 -1.42 -0.28 0.00 -1.81 0.00 0.00 61.98 58.63 1b1x s VAL 439 Cb -0.11 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 1b1x s VAL 439 CO 0.06 -0.59 1.13 -0.13 -0.31 0.00 0.00 175.10 175.26 1b1x s ARG 440 N -3.92 4.48 0.33 4.82 0.52 -1.26 -1.41 118.95 122.50 1b1x s ARG 440 Ca 0.11 1.83 0.04 0.00 -0.52 0.00 0.00 55.73 57.19 1b1x s ARG 440 Cb 0.05 -3.04 0.66 0.00 0.52 0.00 0.00 34.95 33.14 1b1x s ARG 440 CO -0.06 0.06 1.90 -0.22 0.02 0.00 0.00 175.30 176.99 1b1x h LYS 441 N 3.47 0.85 -0.29 3.54 1.63 -1.11 -2.84 116.57 121.82 1b1x h LYS 441 Ca -0.47 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.31 1b1x h LYS 441 Cb 1.22 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.61 1b1x h LYS 441 CO 0.66 0.56 -0.31 1.03 -3.45 0.00 0.00 179.45 177.94 1b1x h SER 442 N 0.88 -1.05 -0.51 4.20 0.87 -1.91 -3.15 113.55 112.87 1b1x h SER 442 Ca 0.41 0.14 -0.18 0.00 -1.23 0.00 0.00 61.79 60.93 1b1x h SER 442 Cb 0.41 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 1b1x h SER 442 CO -0.17 -0.20 0.49 -1.81 -0.53 0.00 0.00 176.83 174.61 1b1x s ASP 443 N -4.06 4.58 0.05 6.23 1.11 -1.07 -4.61 116.67 118.89 1b1x s ASP 443 Ca -0.07 -0.61 0.24 0.00 0.18 0.00 0.00 52.55 52.28 1b1x s ASP 443 Cb 0.05 -2.56 0.21 0.00 1.07 0.00 0.00 42.92 41.68 1b1x s ASP 443 CO 0.33 -3.33 1.18 0.00 1.18 0.00 0.00 175.17 174.53 1b1x n ALA 444 N 16.03 3.44 -0.04 5.23 0.00 -1.19 -3.97 120.51 140.00 1b1x n ALA 444 Ca 0.43 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1b1x n ALA 444 Cb 0.46 -1.04 0.22 0.00 0.00 0.00 0.00 19.45 19.09 1b1x n ALA 444 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b1x h ASP 445 N 0.00 0.59 -2.96 0.00 5.19 -1.90 -3.44 116.42 113.90 1b1x h ASP 445 Ca 0.00 -0.15 -0.53 0.00 -0.62 0.00 0.00 57.03 55.74 1b1x h ASP 445 Cb 0.66 -0.16 0.04 0.00 0.18 0.00 0.00 39.33 40.05 1b1x h ASP 445 CO 0.00 0.71 0.83 -0.22 -3.12 0.00 0.00 179.24 177.44 1b1x s LEU 446 N -8.99 4.37 0.16 1.55 2.96 -1.25 -4.98 118.68 112.50 1b1x s LEU 446 Ca -0.08 2.57 -0.03 0.00 -0.22 0.00 0.00 54.13 56.36 1b1x s LEU 446 Cb 0.15 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1b1x s LEU 446 CO 0.79 -0.77 0.15 0.28 -1.32 0.00 0.00 176.35 175.48 1b1x s THR 447 N 0.93 0.06 0.30 3.68 -1.32 -1.26 -5.02 115.64 113.00 1b1x s THR 447 Ca 0.67 -1.80 0.05 0.00 -1.21 0.00 0.00 61.69 59.40 1b1x s THR 447 Cb -0.42 -2.13 0.29 0.00 -1.51 0.00 0.00 72.50 68.73 1b1x s THR 447 CO 0.33 -0.28 1.78 -0.25 -2.21 0.00 0.00 174.62 173.99 1b1x h TRP 448 N 2.70 1.05 0.00 9.09 2.91 -1.84 -0.44 115.95 129.42 1b1x h TRP 448 Ca -0.34 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.71 1b1x h TRP 448 Cb 1.22 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 1b1x h TRP 448 CO 0.40 0.26 0.00 0.09 -1.03 0.00 0.00 178.44 178.16 1b1x n ASN 449 N -4.76 0.00 -0.30 2.65 4.13 -1.26 -2.80 115.26 112.92 1b1x n ASN 449 Ca 0.22 -0.48 0.08 0.00 1.68 0.00 0.00 54.58 56.08 1b1x n ASN 449 Cb 0.53 -0.11 0.17 0.00 -1.54 0.00 0.00 39.78 38.83 1b1x n ASN 449 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1b1x n SER 450 N -1.11 2.30 0.01 6.41 3.41 -0.18 -4.67 113.62 119.79 1b1x n SER 450 Ca 0.15 -3.32 -0.07 0.00 -0.26 0.00 0.00 58.87 55.37 1b1x n SER 450 Cb 0.12 -0.47 0.11 0.00 -0.26 0.00 0.00 64.21 63.70 1b1x n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1b1x h LEU 451 N 0.42 0.56 -8.47 1.04 3.38 -1.55 -3.43 115.31 107.25 1b1x h LEU 451 Ca 0.01 -0.26 -0.77 0.00 0.09 0.00 0.00 57.88 56.95 1b1x h LEU 451 Cb 1.06 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.68 1b1x h LEU 451 CO 0.03 0.92 0.27 -0.24 0.09 0.00 0.00 178.44 179.52 1b1x n SER 452 N -4.01 0.41 0.00 -0.43 2.88 -1.26 0.57 113.62 111.78 1b1x n SER 452 Ca -0.02 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 1b1x n SER 452 Cb 0.53 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1b1x n SER 452 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b1x n GLY 453 N 2.27 1.69 3.91 0.46 0.00 0.34 -4.93 105.19 108.92 1b1x n GLY 453 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1b1x n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b1x s LYS 454 N -0.09 2.25 0.07 1.61 -0.14 0.19 -3.63 119.74 120.00 1b1x s LYS 454 Ca 0.00 0.00 -0.17 0.00 -1.36 0.00 0.00 55.97 54.45 1b1x s LYS 454 Cb 0.00 -2.07 -0.06 0.00 -1.68 0.00 0.00 37.83 34.01 1b1x s LYS 454 CO 0.00 -1.31 0.52 0.15 -0.76 0.00 0.00 175.35 173.95 1b1x s LYS 455 N -5.37 4.06 0.04 1.68 1.02 -1.26 -1.05 119.74 118.86 1b1x s LYS 455 Ca 0.60 0.58 0.06 0.00 0.02 0.00 0.00 55.97 57.24 1b1x s LYS 455 Cb -0.11 -3.15 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1b1x s LYS 455 CO 0.47 0.61 -0.19 -1.54 -0.92 0.00 0.00 175.35 173.79 1b1x s SER 456 N -1.27 2.21 -0.20 2.83 1.04 -0.36 -1.16 113.70 116.78 1b1x s SER 456 Ca 0.30 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.22 1b1x s SER 456 Cb -0.18 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.77 1b1x s SER 456 CO 0.18 0.12 -0.12 0.00 0.98 0.00 0.00 173.24 174.40 1b1x s HIS 458 N 1.38 1.94 0.21 0.00 3.76 -0.20 -1.79 115.29 120.59 1b1x s HIS 458 Ca 0.05 -0.39 -0.09 0.00 -0.15 0.00 0.00 55.06 54.48 1b1x s HIS 458 Cb -0.14 -1.13 0.15 0.00 1.11 0.00 0.00 32.58 32.58 1b1x s HIS 458 CO -0.08 0.15 1.83 1.79 -0.85 0.00 0.00 174.74 177.58 1b1x h THR 459 N 4.23 1.23 0.00 1.30 1.35 -1.76 -3.39 112.91 115.86 1b1x h THR 459 Ca -0.45 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1b1x h THR 459 Cb 1.16 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1b1x h THR 459 CO 0.42 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1b1x n GLY 460 N -1.11 1.63 3.76 5.82 0.00 -1.26 -2.24 105.19 111.79 1b1x n GLY 460 Ca 0.07 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 1b1x n GLY 460 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b1x s VAL 461 N -2.00 4.26 0.00 1.61 -7.23 -0.55 -3.48 120.40 113.00 1b1x s VAL 461 Ca 0.00 1.87 0.00 0.00 -1.81 0.00 0.00 61.98 62.04 1b1x s VAL 461 Cb 0.00 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.72 1b1x s VAL 461 CO 0.00 0.50 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1b1x n GLY 462 N 1.59 1.70 3.84 2.32 0.00 -1.26 -4.95 105.19 108.43 1b1x n GLY 462 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1b1x n GLY 462 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b1x s ARG 463 N -0.95 3.97 0.00 1.61 0.52 -1.23 -4.20 118.95 118.67 1b1x s ARG 463 Ca 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1b1x s ARG 463 Cb 0.00 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.43 1b1x s ARG 463 CO 0.00 0.55 0.65 2.41 0.02 0.00 0.00 175.30 178.94 1b1x n THR 464 N 1.13 0.00 -0.28 0.02 -1.04 -1.26 -1.01 114.28 111.83 1b1x n THR 464 Ca -0.08 1.15 0.05 0.00 -2.04 0.00 0.00 64.05 63.14 1b1x n THR 464 Cb 0.52 -1.95 0.20 0.00 -1.82 0.00 0.00 70.33 67.27 1b1x n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b1x h ALA 465 N -1.88 1.19 -3.00 2.41 0.00 -1.94 -0.53 119.26 115.52 1b1x h ALA 465 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b1x h ALA 465 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1b1x h ALA 465 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1b1x n ALA 466 N -2.42 0.00 0.00 0.00 0.00 -1.24 -4.33 120.51 112.51 1b1x n ALA 466 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1b1x n ALA 466 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1b1x n ALA 466 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1b1x n TRP 467 N 0.00 0.00 -0.34 0.00 -0.00 -1.08 -2.83 117.44 113.19 1b1x n TRP 467 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.64 1b1x n TRP 467 Cb 0.00 0.00 0.28 0.00 -0.00 0.00 0.00 31.31 31.59 1b1x n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1b1x h ASN 468 N 0.00 -0.48 0.08 5.87 2.35 -1.12 0.33 115.58 122.61 1b1x h ASN 468 Ca 0.00 0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1b1x h ASN 468 Cb 0.00 0.48 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1b1x h ASN 468 CO 0.00 -0.35 -0.04 0.40 -1.65 0.00 0.00 177.43 175.79 1b1x h ILE 469 N 0.01 1.16 0.30 2.81 1.08 -0.93 -2.19 117.51 119.75 1b1x h ILE 469 Ca 0.59 -1.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.63 1b1x h ILE 469 Cb 1.21 2.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 1b1x h ILE 469 CO -0.91 0.32 -0.14 1.55 -0.69 0.00 0.00 178.15 178.27 1b1x h PRO 470 N -0.81 -0.38 -0.68 2.37 0.13 -1.57 -2.29 132.00 128.77 1b1x h PRO 470 Ca -0.01 0.03 0.16 0.00 -0.87 0.00 0.00 66.00 65.31 1b1x h PRO 470 Cb 0.60 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 1b1x h PRO 470 CO 0.02 -0.10 0.47 0.52 -0.23 0.00 0.00 178.00 178.68 1b1x h MET 471 N -0.66 0.19 -0.20 0.86 2.86 -1.10 0.93 114.93 117.81 1b1x h MET 471 Ca -0.04 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1b1x h MET 471 Cb 0.46 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1b1x h MET 471 CO 0.07 0.13 -0.06 0.78 1.06 0.00 0.00 176.91 178.89 1b1x h GLY 472 N 0.20 0.43 1.01 8.32 0.00 -1.28 -0.33 103.07 111.42 1b1x h GLY 472 Ca 0.33 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 1b1x h GLY 472 CO -0.06 0.33 0.13 1.41 0.00 0.00 0.00 176.54 178.35 1b1x h LEU 473 N 0.11 0.89 -0.21 3.11 3.38 -0.30 -3.07 115.31 119.23 1b1x h LEU 473 Ca 0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1b1x h LEU 473 Cb 0.51 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1b1x h LEU 473 CO 0.02 0.90 0.01 -0.07 0.09 0.00 0.00 178.44 179.39 1b1x h LEU 474 N 0.84 0.35 -2.03 1.67 3.38 -1.05 -2.40 115.31 116.06 1b1x h LEU 474 Ca 0.18 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1b1x h LEU 474 Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1b1x h LEU 474 CO 0.00 0.56 0.35 0.15 0.09 0.00 0.00 178.44 179.59 1b1x h PHE 475 N 0.13 0.00 -0.17 1.13 3.57 -1.07 0.56 116.94 121.09 1b1x h PHE 475 Ca 0.06 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 1b1x h PHE 475 Cb 0.37 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1b1x h PHE 475 CO 0.03 0.00 -0.62 -0.97 -2.23 0.00 0.00 178.31 174.52 1b1x h ASN 476 N 0.00 0.67 0.78 0.41 -1.24 -1.34 -0.69 115.58 114.16 1b1x h ASN 476 Ca 0.21 -0.38 -0.19 0.00 0.71 0.00 0.00 56.30 56.64 1b1x h ASN 476 Cb 0.91 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.74 1b1x h ASN 476 CO -0.00 1.12 -1.33 1.56 -1.29 0.00 0.00 177.43 177.49 1b1x h GLN 477 N 0.43 0.00 0.00 6.67 7.50 -0.91 -3.37 115.11 125.43 1b1x h GLN 477 Ca -0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1b1x h GLN 477 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.72 1b1x h GLN 477 CO 0.12 0.42 -1.65 0.25 -1.50 0.00 0.00 178.83 176.47 1b1x n THR 478 N -3.01 0.10 -1.05 -0.54 -2.24 0.01 -4.97 114.28 102.59 1b1x n THR 478 Ca -0.09 -0.42 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1b1x n THR 478 Cb 0.88 0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1b1x n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b1x n GLY 479 N 1.29 0.21 3.52 3.38 0.00 -0.27 -4.93 105.19 108.38 1b1x n GLY 479 Ca -0.02 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1b1x n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b1x s SER 480 N -2.07 4.26 -0.00 1.61 0.15 -1.26 -4.98 113.70 111.40 1b1x s SER 480 Ca 0.00 -0.15 0.14 0.00 0.70 0.00 0.00 55.95 56.63 1b1x s SER 480 Cb 0.00 -0.95 0.40 0.00 -1.71 0.00 0.00 66.02 63.76 1b1x s SER 480 CO 0.00 0.34 1.33 0.00 1.20 0.00 0.00 173.24 176.11 1b1x s LYS 482 N -1.42 4.05 0.29 0.00 1.02 -1.26 -4.80 119.74 117.62 1b1x s LYS 482 Ca 0.30 -2.55 0.06 0.00 0.02 0.00 0.00 55.97 53.80 1b1x s LYS 482 Cb 0.16 -5.01 0.44 0.00 -0.52 0.00 0.00 37.83 32.90 1b1x s LYS 482 CO 0.20 -1.73 1.70 0.74 -0.92 0.00 0.00 175.35 175.34 1b1x h PHE 483 N 7.28 0.31 0.00 3.18 0.04 -2.02 -3.05 116.94 122.69 1b1x h PHE 483 Ca 0.29 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1b1x h PHE 483 Cb 0.89 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.97 1b1x h PHE 483 CO 1.08 0.63 0.00 -0.40 -0.60 0.00 0.00 178.31 179.03 1b1x n ASP 484 N -4.03 0.00 -0.09 2.17 5.75 -1.26 -3.52 116.55 115.58 1b1x n ASP 484 Ca -0.01 -0.44 0.07 0.00 -0.01 0.00 0.00 54.79 54.39 1b1x n ASP 484 Cb 0.48 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.37 1b1x n ASP 484 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1b1x n LYS 485 N -1.14 2.34 0.09 0.11 5.02 -1.15 -4.65 118.16 118.77 1b1x n LYS 485 Ca 0.16 -0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.19 1b1x n LYS 485 Cb 0.14 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1b1x n LYS 485 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1b1x h PHE 486 N 0.42 -0.29 -3.58 2.13 3.04 -1.66 -3.44 116.94 113.56 1b1x h PHE 486 Ca 0.00 -0.01 -0.52 0.00 3.98 0.00 0.00 57.97 61.43 1b1x h PHE 486 Cb 0.36 0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.94 1b1x h PHE 486 CO 0.00 -0.15 0.27 -0.06 -2.02 0.00 0.00 178.31 176.35 1b1x s PHE 487 N -2.65 3.87 0.16 0.41 0.08 -1.26 -0.51 117.98 118.09 1b1x s PHE 487 Ca -0.05 1.72 -0.16 0.00 0.12 0.00 0.00 56.93 58.56 1b1x s PHE 487 Cb 0.00 -2.91 0.09 0.00 -0.57 0.00 0.00 43.02 39.63 1b1x s PHE 487 CO 0.17 0.37 1.73 0.66 -0.10 0.00 0.00 175.22 178.05 1b1x h SER 488 N 4.87 0.01 -5.05 1.36 4.64 -1.16 -3.45 113.55 114.78 1b1x h SER 488 Ca -0.45 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 60.84 1b1x h SER 488 Cb 1.21 0.09 -0.17 0.00 -0.31 0.00 0.00 62.40 63.21 1b1x h SER 488 CO 0.69 0.04 -0.27 -1.10 -0.87 0.00 0.00 176.83 175.32 1b1x s GLN 489 N -6.16 0.77 0.26 4.77 -0.21 -1.26 -4.95 119.66 112.88 1b1x s GLN 489 Ca -0.13 -0.48 -0.16 0.00 0.02 0.00 0.00 55.36 54.61 1b1x s GLN 489 Cb 0.13 0.33 0.01 0.00 1.00 0.00 0.00 33.01 34.48 1b1x s GLN 489 CO 0.71 -0.24 0.58 -1.12 -2.12 0.00 0.00 175.29 173.10 1b1x s SER 490 N -1.97 -0.14 -0.14 5.90 0.01 -0.58 -1.23 113.70 115.56 1b1x s SER 490 Ca -0.06 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 56.38 1b1x s SER 490 Cb -0.01 0.65 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1b1x s SER 490 CO -0.02 -1.23 -0.07 0.00 0.41 0.00 0.00 173.24 172.32 1b1x s ALA 492 N 1.64 0.06 0.22 0.00 0.00 0.07 -1.03 121.76 122.73 1b1x s ALA 492 Ca 0.03 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.23 1b1x s ALA 492 Cb -0.14 -1.95 -0.15 0.00 0.00 0.00 0.00 23.12 20.89 1b1x s ALA 492 CO -0.08 -2.11 1.08 -2.30 0.00 0.00 0.00 175.76 172.35 1b1x n PRO 493 N 3.64 1.22 0.00 0.00 -0.02 -1.26 -2.11 135.00 136.48 1b1x n PRO 493 Ca 0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1b1x n PRO 493 Cb 0.46 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1b1x n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b1x n GLY 494 N 1.70 2.73 3.59 -1.23 0.00 0.73 -1.49 105.19 111.22 1b1x n GLY 494 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1b1x n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b1x s ALA 495 N -2.46 0.54 0.02 4.61 0.00 -0.90 -4.92 121.76 118.65 1b1x s ALA 495 Ca 0.00 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1b1x s ALA 495 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 1b1x s ALA 495 CO 0.00 -3.52 1.68 0.34 0.00 0.00 0.00 175.76 174.26 1b1x s ASP 496 N -3.72 6.62 0.62 0.00 2.15 -1.26 -4.87 116.67 116.21 1b1x s ASP 496 Ca 0.70 2.40 0.28 0.00 0.43 0.00 0.00 52.55 56.36 1b1x s ASP 496 Cb -0.12 -2.55 1.49 0.00 -0.30 0.00 0.00 42.92 41.44 1b1x s ASP 496 CO 0.57 -0.91 1.88 1.55 -0.17 0.00 0.00 175.17 178.08 1b1x h PRO 497 N 9.00 0.00 -0.47 4.34 0.13 -1.93 -0.64 132.00 142.44 1b1x h PRO 497 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1b1x h PRO 497 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1b1x h PRO 497 CO 0.94 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.75 1b1x n GLN 498 N -3.33 3.49 -4.10 0.86 6.02 -1.26 -4.82 117.38 114.24 1b1x n GLN 498 Ca 0.04 -2.76 -0.22 0.00 -0.01 0.00 0.00 57.00 54.05 1b1x n GLN 498 Cb 0.56 -1.81 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 1b1x n GLN 498 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1b1x s SER 499 N -1.21 5.59 0.56 1.08 1.04 -0.25 -5.00 113.70 115.50 1b1x s SER 499 Ca 0.44 -0.22 0.28 0.00 0.48 0.00 0.00 55.95 56.92 1b1x s SER 499 Cb 0.31 -1.44 1.47 0.00 0.10 0.00 0.00 66.02 66.45 1b1x s SER 499 CO 0.17 -0.04 1.97 0.77 0.98 0.00 0.00 173.24 177.09 1b1x h SER 500 N 1.50 0.00 0.03 7.02 4.64 -1.86 -0.95 113.55 123.93 1b1x h SER 500 Ca -0.49 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1b1x h SER 500 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1b1x h SER 500 CO 0.61 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.48 1b1x h LEU 501 N 0.00 0.00 -3.18 5.97 3.38 -1.84 0.56 115.31 120.19 1b1x h LEU 501 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1b1x h LEU 501 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1b1x h LEU 501 CO -0.00 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1b1x h ALA 503 N 4.02 0.60 -0.02 0.00 0.00 0.10 -3.27 119.26 120.70 1b1x h ALA 503 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1b1x h ALA 503 Cb 1.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1b1x h ALA 503 CO 0.26 0.68 -0.15 1.28 0.00 0.00 0.00 179.25 181.31 1b1x n LEU 504 N -4.02 1.93 -4.76 0.00 4.77 0.10 -4.93 117.00 110.08 1b1x n LEU 504 Ca -0.03 -0.64 -0.34 0.00 -0.03 0.00 0.00 56.01 54.97 1b1x n LEU 504 Cb 0.58 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1b1x n LEU 504 CO 0.48 0.33 0.77 0.00 -1.33 0.00 0.00 177.39 177.65 1b1x n VAL 506 N -2.12 0.00 -4.66 0.00 0.31 -1.26 -4.81 118.33 105.79 1b1x n VAL 506 Ca 0.11 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1b1x n VAL 506 Cb 0.51 1.01 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 1b1x n VAL 506 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b1x n GLY 507 N 0.56 -0.81 0.07 2.92 0.00 -1.26 -4.44 105.19 102.24 1b1x n GLY 507 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 1b1x n GLY 507 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b1x n ASN 508 N -1.77 -0.33 -0.16 1.61 0.23 0.11 -2.05 115.26 112.90 1b1x n ASN 508 Ca 0.00 -0.85 0.03 0.00 -0.53 0.00 0.00 54.58 53.23 1b1x n ASN 508 Cb 0.00 -0.02 0.31 0.00 -2.08 0.00 0.00 39.78 37.99 1b1x n ASN 508 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1b1x h ASN 509 N -0.36 0.74 -0.70 0.53 2.35 -1.88 -0.15 115.58 116.12 1b1x h ASN 509 Ca -0.01 -0.01 -0.36 0.00 -0.55 0.00 0.00 56.30 55.37 1b1x h ASN 509 Cb 0.02 -0.18 -0.21 0.00 0.05 0.00 0.00 38.32 38.00 1b1x h ASN 509 CO 0.01 0.52 0.46 -0.62 -1.65 0.00 0.00 177.43 176.15 1b1x n GLU 510 N -4.45 1.93 -2.67 0.81 1.02 -1.26 -4.90 120.64 111.13 1b1x n GLU 510 Ca 0.08 -2.14 -0.15 0.00 -0.02 0.00 0.00 57.16 54.93 1b1x n GLU 510 Cb 0.08 -1.84 -0.00 0.00 -0.02 0.00 0.00 31.44 29.65 1b1x n GLU 510 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1b1x n ASN 511 N -0.65 -4.05 -4.92 1.62 3.02 -0.07 -4.98 115.26 105.24 1b1x n ASN 511 Ca 0.42 0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.81 1b1x n ASN 511 Cb 1.33 -3.41 -0.02 0.00 -0.61 0.00 0.00 39.78 37.07 1b1x n ASN 511 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1b1x s GLU 512 N -5.27 2.78 -1.18 3.52 0.41 -1.26 -4.59 118.70 113.10 1b1x s GLU 512 Ca 0.10 -1.29 -0.03 0.00 -0.41 0.00 0.00 54.97 53.34 1b1x s GLU 512 Cb -0.05 -2.57 -0.02 0.00 -1.78 0.00 0.00 34.13 29.71 1b1x s GLU 512 CO 0.12 -0.05 0.88 0.09 -0.49 0.00 0.00 175.26 175.82 1b1x n ASN 513 N -1.56 -3.26 -4.72 -0.19 5.03 -1.26 0.06 115.26 109.36 1b1x n ASN 513 Ca 0.02 -0.73 -0.42 0.00 0.87 0.00 0.00 54.58 54.32 1b1x n ASN 513 Cb 0.60 -4.73 -0.03 0.00 -1.02 0.00 0.00 39.78 34.59 1b1x n ASN 513 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1b1x s LYS 514 N -5.32 4.55 0.00 3.52 2.20 -1.26 -3.61 119.74 119.82 1b1x s LYS 514 Ca 0.16 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 1b1x s LYS 514 Cb -0.03 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1b1x s LYS 514 CO 0.76 -0.04 0.00 0.00 -0.36 0.00 0.00 175.35 175.71 1b1x n MET 516 N -2.00 2.47 -1.87 0.00 1.56 -1.24 -0.19 117.12 115.85 1b1x n MET 516 Ca 0.00 0.88 -0.41 0.00 -0.27 0.00 0.00 57.70 57.90 1b1x n MET 516 Cb 0.00 -2.60 -0.01 0.00 2.15 0.00 0.00 33.22 32.76 1b1x n MET 516 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1b1x n PRO 517 N 1.82 3.61 -3.80 2.12 -0.04 -1.26 -4.44 135.00 133.01 1b1x n PRO 517 Ca 0.08 -2.96 -0.05 0.00 -0.04 0.00 0.00 63.50 60.54 1b1x n PRO 517 Cb 0.35 -2.94 -0.02 0.00 -0.04 0.00 0.00 33.50 30.85 1b1x n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b1x s ASN 518 N 1.72 -0.21 0.61 3.54 2.20 -1.26 -4.55 114.94 116.99 1b1x s ASN 518 Ca 0.51 -0.50 0.28 0.00 -0.94 0.00 0.00 52.86 52.21 1b1x s ASN 518 Cb 0.14 0.60 1.45 0.00 -2.00 0.00 0.00 41.25 41.44 1b1x s ASN 518 CO -0.06 -1.10 1.85 0.77 -2.94 0.00 0.00 177.10 175.62 1b1x h SER 519 N 2.00 0.00 -0.91 3.54 4.64 -1.88 -2.59 113.55 118.35 1b1x h SER 519 Ca -0.22 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.27 1b1x h SER 519 Cb 1.24 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 1b1x h SER 519 CO 0.24 0.00 0.58 -0.33 -0.87 0.00 0.00 176.83 176.46 1b1x h GLU 520 N 0.00 0.62 -6.48 4.77 4.39 -1.93 -3.34 114.58 112.59 1b1x h GLU 520 Ca 0.16 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 59.26 1b1x h GLU 520 Cb 1.14 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.58 1b1x h GLU 520 CO -0.00 0.41 0.90 -2.00 -1.16 0.00 0.00 179.01 177.16 1b1x s GLU 521 N -5.64 3.90 0.64 2.33 2.56 -0.98 -1.85 118.70 119.66 1b1x s GLU 521 Ca -0.10 0.88 0.40 0.00 0.00 0.00 0.00 54.97 56.15 1b1x s GLU 521 Cb 0.23 -3.83 2.17 0.00 2.00 0.00 0.00 34.13 34.69 1b1x s GLU 521 CO 0.79 -1.14 2.22 0.00 -0.56 0.00 0.00 175.26 176.57 1b1x h ARG 522 N 8.75 0.00 -0.37 4.30 3.08 -1.55 0.32 114.38 128.92 1b1x h ARG 522 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1b1x h ARG 522 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1b1x h ARG 522 CO 1.07 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.63 1b1x n TYR 523 N -2.97 0.47 -2.04 3.04 4.02 -1.26 -4.27 117.16 114.15 1b1x n TYR 523 Ca -0.03 -0.23 -0.34 0.00 -0.01 0.00 0.00 57.90 57.29 1b1x n TYR 523 Cb 0.14 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1b1x n TYR 523 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1b1x s TYR 524 N -1.53 2.77 0.02 -0.72 5.04 0.10 -2.28 117.35 120.75 1b1x s TYR 524 Ca 0.38 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.55 1b1x s TYR 524 Cb 0.23 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.39 1b1x s TYR 524 CO 0.32 -1.42 0.00 0.41 -1.34 0.00 0.00 175.55 173.52 1b1x n GLY 525 N -0.44 -2.20 0.20 8.97 0.00 -0.95 -1.36 105.19 109.41 1b1x n GLY 525 Ca 0.10 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 1b1x n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1b1x h TYR 526 N -0.10 0.63 0.37 1.61 0.05 -1.91 0.10 116.97 117.72 1b1x h TYR 526 Ca 0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 1b1x h TYR 526 Cb 0.10 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1b1x h TYR 526 CO 0.00 0.44 -0.18 1.15 -1.05 0.00 0.00 178.16 178.52 1b1x h THR 527 N 0.63 0.63 -0.95 -2.88 2.02 -1.89 -1.99 112.91 108.48 1b1x h THR 527 Ca 0.17 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.01 1b1x h THR 527 Cb -0.00 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1b1x h THR 527 CO -0.03 0.07 0.62 1.23 0.37 0.00 0.00 175.52 177.78 1b1x h GLY 528 N -0.73 1.40 0.98 2.16 0.00 -1.13 -0.32 103.07 105.44 1b1x h GLY 528 Ca -0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1b1x h GLY 528 CO 0.08 0.37 0.23 0.00 0.00 0.00 0.00 176.54 177.23 1b1x h ALA 529 N 1.46 0.72 -0.50 3.60 0.00 -0.35 0.81 119.26 125.00 1b1x h ALA 529 Ca 0.39 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1b1x h ALA 529 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1b1x h ALA 529 CO -0.13 0.31 0.11 0.35 0.00 0.00 0.00 179.25 179.89 1b1x h PHE 530 N 0.75 0.84 -0.52 0.00 3.57 -0.53 -2.56 116.94 118.49 1b1x h PHE 530 Ca 0.19 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1b1x h PHE 530 Cb 0.18 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1b1x h PHE 530 CO 0.00 0.76 0.28 -0.09 -2.23 0.00 0.00 178.31 177.04 1b1x h ARG 531 N 0.68 0.54 -0.87 1.11 2.43 -0.63 0.72 114.38 118.36 1b1x h ARG 531 Ca 0.15 -0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.46 1b1x h ARG 531 Cb 0.35 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 1b1x h ARG 531 CO 0.00 0.36 0.57 0.00 -1.51 0.00 0.00 179.97 179.39 1b1x h LEU 533 N 0.51 0.69 0.21 0.00 5.85 -0.69 -1.09 115.31 120.79 1b1x h LEU 533 Ca 0.44 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1b1x h LEU 533 Cb 0.94 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1b1x h LEU 533 CO -0.18 1.31 -0.10 0.00 -0.34 0.00 0.00 178.44 179.13 1b1x h ALA 534 N 0.39 -0.28 0.00 1.25 0.00 0.15 -2.02 119.26 118.76 1b1x h ALA 534 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b1x h ALA 534 Cb 1.39 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1b1x h ALA 534 CO 0.14 -0.58 0.00 0.39 0.00 0.00 0.00 179.25 179.20 1b1x n GLU 535 N -5.14 0.51 -2.57 0.00 1.02 0.12 -4.78 120.64 109.80 1b1x n GLU 535 Ca -0.09 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.89 1b1x n GLU 535 Cb 0.19 -1.10 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1b1x n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1b1x n LYS 536 N -0.20 -2.43 0.16 3.49 5.02 -0.76 -4.83 118.16 118.61 1b1x n LYS 536 Ca 0.00 0.71 0.12 0.00 -2.02 0.00 0.00 58.31 57.12 1b1x n LYS 536 Cb 0.05 -5.35 0.16 0.00 -0.02 0.00 0.00 35.03 29.87 1b1x n LYS 536 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b1x h ALA 537 N 1.00 0.82 -2.54 7.82 0.00 -1.42 -3.47 119.26 121.47 1b1x h ALA 537 Ca -0.37 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.32 1b1x h ALA 537 Cb 1.27 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1b1x h ALA 537 CO 0.44 0.00 -0.61 0.20 0.00 0.00 0.00 179.25 179.28 1b1x s GLY 538 N -4.10 1.25 -0.05 0.00 0.00 -0.93 -4.90 107.32 98.60 1b1x s GLY 538 Ca 0.05 -1.59 0.13 0.00 0.00 0.00 0.00 44.72 43.31 1b1x s GLY 538 CO 0.70 -1.36 0.22 1.22 0.00 0.00 0.00 173.10 173.87 1b1x n ASP 539 N -0.21 1.85 -3.93 1.64 8.00 -0.31 -4.56 116.55 119.02 1b1x n ASP 539 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 1b1x n ASP 539 Cb 0.65 1.36 -0.15 0.00 -0.02 0.00 0.00 41.12 42.96 1b1x n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b1x s VAL 540 N -2.74 0.39 -0.07 2.53 0.11 -0.98 -4.51 120.40 115.13 1b1x s VAL 540 Ca -0.05 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 1b1x s VAL 540 Cb 0.07 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 1b1x s VAL 540 CO 0.56 0.13 -0.19 0.00 -3.33 0.00 0.00 175.10 172.27 1b1x s ALA 541 N 0.16 1.70 -0.45 1.54 0.00 0.17 -0.77 121.76 124.12 1b1x s ALA 541 Ca -0.01 -0.73 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1b1x s ALA 541 Cb -0.05 -0.63 0.07 0.00 0.00 0.00 0.00 23.12 22.51 1b1x s ALA 541 CO -0.00 0.25 0.33 -0.06 0.00 0.00 0.00 175.76 176.28 1b1x s PHE 542 N 0.30 3.28 0.14 0.00 0.08 -0.74 -0.30 117.98 120.73 1b1x s PHE 542 Ca -0.12 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.81 1b1x s PHE 542 Cb -0.15 -3.03 -0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1b1x s PHE 542 CO 0.05 -0.80 0.17 1.33 -0.10 0.00 0.00 175.22 175.87 1b1x n VAL 543 N 5.09 0.00 -3.90 -0.44 0.24 -0.62 -4.03 118.33 114.67 1b1x n VAL 543 Ca -0.12 -0.78 -0.33 0.00 -2.04 0.00 0.00 64.34 61.08 1b1x n VAL 543 Cb 0.44 0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 33.21 1b1x n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1b1x s LYS 544 N -2.38 3.45 0.31 7.34 -2.85 -1.26 0.15 119.74 124.50 1b1x s LYS 544 Ca 0.13 -0.32 0.04 0.00 -1.00 0.00 0.00 55.97 54.81 1b1x s LYS 544 Cb -0.00 -3.09 0.81 0.00 -2.06 0.00 0.00 37.83 33.49 1b1x s LYS 544 CO 0.09 0.67 1.59 0.38 0.10 0.00 0.00 175.35 178.18 1b1x h ASP 545 N 3.73 -0.28 -0.01 0.03 2.03 -1.84 -0.74 116.42 119.34 1b1x h ASP 545 Ca -0.48 0.26 0.00 0.00 -0.73 0.00 0.00 57.03 56.08 1b1x h ASP 545 Cb 1.18 0.41 -0.00 0.00 -0.83 0.00 0.00 39.33 40.10 1b1x h ASP 545 CO 0.70 -0.32 0.01 0.58 -1.03 0.00 0.00 179.24 179.17 1b1x h VAL 546 N 0.05 0.79 -0.93 4.15 2.07 -1.95 -2.76 116.25 117.68 1b1x h VAL 546 Ca 0.62 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.17 1b1x h VAL 546 Cb 1.33 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 1b1x h VAL 546 CO -0.84 0.00 0.61 0.74 0.02 0.00 0.00 177.57 178.10 1b1x h THR 547 N 0.00 1.16 0.36 2.57 2.02 -1.53 -0.42 112.91 117.07 1b1x h THR 547 Ca 0.00 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1b1x h THR 547 Cb 0.02 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1b1x h THR 547 CO -0.00 0.21 -0.17 0.58 0.37 0.00 0.00 175.52 176.51 1b1x h VAL 548 N 1.17 0.58 -1.08 3.16 2.07 -1.64 -3.15 116.25 117.36 1b1x h VAL 548 Ca 0.37 -0.58 0.29 0.00 0.82 0.00 0.00 66.70 67.59 1b1x h VAL 548 Cb 0.00 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.52 1b1x h VAL 548 CO -0.11 0.10 0.70 -0.07 0.02 0.00 0.00 177.57 178.21 1b1x h LEU 549 N -0.84 0.39 -0.60 2.57 3.38 -1.42 0.62 115.31 119.40 1b1x h LEU 549 Ca -0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1b1x h LEU 549 Cb 0.53 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1b1x h LEU 549 CO 0.08 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1b1x n GLN 550 N -4.60 1.41 0.00 1.13 6.02 -0.23 -4.04 117.38 117.08 1b1x n GLN 550 Ca 0.27 -0.60 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 1b1x n GLN 550 Cb 0.96 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.75 1b1x n GLN 550 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1b1x n ASN 551 N -0.26 0.59 -4.70 1.08 3.02 0.17 -4.00 115.26 111.16 1b1x n ASN 551 Ca 0.20 -1.18 -0.25 0.00 -0.03 0.00 0.00 54.58 53.33 1b1x n ASN 551 Cb 0.26 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1b1x n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1b1x s THR 552 N -0.18 2.36 -1.41 3.41 -4.23 -0.95 -4.55 115.64 110.10 1b1x s THR 552 Ca 0.00 -1.80 -0.06 0.00 -1.18 0.00 0.00 61.69 58.65 1b1x s THR 552 Cb 0.00 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1b1x s THR 552 CO 0.00 -0.05 0.74 0.47 -0.54 0.00 0.00 174.62 175.23 1b1x n ASP 553 N -1.13 -5.95 0.00 3.99 8.00 0.33 -3.37 116.55 118.41 1b1x n ASP 553 Ca -0.02 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1b1x n ASP 553 Cb 0.64 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1b1x n ASP 553 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b1x n GLY 554 N -1.62 0.10 0.25 0.44 0.00 -1.13 -4.85 105.19 98.39 1b1x n GLY 554 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1b1x n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b1x h LYS 555 N 0.26 0.22 -4.75 1.61 1.57 -1.84 -3.32 116.57 110.31 1b1x h LYS 555 Ca 0.00 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 58.06 1b1x h LYS 555 Cb 0.47 -0.04 -0.28 0.00 0.08 0.00 0.00 32.23 32.47 1b1x h LYS 555 CO 0.00 0.28 -0.62 1.21 -0.57 0.00 0.00 179.45 179.75 1b1x s ASN 556 N -6.90 5.17 -0.03 0.86 3.04 -1.26 -4.97 114.94 110.87 1b1x s ASN 556 Ca -0.06 -0.93 0.15 0.00 0.04 0.00 0.00 52.86 52.06 1b1x s ASN 556 Cb 0.16 -1.86 0.48 0.00 -1.54 0.00 0.00 41.25 38.48 1b1x s ASN 556 CO 0.72 -0.25 1.38 -1.54 -3.04 0.00 0.00 177.10 174.36 1b1x n SER 557 N 4.83 3.02 -4.77 -4.21 3.41 -1.25 -1.56 113.62 113.09 1b1x n SER 557 Ca -0.14 -2.10 -0.41 0.00 -0.26 0.00 0.00 58.87 55.96 1b1x n SER 557 Cb 0.46 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1b1x n SER 557 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1b1x s GLU 558 N -1.46 4.17 0.18 4.33 2.02 -1.26 -4.47 118.70 122.20 1b1x s GLU 558 Ca 0.35 2.49 -0.07 0.00 0.02 0.00 0.00 54.97 57.76 1b1x s GLU 558 Cb 0.20 -3.00 0.26 0.00 0.10 0.00 0.00 34.13 31.69 1b1x s GLU 558 CO 0.22 -0.46 1.04 -2.30 0.02 0.00 0.00 175.26 173.77 1b1x n PRO 559 N 0.66 -0.09 0.07 0.39 -0.02 -1.26 -0.11 135.00 134.65 1b1x n PRO 559 Ca 0.01 1.03 -0.01 0.00 -2.02 0.00 0.00 63.50 62.52 1b1x n PRO 559 Cb 0.40 -1.54 0.28 0.00 -0.02 0.00 0.00 33.50 32.61 1b1x n PRO 559 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1b1x h TRP 560 N 0.00 0.35 0.00 6.00 5.08 -1.95 -3.33 115.95 122.10 1b1x h TRP 560 Ca 0.29 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 60.20 1b1x h TRP 560 Cb 0.46 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.53 1b1x h TRP 560 CO -0.53 0.55 -0.11 0.00 -1.28 0.00 0.00 178.44 177.07 1b1x h ALA 561 N 1.45 0.00 0.00 0.11 0.00 -0.76 -3.43 119.26 116.63 1b1x h ALA 561 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1b1x h ALA 561 Cb 0.60 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1b1x h ALA 561 CO 0.04 0.11 0.00 1.17 0.00 0.00 0.00 179.25 180.57 1b1x n LYS 562 N -3.78 0.00 -0.02 0.00 4.81 -0.13 0.11 118.16 119.14 1b1x n LYS 562 Ca -0.02 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.54 1b1x n LYS 562 Cb 0.06 0.00 0.56 0.00 0.02 0.00 0.00 35.03 35.67 1b1x n LYS 562 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1b1x n ASP 563 N 0.00 0.66 -4.76 3.14 8.00 -1.26 -2.85 116.55 119.47 1b1x n ASP 563 Ca 0.00 -1.45 -0.34 0.00 0.71 0.00 0.00 54.79 53.72 1b1x n ASP 563 Cb 0.00 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.12 1b1x n ASP 563 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1b1x s LEU 564 N -1.69 3.43 -0.01 0.64 1.43 0.30 -4.85 118.68 117.92 1b1x s LEU 564 Ca 0.33 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1b1x s LEU 564 Cb 0.16 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.83 1b1x s LEU 564 CO 0.27 -1.72 -0.03 -0.54 0.23 0.00 0.00 176.35 174.55 1b1x s LYS 565 N -3.93 0.38 0.42 1.70 1.02 -1.26 0.12 119.74 118.19 1b1x s LYS 565 Ca 0.70 -0.09 0.25 0.00 0.02 0.00 0.00 55.97 56.85 1b1x s LYS 565 Cb -0.23 -0.42 1.36 0.00 -0.52 0.00 0.00 37.83 38.02 1b1x s LYS 565 CO 0.40 0.01 1.74 1.96 -0.92 0.00 0.00 175.35 178.55 1b1x h GLN 566 N 6.48 0.00 0.00 1.68 4.20 -1.93 0.83 115.11 126.37 1b1x h GLN 566 Ca -0.33 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.21 1b1x h GLN 566 Cb 1.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1b1x h GLN 566 CO 0.49 0.00 -0.85 0.93 -0.67 0.00 0.00 178.83 178.73 1b1x h GLU 567 N 0.00 0.00 0.00 1.46 4.39 -2.02 -3.12 114.58 115.29 1b1x h GLU 567 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1b1x h GLU 567 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1b1x h GLU 567 CO 0.00 0.85 0.00 -0.25 -1.16 0.00 0.00 179.01 178.45 1b1x n ASP 568 N -3.36 0.17 -4.32 1.42 8.00 0.29 -4.75 116.55 114.00 1b1x n ASP 568 Ca 0.00 0.55 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 1b1x n ASP 568 Cb 0.87 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 41.23 1b1x n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b1x s PHE 569 N -3.10 2.25 0.16 1.24 0.08 -1.18 -0.54 117.98 116.89 1b1x s PHE 569 Ca 0.05 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.71 1b1x s PHE 569 Cb 0.08 -1.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 1b1x s PHE 569 CO 0.25 0.07 -0.05 -1.21 -0.10 0.00 0.00 175.22 174.18 1b1x s GLU 570 N -1.01 1.08 0.07 0.44 2.02 -0.50 -3.49 118.70 117.30 1b1x s GLU 570 Ca 0.11 -1.49 0.05 0.00 0.02 0.00 0.00 54.97 53.65 1b1x s GLU 570 Cb -0.10 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.66 1b1x s GLU 570 CO 0.01 -0.03 -0.03 -0.51 0.02 0.00 0.00 175.26 174.72 1b1x s LEU 571 N -3.17 3.34 -0.34 1.80 1.43 -0.15 -1.38 118.68 120.21 1b1x s LEU 571 Ca 0.20 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 1b1x s LEU 571 Cb 0.05 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1b1x s LEU 571 CO 0.02 0.20 0.33 -0.76 0.23 0.00 0.00 176.35 176.37 1b1x s LEU 572 N -2.10 4.47 0.29 1.79 1.43 -0.33 -2.46 118.68 121.77 1b1x s LEU 572 Ca 0.23 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 1b1x s LEU 572 Cb -0.11 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.74 1b1x s LEU 572 CO 0.15 -0.31 0.72 0.00 0.23 0.00 0.00 176.35 177.14 1b1x h LEU 574 N 2.55 0.00 -3.52 0.00 3.38 -1.86 -1.71 115.31 114.14 1b1x h LEU 574 Ca -0.48 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.08 1b1x h LEU 574 Cb 1.18 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 1b1x h LEU 574 CO 0.66 0.00 0.52 -0.90 0.09 0.00 0.00 178.44 178.81 1b1x n ASP 575 N -3.46 4.40 0.00 -0.43 5.75 -1.26 -4.86 116.55 116.69 1b1x n ASP 575 Ca 0.02 -3.23 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 1b1x n ASP 575 Cb 0.41 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1b1x n ASP 575 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b1x n GLY 576 N -0.60 2.04 3.79 6.12 0.00 -0.64 -4.98 105.19 110.91 1b1x n GLY 576 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 1b1x n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b1x s THR 577 N -2.25 1.99 -0.03 2.61 2.01 -1.25 -4.71 115.64 114.02 1b1x s THR 577 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1b1x s THR 577 Cb 0.00 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.79 1b1x s THR 577 CO 0.00 0.00 0.04 -0.13 -0.69 0.00 0.00 174.62 173.84 1b1x s ARG 578 N -5.29 -0.05 0.16 4.92 0.52 -1.26 -1.08 118.95 116.86 1b1x s ARG 578 Ca 0.64 0.26 0.09 0.00 -0.52 0.00 0.00 55.73 56.21 1b1x s ARG 578 Cb -0.14 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 34.93 1b1x s ARG 578 CO 0.53 -0.23 -0.21 0.15 0.02 0.00 0.00 175.30 175.56 1b1x s LYS 579 N 1.51 1.31 1.01 3.54 -0.14 -1.03 -4.95 119.74 120.99 1b1x s LYS 579 Ca -0.03 -1.38 -0.11 0.00 -1.36 0.00 0.00 55.97 53.09 1b1x s LYS 579 Cb -0.13 -1.52 0.20 0.00 -1.68 0.00 0.00 37.83 34.70 1b1x s LYS 579 CO -0.03 0.33 1.10 -2.14 -0.76 0.00 0.00 175.35 173.85 1b1x s PRO 580 N -2.50 0.26 0.60 -1.68 0.02 -1.26 -0.98 135.00 129.46 1b1x s PRO 580 Ca 0.15 1.31 0.31 0.00 0.02 0.00 0.00 61.00 62.79 1b1x s PRO 580 Cb -0.08 -1.66 1.71 0.00 0.02 0.00 0.00 34.50 34.50 1b1x s PRO 580 CO 0.07 -3.07 1.95 0.28 -0.33 0.00 0.00 177.00 175.90 1b1x h VAL 581 N -2.18 0.00 0.00 3.83 2.07 -1.79 0.87 116.25 119.05 1b1x h VAL 581 Ca -0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1b1x h VAL 581 Cb 1.29 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1b1x h VAL 581 CO 0.44 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.92 1b1x h ALA 582 N 1.56 0.94 -0.19 1.67 0.00 -1.92 -3.26 119.26 118.06 1b1x h ALA 582 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b1x h ALA 582 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1b1x h ALA 582 CO 0.00 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.69 1b1x n GLU 583 N -3.07 1.70 -0.31 0.00 -0.58 0.30 -4.45 120.64 114.22 1b1x n GLU 583 Ca 0.03 -0.80 0.31 0.00 -0.42 0.00 0.00 57.16 56.29 1b1x n GLU 583 Cb 0.55 -1.36 0.67 0.00 -0.57 0.00 0.00 31.44 30.73 1b1x n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b1x h ALA 584 N 3.09 2.82 0.00 0.62 0.00 -1.71 0.18 119.26 124.26 1b1x h ALA 584 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1b1x h ALA 584 Cb 0.50 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1b1x h ALA 584 CO 0.05 -1.18 -0.03 0.93 0.00 0.00 0.00 179.25 179.02 1b1x h GLU 585 N 0.12 0.00 -0.14 0.00 4.39 -1.92 -0.97 114.58 116.07 1b1x h GLU 585 Ca 0.57 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.27 1b1x h GLU 585 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 1b1x h GLU 585 CO -0.11 0.03 0.00 0.43 -1.16 0.00 0.00 179.01 178.20 1b1x n SER 586 N -3.46 2.65 -2.87 1.42 7.64 0.58 -4.77 113.62 114.81 1b1x n SER 586 Ca -0.02 -2.42 -0.12 0.00 1.01 0.00 0.00 58.87 57.31 1b1x n SER 586 Cb 0.13 -0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1b1x n SER 586 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b1x s HIS 588 N 0.07 1.46 -0.11 0.00 -0.00 -1.14 -4.50 115.29 111.06 1b1x s HIS 588 Ca 0.32 -1.03 0.16 0.00 -0.00 0.00 0.00 55.06 54.51 1b1x s HIS 588 Cb 0.23 -0.85 -0.21 0.00 -0.00 0.00 0.00 32.58 31.75 1b1x s HIS 588 CO -0.18 -0.18 0.57 1.28 -0.00 0.00 0.00 174.74 176.22 1b1x n LEU 589 N -0.39 0.58 -3.61 5.38 4.77 -0.66 -4.58 117.00 118.50 1b1x n LEU 589 Ca -0.04 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1b1x n LEU 589 Cb 0.64 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.92 1b1x n LEU 589 CO 0.36 0.29 1.06 0.00 -1.33 0.00 0.00 177.39 177.77 1b1x s ALA 590 N -2.78 -2.21 -0.32 -1.18 0.00 -1.23 -5.00 121.76 109.05 1b1x s ALA 590 Ca -0.06 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1b1x s ALA 590 Cb 0.08 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1b1x s ALA 590 CO 0.83 -0.93 0.09 0.50 0.00 0.00 0.00 175.76 176.25 1b1x s ARG 591 N -2.39 2.84 0.36 0.00 6.06 -1.26 0.57 118.95 125.13 1b1x s ARG 591 Ca 0.13 -1.03 0.05 0.00 -2.50 0.00 0.00 55.73 52.38 1b1x s ARG 591 Cb 0.03 -3.40 -0.01 0.00 0.06 0.00 0.00 34.95 31.63 1b1x s ARG 591 CO -0.04 -0.56 0.52 0.00 -2.50 0.00 0.00 175.30 172.72 1b1x s ALA 592 N 1.44 4.13 0.11 6.12 0.00 0.68 -4.90 121.76 129.34 1b1x s ALA 592 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.34 1b1x s ALA 592 Cb -0.18 -1.78 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 1b1x s ALA 592 CO 0.02 -0.12 0.76 -2.14 0.00 0.00 0.00 175.76 174.29 1b1x s PRO 593 N -4.26 4.52 0.84 0.00 0.02 -1.26 -2.26 135.00 132.59 1b1x s PRO 593 Ca 0.46 1.10 -0.13 0.00 0.02 0.00 0.00 61.00 62.45 1b1x s PRO 593 Cb -0.10 -3.31 0.08 0.00 0.02 0.00 0.00 34.50 31.20 1b1x s PRO 593 CO 0.33 0.44 1.05 0.09 -0.33 0.00 0.00 177.00 178.58 1b1x n ASN 594 N 2.17 0.39 -4.72 2.53 4.13 -1.26 -4.25 115.26 114.24 1b1x n ASN 594 Ca -0.04 0.53 -0.32 0.00 1.68 0.00 0.00 54.58 56.43 1b1x n ASN 594 Cb 0.49 -1.45 0.13 0.00 -1.54 0.00 0.00 39.78 37.41 1b1x n ASN 594 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1b1x s HIS 595 N -2.23 2.04 -0.02 3.10 3.76 -1.26 -4.52 115.29 116.16 1b1x s HIS 595 Ca 0.70 1.68 -0.07 0.00 -0.15 0.00 0.00 55.06 57.22 1b1x s HIS 595 Cb -0.28 -3.25 0.01 0.00 1.11 0.00 0.00 32.58 30.17 1b1x s HIS 595 CO 0.55 -2.39 0.16 0.00 -0.85 0.00 0.00 174.74 172.20 1b1x s ALA 596 N -2.63 -0.38 0.25 -1.40 0.00 -0.01 -1.57 121.76 116.02 1b1x s ALA 596 Ca 0.66 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1b1x s ALA 596 Cb -0.22 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 1b1x s ALA 596 CO 0.55 -0.16 1.02 0.08 0.00 0.00 0.00 175.76 177.24 1b1x s VAL 597 N -0.82 3.82 0.09 0.00 1.01 -0.06 -0.24 120.40 124.21 1b1x s VAL 597 Ca -0.09 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.75 1b1x s VAL 597 Cb -0.05 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1b1x s VAL 597 CO 0.01 0.42 -0.14 0.68 0.00 0.00 0.00 175.10 176.07 1b1x s VAL 598 N -1.08 1.18 0.40 2.92 -7.23 -0.68 -1.10 120.40 114.80 1b1x s VAL 598 Ca 0.43 -1.51 -0.15 0.00 -1.81 0.00 0.00 61.98 58.95 1b1x s VAL 598 Cb -0.29 -1.29 0.06 0.00 0.56 0.00 0.00 36.38 35.43 1b1x s VAL 598 CO 0.36 -0.34 0.79 -0.94 -0.31 0.00 0.00 175.10 174.67 1b1x s SER 599 N -2.10 0.04 0.26 4.85 1.04 -0.91 -3.30 113.70 113.58 1b1x s SER 599 Ca 0.03 -1.21 -0.29 0.00 0.48 0.00 0.00 55.95 54.96 1b1x s SER 599 Cb -0.07 0.86 -0.09 0.00 0.10 0.00 0.00 66.02 66.82 1b1x s SER 599 CO 0.02 -1.73 1.22 -1.10 0.98 0.00 0.00 173.24 172.64 1b1x s GLN 600 N -2.14 4.48 0.55 4.02 -1.52 -1.26 -0.74 119.66 123.04 1b1x s GLN 600 Ca 0.16 2.00 0.32 0.00 -1.95 0.00 0.00 55.36 55.89 1b1x s GLN 600 Cb -0.05 -3.16 1.48 0.00 -0.22 0.00 0.00 33.01 31.06 1b1x s GLN 600 CO 0.12 -0.06 1.86 0.66 -0.25 0.00 0.00 175.29 177.62 1b1x h SER 601 N 4.23 0.00 0.24 5.90 4.64 -1.91 0.07 113.55 126.72 1b1x h SER 601 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1b1x h SER 601 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1b1x h SER 601 CO 0.70 0.00 -0.52 -0.78 -0.87 0.00 0.00 176.83 175.36 1b1x h ASP 602 N 0.00 -1.53 0.39 4.97 3.58 -1.97 -3.16 116.42 118.70 1b1x h ASP 602 Ca 0.41 0.15 0.00 0.00 0.42 0.00 0.00 57.03 58.01 1b1x h ASP 602 Cb 1.74 0.55 0.00 0.00 1.72 0.00 0.00 39.33 43.34 1b1x h ASP 602 CO -0.00 -0.59 -0.18 0.54 -2.88 0.00 0.00 179.24 176.12 1b1x n ARG 603 N -5.51 0.60 -0.20 0.28 5.12 -0.04 -4.49 116.66 112.42 1b1x n ARG 603 Ca -0.10 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.57 1b1x n ARG 603 Cb 0.43 -1.49 0.08 0.00 -1.16 0.00 0.00 32.46 30.32 1b1x n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1b1x h ALA 604 N 3.52 0.54 -0.57 7.54 0.00 -1.38 -0.42 119.26 128.47 1b1x h ALA 604 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1b1x h ALA 604 Cb 0.42 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1b1x h ALA 604 CO 0.00 -0.41 0.01 0.37 0.00 0.00 0.00 179.25 179.22 1b1x h GLN 605 N 0.08 0.99 0.52 0.00 4.15 -1.79 -0.57 115.11 118.49 1b1x h GLN 605 Ca 0.31 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1b1x h GLN 605 Cb 0.49 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.08 1b1x h GLN 605 CO -0.54 0.97 -0.25 1.25 -1.93 0.00 0.00 178.83 178.32 1b1x h HIS 606 N 0.91 -0.65 -0.99 3.99 2.76 -1.80 -2.90 115.15 116.48 1b1x h HIS 606 Ca 0.17 -0.02 0.31 0.00 -2.20 0.00 0.00 60.37 58.63 1b1x h HIS 606 Cb 0.52 0.22 -0.15 0.00 1.55 0.00 0.00 27.41 29.55 1b1x h HIS 606 CO 0.03 -0.33 0.53 1.25 -1.30 0.00 0.00 177.93 178.12 1b1x h LEU 607 N -1.00 0.46 0.02 0.26 7.12 -0.97 0.46 115.31 121.66 1b1x h LEU 607 Ca -0.07 0.19 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 1b1x h LEU 607 Cb 0.62 0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 1b1x h LEU 607 CO 0.12 -0.13 -0.01 0.50 -0.13 0.00 0.00 178.44 178.79 1b1x h LYS 608 N 0.33 -0.02 0.10 1.25 3.64 -1.06 -1.66 116.57 119.15 1b1x h LYS 608 Ca 0.71 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 60.10 1b1x h LYS 608 Cb 1.58 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.39 1b1x h LYS 608 CO -0.61 0.12 -0.14 -0.22 -2.27 0.00 0.00 179.45 176.33 1b1x h LYS 609 N -0.16 -0.28 -0.81 1.90 3.64 0.08 0.16 116.57 121.11 1b1x h LYS 609 Ca -0.00 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1b1x h LYS 609 Cb 0.15 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1b1x h LYS 609 CO 0.00 -0.19 0.53 0.28 -2.27 0.00 0.00 179.45 177.81 1b1x h VAL 610 N -0.29 1.19 -0.04 2.00 2.07 -1.24 -2.37 116.25 117.59 1b1x h VAL 610 Ca 0.02 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.03 1b1x h VAL 610 Cb 0.29 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1b1x h VAL 610 CO -0.06 0.20 -0.58 -0.07 0.02 0.00 0.00 177.57 177.07 1b1x h LEU 611 N 1.08 0.13 -0.61 2.57 3.38 -0.50 0.31 115.31 121.67 1b1x h LEU 611 Ca 0.30 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 1b1x h LEU 611 Cb -0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1b1x h LEU 611 CO -0.07 0.68 -0.60 -0.26 0.09 0.00 0.00 178.44 178.28 1b1x h PHE 612 N 0.09 0.40 0.42 1.13 0.04 -0.24 -2.50 116.94 116.29 1b1x h PHE 612 Ca -0.00 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 1b1x h PHE 612 Cb 1.05 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1b1x h PHE 612 CO 0.01 0.84 -0.20 -0.07 -0.60 0.00 0.00 178.31 178.28 1b1x h LEU 613 N 0.23 -0.48 -0.90 1.54 3.38 -1.20 -2.49 115.31 115.39 1b1x h LEU 613 Ca -0.01 0.02 0.25 0.00 0.09 0.00 0.00 57.88 58.23 1b1x h LEU 613 Cb 1.12 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 1b1x h LEU 613 CO 0.10 -0.10 0.27 1.56 0.09 0.00 0.00 178.44 180.36 1b1x h GLN 614 N -1.06 0.21 0.00 1.13 1.08 -1.01 0.53 115.11 115.99 1b1x h GLN 614 Ca -0.06 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1b1x h GLN 614 Cb 0.44 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1b1x h GLN 614 CO 0.10 0.14 -0.05 -0.56 -0.95 0.00 0.00 178.83 177.50 1b1x h GLN 615 N 0.21 0.00 0.00 1.46 3.07 -1.53 -0.87 115.11 117.45 1b1x h GLN 615 Ca 0.58 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 59.22 1b1x h GLN 615 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 1b1x h GLN 615 CO -0.66 0.00 -0.44 -0.44 0.09 0.00 0.00 178.83 177.38 1b1x h ASP 616 N 0.00 0.00 0.10 0.06 3.32 0.52 0.20 116.42 120.63 1b1x h ASP 616 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 1b1x h ASP 616 Cb 0.76 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1b1x h ASP 616 CO 0.00 0.44 -2.12 1.67 -1.72 0.00 0.00 179.24 177.51 1b1x n GLN 617 N -3.31 0.73 -0.04 3.56 7.27 -0.81 -4.30 117.38 120.48 1b1x n GLN 617 Ca 0.01 0.23 0.03 0.00 0.07 0.00 0.00 57.00 57.34 1b1x n GLN 617 Cb 0.65 -1.66 0.04 0.00 2.41 0.00 0.00 30.24 31.67 1b1x n GLN 617 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1b1x n PHE 618 N -3.42 0.00 0.00 3.69 3.72 -0.34 -2.47 117.46 118.64 1b1x n PHE 618 Ca -0.35 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 1b1x n PHE 618 Cb 1.03 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 1b1x n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b1x n GLY 619 N -0.70 -0.40 0.24 1.37 0.00 0.71 -0.95 105.19 105.48 1b1x n GLY 619 Ca 0.04 -1.38 0.10 0.00 0.00 0.00 0.00 46.02 44.78 1b1x n GLY 619 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b1x h GLY 620 N 0.00 0.00 -0.82 -0.02 0.00 -1.76 -1.92 103.07 98.55 1b1x h GLY 620 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1b1x h GLY 620 CO 0.00 0.00 -0.36 0.70 0.00 0.00 0.00 176.54 176.88 1b1x n ASN 621 N -3.75 1.67 -4.67 0.19 5.03 -1.26 -5.04 115.26 107.42 1b1x n ASN 621 Ca -0.02 -3.11 -0.42 0.00 0.87 0.00 0.00 54.58 51.90 1b1x n ASN 621 Cb 0.29 -0.42 -0.03 0.00 -1.02 0.00 0.00 39.78 38.60 1b1x n ASN 621 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1b1x s GLY 622 N -2.66 1.43 0.42 7.41 0.00 -0.72 -4.83 107.32 108.36 1b1x s GLY 622 Ca 0.30 1.34 0.13 0.00 0.00 0.00 0.00 44.72 46.49 1b1x s GLY 622 CO -0.03 3.34 1.97 -2.55 0.00 0.00 0.00 173.10 175.83 1b1x h PRO 623 N 9.88 0.45 -0.62 2.90 0.11 -1.74 0.36 132.00 143.34 1b1x h PRO 623 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b1x h PRO 623 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1b1x h PRO 623 CO 0.94 0.30 0.00 -0.25 -0.21 0.00 0.00 178.00 178.78 1b1x n ASP 624 N -4.47 5.33 0.00 -2.05 8.00 -1.03 -4.58 116.55 117.75 1b1x n ASP 624 Ca 0.10 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.86 1b1x n ASP 624 Cb 0.35 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1b1x n ASP 624 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b1x h PRO 626 N 0.00 0.49 0.00 0.00 0.11 -1.81 -2.65 132.00 128.14 1b1x h PRO 626 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1b1x h PRO 626 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 1b1x h PRO 626 CO 0.00 0.32 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 1b1x n GLY 627 N -1.27 -2.34 0.04 -0.55 0.00 -1.23 -4.51 105.19 95.33 1b1x n GLY 627 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1b1x n GLY 627 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b1x n LYS 628 N -0.52 0.93 -3.64 1.61 2.85 -0.34 -5.04 118.16 114.01 1b1x n LYS 628 Ca 0.00 -0.08 -0.03 0.00 -1.05 0.00 0.00 58.31 57.14 1b1x n LYS 628 Cb 0.00 -1.42 -0.07 0.00 -0.65 0.00 0.00 35.03 32.90 1b1x n LYS 628 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1b1x s PHE 629 N -2.81 -0.34 -0.24 5.58 5.36 0.10 -5.05 117.98 120.58 1b1x s PHE 629 Ca -0.07 0.74 -0.01 0.00 -0.96 0.00 0.00 56.93 56.63 1b1x s PHE 629 Cb 0.08 0.32 0.03 0.00 -0.34 0.00 0.00 43.02 43.11 1b1x s PHE 629 CO 0.70 -0.17 -0.09 0.00 -1.46 0.00 0.00 175.22 174.20 1b1x h LEU 631 N 7.98 0.26 -3.86 0.00 5.85 -1.33 -3.22 115.31 121.00 1b1x h LEU 631 Ca -0.33 -0.12 -0.38 0.00 0.84 0.00 0.00 57.88 57.88 1b1x h LEU 631 Cb 1.11 -0.07 -0.23 0.00 0.37 0.00 0.00 40.66 41.83 1b1x h LEU 631 CO 0.57 0.70 0.46 0.49 -0.34 0.00 0.00 178.44 180.33 1b1x n PHE 632 N -3.97 2.70 -4.19 1.25 3.72 -1.26 -4.72 117.46 110.99 1b1x n PHE 632 Ca -0.02 -1.60 -0.16 0.00 -0.05 0.00 0.00 57.45 55.62 1b1x n PHE 632 Cb 0.53 -0.82 -0.13 0.00 -0.94 0.00 0.00 39.48 38.12 1b1x n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1b1x s LYS 633 N -3.19 0.68 -0.07 -1.08 3.01 -1.22 -4.02 119.74 113.85 1b1x s LYS 633 Ca 0.55 -0.68 0.03 0.00 -1.01 0.00 0.00 55.97 54.86 1b1x s LYS 633 Cb 0.46 -0.59 0.09 0.00 -1.01 0.00 0.00 37.83 36.77 1b1x s LYS 633 CO 0.11 0.14 0.96 -1.13 0.51 0.00 0.00 175.35 175.94 1b1x n SER 634 N 1.84 -0.92 -3.33 2.83 3.41 -1.26 -4.90 113.62 111.29 1b1x n SER 634 Ca -0.19 -1.74 -0.18 0.00 -0.26 0.00 0.00 58.87 56.50 1b1x n SER 634 Cb 0.55 0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.90 1b1x n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1b1x n GLU 635 N -0.33 -2.25 -0.74 4.33 1.02 -1.26 -2.70 120.64 118.71 1b1x n GLU 635 Ca -0.21 0.80 -0.02 0.00 -0.02 0.00 0.00 57.16 57.72 1b1x n GLU 635 Cb 0.67 -5.56 -0.01 0.00 -0.02 0.00 0.00 31.44 26.52 1b1x n GLU 635 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1b1x n THR 636 N -3.42 0.00 1.22 2.62 -2.24 -1.26 -4.74 114.28 106.47 1b1x n THR 636 Ca -0.08 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 1b1x n THR 636 Cb 0.62 -0.73 0.29 0.00 -2.10 0.00 0.00 70.33 68.40 1b1x n THR 636 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b1x n LYS 637 N 0.37 1.70 -4.26 -0.78 5.02 -1.10 -4.84 118.16 114.27 1b1x n LYS 637 Ca -0.02 -1.22 -0.36 0.00 -2.02 0.00 0.00 58.31 54.69 1b1x n LYS 637 Cb 0.34 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 1b1x n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1b1x n ASN 638 N 0.42 -2.30 -4.73 4.39 3.02 -1.26 -4.92 115.26 109.88 1b1x n ASN 638 Ca 0.15 -1.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.21 1b1x n ASN 638 Cb 0.45 -2.48 -0.03 0.00 -0.61 0.00 0.00 39.78 37.11 1b1x n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1b1x s LEU 639 N -7.24 4.44 0.00 3.41 1.43 -1.26 -4.13 118.68 115.32 1b1x s LEU 639 Ca 0.61 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 1b1x s LEU 639 Cb -0.34 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1b1x s LEU 639 CO 0.95 -0.37 0.00 0.18 0.23 0.00 0.00 176.35 177.34 1b1x n LEU 640 N 2.84 0.00 -4.10 1.79 4.77 -1.26 -4.69 117.00 116.34 1b1x n LEU 640 Ca 0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 1b1x n LEU 640 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1b1x n LEU 640 CO 0.55 0.00 -0.17 -0.36 -1.33 0.00 0.00 177.39 176.08 1b1x s PHE 641 N 0.00 0.78 0.29 -1.77 0.40 -1.26 -4.54 117.98 111.88 1b1x s PHE 641 Ca 0.00 -1.11 -0.29 0.00 -0.60 0.00 0.00 56.93 54.93 1b1x s PHE 641 Cb 0.00 -0.34 -0.10 0.00 0.51 0.00 0.00 43.02 43.10 1b1x s PHE 641 CO 0.00 -0.64 1.12 -0.80 0.70 0.00 0.00 175.22 175.60 1b1x s ASN 642 N -3.05 7.18 0.00 1.36 0.01 -1.26 -4.60 114.94 114.57 1b1x s ASN 642 Ca 0.26 2.30 0.01 0.00 -0.71 0.00 0.00 52.86 54.72 1b1x s ASN 642 Cb 0.06 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.12 1b1x s ASN 642 CO 0.05 -0.21 0.94 0.47 -1.51 0.00 0.00 177.10 176.84 1b1x n ASP 643 N 1.07 0.00 -0.88 -1.22 8.00 -1.26 -1.11 116.55 121.15 1b1x n ASP 643 Ca -0.01 0.42 0.07 0.00 0.71 0.00 0.00 54.79 55.99 1b1x n ASP 643 Cb 0.45 -0.42 0.21 0.00 -0.02 0.00 0.00 41.12 41.34 1b1x n ASP 643 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b1x n ASN 644 N -1.42 3.37 -4.70 -2.24 6.94 -1.26 -4.74 115.26 111.21 1b1x n ASN 644 Ca 0.00 -2.13 -0.42 0.00 -0.02 0.00 0.00 54.58 52.01 1b1x n ASN 644 Cb 0.01 -0.34 -0.03 0.00 -2.36 0.00 0.00 39.78 37.06 1b1x n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1b1x s THR 645 N -1.25 3.32 -0.09 5.53 2.01 -0.26 -0.95 115.64 123.95 1b1x s THR 645 Ca 0.32 0.82 -0.19 0.00 0.31 0.00 0.00 61.69 62.95 1b1x s THR 645 Cb 0.19 -3.53 -0.28 0.00 0.01 0.00 0.00 72.50 68.89 1b1x s THR 645 CO 0.19 0.02 0.66 -0.08 -0.69 0.00 0.00 174.62 174.72 1b1x h GLU 646 N 7.64 0.23 -2.33 4.92 4.81 -0.24 -3.44 114.58 126.17 1b1x h GLU 646 Ca -0.41 -0.39 0.18 0.00 -0.13 0.00 0.00 59.36 58.62 1b1x h GLU 646 Cb 1.19 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.65 1b1x h GLU 646 CO 0.90 1.19 0.51 0.00 -0.73 0.00 0.00 179.01 180.88 1b1x s LEU 648 N -3.01 4.89 0.66 0.00 1.43 -1.26 -0.32 118.68 121.07 1b1x s LEU 648 Ca 0.14 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1b1x s LEU 648 Cb -0.01 -2.22 0.10 0.00 0.03 0.00 0.00 46.19 44.09 1b1x s LEU 648 CO 0.03 -0.43 0.91 0.00 0.23 0.00 0.00 176.35 177.09 1b1x s ALA 649 N 1.81 3.86 0.61 4.21 0.00 0.24 -4.76 121.76 127.73 1b1x s ALA 649 Ca 0.07 -1.65 -0.13 0.00 0.00 0.00 0.00 51.96 50.24 1b1x s ALA 649 Cb -0.18 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1b1x s ALA 649 CO 0.11 -1.20 1.03 -1.21 0.00 0.00 0.00 175.76 174.49 1b1x s GLU 650 N -4.99 3.42 0.00 0.00 0.41 -0.63 -1.02 118.70 115.89 1b1x s GLU 650 Ca 0.63 0.97 0.30 0.00 -0.41 0.00 0.00 54.97 56.46 1b1x s GLU 650 Cb -0.07 -2.06 1.57 0.00 -1.78 0.00 0.00 34.13 31.79 1b1x s GLU 650 CO 0.42 -0.71 2.07 1.28 -0.49 0.00 0.00 175.26 177.83 1b1x n LEU 651 N -2.42 0.00 -3.21 1.80 4.77 -1.26 -4.68 117.00 112.01 1b1x n LEU 651 Ca 0.07 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 56.06 1b1x n LEU 651 Cb 0.54 -0.24 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1b1x n LEU 651 CO 0.52 -0.00 0.03 0.00 -1.33 0.00 0.00 177.39 176.61 1b1x n GLN 652 N -1.24 -5.06 0.00 3.23 1.13 -1.26 -1.48 117.38 112.70 1b1x n GLN 652 Ca 0.16 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 56.02 1b1x n GLN 652 Cb 0.22 -5.67 0.00 0.00 0.11 0.00 0.00 30.24 24.90 1b1x n GLN 652 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1b1x n GLY 653 N -1.53 2.90 3.57 1.08 0.00 -1.26 -4.97 105.19 104.98 1b1x n GLY 653 Ca -0.07 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1b1x n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b1x s LYS 654 N 0.00 2.29 -0.01 1.61 -0.14 -0.55 -4.63 119.74 118.31 1b1x s LYS 654 Ca 0.00 -0.76 0.21 0.00 -1.36 0.00 0.00 55.97 54.06 1b1x s LYS 654 Cb 0.00 -5.14 -0.26 0.00 -1.68 0.00 0.00 37.83 30.75 1b1x s LYS 654 CO 0.00 -4.06 0.80 0.25 -0.76 0.00 0.00 175.35 171.58 1b1x n THR 655 N 8.04 0.00 -4.09 2.17 -2.24 -1.26 -4.47 114.28 112.42 1b1x n THR 655 Ca 0.43 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.83 1b1x n THR 655 Cb 0.46 0.76 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1b1x n THR 655 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1b1x s THR 656 N -3.12 4.42 0.28 4.28 -4.23 -1.26 -4.05 115.64 111.95 1b1x s THR 656 Ca 0.04 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1b1x s THR 656 Cb 0.15 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 71.02 1b1x s THR 656 CO 0.88 -0.10 1.92 0.10 -0.54 0.00 0.00 174.62 176.87 1b1x h TYR 657 N 2.46 1.13 -0.17 3.99 -0.00 -1.91 -0.06 116.97 122.42 1b1x h TYR 657 Ca -0.48 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 58.28 1b1x h TYR 657 Cb 1.20 -0.38 -0.01 0.00 0.00 0.00 0.00 36.73 37.54 1b1x h TYR 657 CO 0.58 0.64 0.10 0.93 -0.00 0.00 0.00 178.16 180.42 1b1x h GLU 658 N 1.15 0.23 -0.33 0.10 5.08 -1.95 0.21 114.58 119.07 1b1x h GLU 658 Ca 0.38 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1b1x h GLU 658 Cb 0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1b1x h GLU 658 CO -0.13 0.19 0.17 1.96 -1.00 0.00 0.00 179.01 180.21 1b1x h GLN 659 N 0.20 0.46 0.38 2.33 4.20 -1.79 0.14 115.11 121.04 1b1x h GLN 659 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1b1x h GLN 659 Cb 0.02 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1b1x h GLN 659 CO -0.01 0.40 -0.18 -0.92 -0.67 0.00 0.00 178.83 177.45 1b1x h TYR 660 N 0.40 -0.48 0.00 2.96 3.20 -0.58 -3.06 116.97 119.42 1b1x h TYR 660 Ca 0.11 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.83 1b1x h TYR 660 Cb 0.08 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1b1x h TYR 660 CO -0.02 -0.28 -0.66 -0.07 -1.64 0.00 0.00 178.16 175.48 1b1x h LEU 661 N -0.54 0.00 0.00 2.82 3.38 -0.65 -3.48 115.31 116.84 1b1x h LEU 661 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1b1x h LEU 661 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1b1x h LEU 661 CO 0.09 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1b1x n GLY 662 N 0.52 0.63 0.46 0.83 0.00 0.50 -4.54 105.19 103.58 1b1x n GLY 662 Ca -0.01 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 1b1x n GLY 662 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b1x h SER 663 N 0.00 -1.18 0.00 1.61 4.64 -1.89 -2.48 113.55 114.26 1b1x h SER 663 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1b1x h SER 663 Cb 0.00 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1b1x h SER 663 CO 0.00 -0.64 0.00 -1.84 -0.87 0.00 0.00 176.83 173.48 1b1x n GLU 664 N -5.21 0.00 -0.22 4.77 -0.00 -1.26 -0.25 120.64 118.48 1b1x n GLU 664 Ca -0.12 0.89 0.18 0.00 -0.00 0.00 0.00 57.16 58.11 1b1x n GLU 664 Cb 0.44 -1.47 0.52 0.00 -0.00 0.00 0.00 31.44 30.92 1b1x n GLU 664 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1b1x h TYR 665 N 0.00 0.50 -0.40 -1.84 3.20 -1.80 0.72 116.97 117.35 1b1x h TYR 665 Ca 0.00 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 1b1x h TYR 665 Cb 0.00 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1b1x h TYR 665 CO -0.71 0.15 -0.01 0.28 -1.64 0.00 0.00 178.16 176.23 1b1x h VAL 666 N 0.40 1.26 -0.04 1.81 2.07 -0.80 -1.37 116.25 119.58 1b1x h VAL 666 Ca 0.44 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1b1x h VAL 666 Cb 1.08 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1b1x h VAL 666 CO -0.15 0.35 0.01 0.74 0.02 0.00 0.00 177.57 178.54 1b1x h THR 667 N 0.55 1.14 -0.89 2.57 2.02 0.34 -1.86 112.91 116.78 1b1x h THR 667 Ca 0.11 -0.40 0.14 0.00 0.77 0.00 0.00 66.41 67.03 1b1x h THR 667 Cb 0.50 1.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 1b1x h THR 667 CO 0.02 0.11 0.57 -1.28 0.37 0.00 0.00 175.52 175.32 1b1x h SER 668 N -0.10 0.65 0.88 4.18 0.87 -0.30 0.35 113.55 120.08 1b1x h SER 668 Ca 0.01 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 1b1x h SER 668 Cb 0.16 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1b1x h SER 668 CO -0.00 0.33 -0.37 0.40 -0.53 0.00 0.00 176.83 176.66 1b1x h ILE 669 N 0.69 0.86 0.04 2.23 2.04 -0.76 -2.92 117.51 119.69 1b1x h ILE 669 Ca 0.45 -1.52 -0.24 0.00 1.00 0.00 0.00 64.86 64.55 1b1x h ILE 669 Cb 0.72 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1b1x h ILE 669 CO -0.20 0.36 -1.03 0.74 0.00 0.00 0.00 178.15 178.02 1b1x h THR 670 N 0.00 1.42 -0.51 -0.27 2.02 0.44 -3.05 112.91 112.97 1b1x h THR 670 Ca -0.00 -2.60 -0.03 0.00 0.77 0.00 0.00 66.41 64.54 1b1x h THR 670 Cb 0.91 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 1b1x h THR 670 CO 0.05 0.77 0.20 0.78 0.37 0.00 0.00 175.52 177.69 1b1x h ASN 671 N 0.19 0.70 -0.62 4.18 2.35 -1.04 -2.37 115.58 118.97 1b1x h ASN 671 Ca -0.10 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 1b1x h ASN 671 Cb 1.69 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.84 1b1x h ASN 671 CO 0.18 0.68 0.41 -0.07 -1.65 0.00 0.00 177.43 176.98 1b1x h LEU 672 N 0.68 0.63 -2.14 1.61 3.38 -1.56 -0.30 115.31 117.61 1b1x h LEU 672 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1b1x h LEU 672 Cb 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1b1x h LEU 672 CO -0.01 0.44 0.00 0.03 0.09 0.00 0.00 178.44 178.98 1b1x h ARG 673 N 0.74 0.00 -0.02 1.13 3.08 -1.31 0.12 114.38 118.12 1b1x h ARG 673 Ca 0.25 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1b1x h ARG 673 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1b1x h ARG 673 CO -0.07 0.00 0.02 -0.09 -1.07 0.00 0.00 179.97 178.76 1b1x h ARG 674 N 0.00 0.00 0.00 0.04 2.43 -1.04 -2.73 114.38 113.08 1b1x h ARG 674 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 1b1x h ARG 674 Cb 0.10 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1b1x h ARG 674 CO 0.00 0.00 -1.20 0.00 -1.51 0.00 0.00 179.97 177.26 1b1x s SER 676 N -6.81 0.06 0.27 0.00 0.15 -1.03 -5.08 113.70 101.26 1b1x s SER 676 Ca -0.28 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.31 1b1x s SER 676 Cb 0.05 0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.33 1b1x s SER 676 CO 0.59 -0.07 -0.05 -0.55 1.20 0.00 0.00 173.24 174.35 1b1x s SER 677 N -0.35 2.59 0.20 5.45 0.15 -1.26 -4.02 113.70 116.46 1b1x s SER 677 Ca -0.04 -1.19 0.09 0.00 0.70 0.00 0.00 55.95 55.51 1b1x s SER 677 Cb -0.02 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1b1x s SER 677 CO -0.00 -0.36 -0.05 -0.94 1.20 0.00 0.00 173.24 173.08 1b1x s SER 678 N -3.41 4.45 0.38 5.45 1.04 -1.26 -5.04 113.70 115.31 1b1x s SER 678 Ca 0.29 -0.55 0.07 0.00 0.48 0.00 0.00 55.95 56.24 1b1x s SER 678 Cb 0.04 -0.82 0.75 0.00 0.10 0.00 0.00 66.02 66.09 1b1x s SER 678 CO 0.11 0.07 1.94 1.55 0.98 0.00 0.00 173.24 177.89 1b1x h PRO 679 N 2.58 0.39 -0.13 4.02 0.13 -2.01 -2.42 132.00 134.55 1b1x h PRO 679 Ca -0.46 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 64.54 1b1x h PRO 679 Cb 1.22 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1b1x h PRO 679 CO 0.57 0.42 -0.13 1.25 -0.23 0.00 0.00 178.00 179.88 1b1x h LEU 680 N 0.38 0.34 -1.99 1.56 6.46 -1.98 -0.10 115.31 119.97 1b1x h LEU 680 Ca 0.09 -0.48 0.12 0.00 -0.12 0.00 0.00 57.88 57.48 1b1x h LEU 680 Cb 0.26 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1b1x h LEU 680 CO 0.01 0.76 0.29 0.25 -0.62 0.00 0.00 178.44 179.13 1b1x h LEU 681 N -0.07 0.01 0.13 2.25 5.85 -1.90 -0.31 115.31 121.28 1b1x h LEU 681 Ca 0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.45 1b1x h LEU 681 Cb 0.66 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1b1x h LEU 681 CO 0.03 0.01 -1.48 -0.33 -0.34 0.00 0.00 178.44 176.33 1b1x h GLU 682 N 0.01 0.27 -0.90 1.25 5.08 -1.22 -2.82 114.58 116.25 1b1x h GLU 682 Ca 0.19 -0.46 0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1b1x h GLU 682 Cb 0.76 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.11 1b1x h GLU 682 CO -0.00 1.22 0.58 0.00 -1.00 0.00 0.00 179.01 179.81 1b1x h ALA 683 N -0.02 1.84 0.00 3.43 0.00 -0.44 -0.11 119.26 123.96 1b1x h ALA 683 Ca -0.31 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1b1x h ALA 683 Cb 1.82 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1b1x h ALA 683 CO 0.08 -0.10 -0.64 0.00 0.00 0.00 0.00 179.25 178.59 1b1x h ALA 685 N 1.36 0.84 0.23 0.00 0.00 -0.75 -0.74 119.26 120.20 1b1x h ALA 685 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1b1x h ALA 685 Cb 1.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1b1x h ALA 685 CO 0.08 0.41 -0.11 0.35 0.00 0.00 0.00 179.25 179.99 1b1x h PHE 686 N 0.90 -0.28 -0.98 0.00 3.57 -1.43 -3.11 116.94 115.61 1b1x h PHE 686 Ca 0.22 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1b1x h PHE 686 Cb 0.13 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1b1x h PHE 686 CO 0.00 0.07 0.64 -0.07 -2.23 0.00 0.00 178.31 176.73 1b1x h LEU 687 N -0.70 1.02 -3.74 0.59 3.38 -1.32 -2.74 115.31 111.81 1b1x h LEU 687 Ca -0.03 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.55 1b1x h LEU 687 Cb 0.48 -0.22 -0.23 0.00 0.09 0.00 0.00 40.66 40.78 1b1x h LEU 687 CO 0.05 0.67 0.50 0.54 0.09 0.00 0.00 178.44 180.28 1b1x n ARG 688 N -4.48 2.56 0.00 1.13 5.12 -0.29 -5.08 116.66 115.61 1b1x n ARG 688 Ca 0.15 -2.77 0.08 0.00 -1.93 0.00 0.00 57.85 53.38 1b1x n ARG 688 Cb 0.17 -2.10 0.07 0.00 -1.16 0.00 0.00 32.46 29.43 1b1x n ARG 688 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70