#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g s SER 2 N 0.00 1.28 -0.29 1.61 0.01 -1.26 -5.12 113.70 109.93 1x5g s SER 2 Ca 0.00 -1.61 -0.27 0.00 1.31 0.00 0.00 55.95 55.38 1x5g s SER 2 Cb 0.00 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.71 1x5g s SER 2 CO 0.00 -0.96 0.96 -0.55 0.41 0.00 0.00 173.24 173.11 1x5g s SER 3 N -3.33 6.88 -0.18 2.44 0.15 -1.26 -4.81 113.70 113.59 1x5g s SER 3 Ca 0.38 1.00 0.07 0.00 0.70 0.00 0.00 55.95 58.10 1x5g s SER 3 Cb 0.04 -2.49 0.21 0.00 -1.71 0.00 0.00 66.02 62.07 1x5g s SER 3 CO 0.21 -0.73 1.05 0.61 1.20 0.00 0.00 173.24 175.58 1x5g n GLY 4 N 3.84 0.58 2.52 9.45 0.00 -1.26 -5.01 105.19 115.31 1x5g n GLY 4 Ca 0.09 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1x5g n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5g n SER 5 N -0.80 5.92 -4.07 1.61 2.88 -1.26 -4.89 113.62 113.00 1x5g n SER 5 Ca -0.10 -3.77 -0.32 0.00 -1.33 0.00 0.00 58.87 53.35 1x5g n SER 5 Cb 0.70 -0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1x5g n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5g n SER 6 N -0.58 -3.12 -0.02 -3.46 3.41 -1.26 -4.88 113.62 103.71 1x5g n SER 6 Ca 0.47 -0.94 -0.12 0.00 -0.26 0.00 0.00 58.87 58.02 1x5g n SER 6 Cb 0.58 -3.17 -0.10 0.00 -0.26 0.00 0.00 64.21 61.27 1x5g n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1x5g h GLY 7 N -1.74 -0.07 -7.25 5.00 0.00 -1.97 -3.40 103.07 93.65 1x5g h GLY 7 Ca -0.60 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1x5g h GLY 7 CO 0.72 -0.03 0.23 -1.60 0.00 0.00 0.00 176.54 175.86 1x5g s ARG 8 N -3.02 1.62 0.47 4.80 3.52 -1.26 -4.89 118.95 120.19 1x5g s ARG 8 Ca -0.15 -0.15 0.08 0.00 -0.13 0.00 0.00 55.73 55.39 1x5g s ARG 8 Cb -0.01 -4.94 0.03 0.00 -1.56 0.00 0.00 34.95 28.47 1x5g s ARG 8 CO 0.57 -4.72 0.58 0.14 -0.81 0.00 0.00 175.30 171.06 1x5g s VAL 9 N 14.80 2.62 -0.13 7.11 -7.23 -1.26 -5.14 120.40 131.17 1x5g s VAL 9 Ca 0.83 -1.09 -0.28 0.00 -1.81 0.00 0.00 61.98 59.62 1x5g s VAL 9 Cb -0.08 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1x5g s VAL 9 CO 0.12 0.00 0.69 -0.70 -0.31 0.00 0.00 175.10 174.89 1x5g s GLU 10 N -4.39 0.97 -0.85 4.82 2.56 -1.26 -5.10 118.70 115.45 1x5g s GLU 10 Ca 0.54 0.53 -0.25 0.00 0.00 0.00 0.00 54.97 55.79 1x5g s GLU 10 Cb -0.07 0.46 0.02 0.00 2.00 0.00 0.00 34.13 36.54 1x5g s GLU 10 CO 0.33 -0.24 1.52 0.99 -0.56 0.00 0.00 175.26 177.29 1x5g s THR 11 N -0.60 3.70 0.28 -1.70 2.01 -1.26 -4.99 115.64 113.09 1x5g s THR 11 Ca -0.07 -0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.61 1x5g s THR 11 Cb -0.02 -4.71 -0.09 0.00 0.01 0.00 0.00 72.50 67.70 1x5g s THR 11 CO 0.07 -1.63 0.73 -1.10 -0.69 0.00 0.00 174.62 171.99 1x5g s GLN 12 N 5.82 4.09 0.98 4.92 -0.21 -1.26 -5.07 119.66 128.93 1x5g s GLN 12 Ca 0.48 0.74 -0.12 0.00 0.02 0.00 0.00 55.36 56.48 1x5g s GLN 12 Cb -0.06 -2.60 0.18 0.00 1.00 0.00 0.00 33.01 31.53 1x5g s GLN 12 CO 0.04 0.25 1.09 -1.25 -2.12 0.00 0.00 175.29 173.30 1x5g s PRO 13 N -2.60 0.58 -0.05 2.91 0.04 -1.26 -5.06 135.00 129.56 1x5g s PRO 13 Ca 0.50 0.58 0.06 0.00 0.04 0.00 0.00 61.00 62.17 1x5g s PRO 13 Cb -0.13 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1x5g s PRO 13 CO 0.19 -2.64 -0.22 -1.83 0.04 0.00 0.00 177.00 172.53 1x5g s GLU 14 N -4.96 2.48 0.03 4.56 1.03 -1.26 -5.03 118.70 115.55 1x5g s GLU 14 Ca 0.65 -0.85 -0.02 0.00 0.03 0.00 0.00 54.97 54.78 1x5g s GLU 14 Cb -0.18 -2.21 -0.01 0.00 -0.80 0.00 0.00 34.13 30.93 1x5g s GLU 14 CO 0.57 0.47 -0.04 0.28 -1.33 0.00 0.00 175.26 175.21 1x5g n VAL 15 N 2.72 0.76 -1.81 1.83 0.31 -1.26 -4.85 118.33 116.03 1x5g n VAL 15 Ca -0.17 0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.23 1x5g n VAL 15 Cb 0.52 -1.46 0.08 0.00 -0.91 0.00 0.00 33.84 32.06 1x5g n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g n GLN 16 N -3.19 2.98 -3.97 5.55 0.00 -1.26 -5.02 117.38 112.46 1x5g n GLN 16 Ca -0.01 -3.82 -0.21 0.00 0.00 0.00 0.00 57.00 52.96 1x5g n GLN 16 Cb 0.05 -2.12 -0.02 0.00 0.00 0.00 0.00 30.24 28.15 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1x5g s LEU 17 N -3.53 4.31 1.13 2.61 2.01 -1.26 -4.48 118.68 119.47 1x5g s LEU 17 Ca 0.50 0.06 -0.17 0.00 0.01 0.00 0.00 54.13 54.53 1x5g s LEU 17 Cb 0.41 -2.85 0.25 0.00 0.01 0.00 0.00 46.19 44.02 1x5g s LEU 17 CO 0.01 -0.07 1.10 -2.16 1.01 0.00 0.00 176.35 176.25 1x5g s PRO 18 N -3.96 -0.68 0.43 1.29 0.04 -1.26 -4.10 135.00 126.76 1x5g s PRO 18 Ca 0.34 0.13 0.08 0.00 0.04 0.00 0.00 61.00 61.59 1x5g s PRO 18 Cb -0.09 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1x5g s PRO 18 CO 0.29 -3.39 0.53 0.20 0.04 0.00 0.00 177.00 174.67 1x5g s GLY 19 N -3.73 2.00 -0.27 0.56 0.00 -1.04 -3.58 107.32 101.25 1x5g s GLY 19 Ca 0.69 -1.75 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 1x5g s GLY 19 CO 0.57 -1.56 1.64 2.56 0.00 0.00 0.00 173.10 176.31 1x5g s PRO 20 N -4.31 3.65 -0.45 2.90 0.04 -1.26 -4.62 135.00 130.95 1x5g s PRO 20 Ca 0.53 1.52 -0.42 0.00 0.04 0.00 0.00 61.00 62.67 1x5g s PRO 20 Cb -0.08 -4.08 -0.17 0.00 0.04 0.00 0.00 34.50 30.21 1x5g s PRO 20 CO 0.32 -1.47 2.06 0.00 0.04 0.00 0.00 177.00 177.94 1x5g n ALA 21 N 8.99 0.18 -1.03 8.56 0.00 -1.26 -4.69 120.51 131.26 1x5g n ALA 21 Ca 0.20 0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1x5g n ALA 21 Cb 0.46 -2.17 0.11 0.00 0.00 0.00 0.00 19.45 17.85 1x5g n ALA 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x5g n PRO 22 N 7.08 -1.93 -3.84 0.00 -0.04 -1.20 -4.15 135.00 130.91 1x5g n PRO 22 Ca 0.47 -0.75 -0.24 0.00 -0.04 0.00 0.00 63.50 62.94 1x5g n PRO 22 Cb 0.03 -0.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.73 1x5g n PRO 22 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x5g n ASN 23 N -3.80 0.05 -4.52 3.54 5.03 -1.26 -0.99 115.26 113.30 1x5g n ASN 23 Ca 0.06 -0.93 -0.43 0.00 0.87 0.00 0.00 54.58 54.16 1x5g n ASN 23 Cb 0.25 -1.14 -0.04 0.00 -1.02 0.00 0.00 39.78 37.83 1x5g n ASN 23 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1x5g s LEU 24 N -6.28 3.92 0.38 3.41 2.96 -1.26 -3.52 118.68 118.30 1x5g s LEU 24 Ca 0.06 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1x5g s LEU 24 Cb -0.04 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 1x5g s LEU 24 CO 0.72 -1.38 0.13 -0.13 -1.32 0.00 0.00 176.35 174.37 1x5g s ARG 25 N 4.36 2.21 -0.29 1.98 1.81 0.10 -5.00 118.95 124.12 1x5g s ARG 25 Ca 0.32 -1.78 -0.15 0.00 -1.72 0.00 0.00 55.73 52.39 1x5g s ARG 25 Cb -0.12 -1.99 0.13 0.00 -0.45 0.00 0.00 34.95 32.52 1x5g s ARG 25 CO 0.18 -0.02 0.85 0.00 -0.68 0.00 0.00 175.30 175.63 1x5g s ALA 26 N -2.56 -2.19 -0.01 2.13 0.00 -1.26 -2.11 121.76 115.76 1x5g s ALA 26 Ca 0.39 2.27 -0.02 0.00 0.00 0.00 0.00 51.96 54.60 1x5g s ALA 26 Cb 0.02 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.46 1x5g s ALA 26 CO 0.22 -0.51 0.05 1.52 0.00 0.00 0.00 175.76 177.04 1x5g s TYR 27 N 1.76 0.03 -0.55 0.00 1.13 0.08 -5.02 117.35 114.79 1x5g s TYR 27 Ca -0.08 -0.06 -0.26 0.00 -1.41 0.00 0.00 57.07 55.26 1x5g s TYR 27 Cb -0.05 -0.04 0.04 0.00 -1.10 0.00 0.00 41.96 40.80 1x5g s TYR 27 CO -0.17 -0.11 1.03 0.00 -2.51 0.00 0.00 175.55 173.79 1x5g s ALA 28 N -0.54 3.11 0.18 9.51 0.00 -1.26 -0.67 121.76 132.08 1x5g s ALA 28 Ca -0.06 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1x5g s ALA 28 Cb -0.04 -3.83 0.07 0.00 0.00 0.00 0.00 23.12 19.32 1x5g s ALA 28 CO 0.00 -2.44 1.49 0.00 0.00 0.00 0.00 175.76 174.80 1x5g h ALA 29 N 9.36 0.65 -2.42 0.00 0.00 -1.88 -3.45 119.26 121.52 1x5g h ALA 29 Ca -0.25 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 1x5g h ALA 29 Cb 1.07 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 1x5g h ALA 29 CO 1.12 0.69 -0.53 -1.12 0.00 0.00 0.00 179.25 179.41 1x5g s SER 30 N -6.93 0.27 0.00 0.00 0.01 -1.18 -5.01 113.70 100.86 1x5g s SER 30 Ca -0.08 -0.93 0.13 0.00 1.31 0.00 0.00 55.95 56.38 1x5g s SER 30 Cb 0.11 0.30 0.78 0.00 0.21 0.00 0.00 66.02 67.42 1x5g s SER 30 CO 0.85 -0.71 1.20 -0.81 0.41 0.00 0.00 173.24 174.18 1x5g n PRO 31 N -0.04 0.49 0.00 12.44 -0.04 -1.26 -2.47 135.00 144.12 1x5g n PRO 31 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1x5g n PRO 31 Cb 0.62 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 1x5g n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x5g n THR 32 N -0.92 0.00 -4.49 0.52 -2.24 -1.26 -3.54 114.28 102.35 1x5g n THR 32 Ca 0.10 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.64 1x5g n THR 32 Cb 0.04 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 1x5g n THR 32 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x5g s SER 33 N -1.51 2.69 -0.13 3.42 1.04 -1.03 0.13 113.70 118.32 1x5g s SER 33 Ca 0.00 -1.43 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 1x5g s SER 33 Cb 0.00 -0.02 0.06 0.00 0.10 0.00 0.00 66.02 66.16 1x5g s SER 33 CO 0.00 -0.64 0.29 -0.63 0.98 0.00 0.00 173.24 173.24 1x5g s ILE 34 N -3.19 -0.19 -0.18 -1.02 1.01 -0.06 -3.11 121.20 114.45 1x5g s ILE 34 Ca 0.33 0.18 -0.16 0.00 0.00 0.00 0.00 60.65 61.00 1x5g s ILE 34 Cb 0.08 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 1x5g s ILE 34 CO 0.15 0.07 0.39 -0.89 0.00 0.00 0.00 174.94 174.67 1x5g s THR 35 N 1.73 5.21 -0.05 2.92 2.01 0.15 -1.61 115.64 126.00 1x5g s THR 35 Ca -0.06 0.72 0.05 0.00 0.31 0.00 0.00 61.69 62.71 1x5g s THR 35 Cb -0.11 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1x5g s THR 35 CO -0.10 0.28 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.23 1x5g s VAL 36 N 1.10 1.63 -0.01 3.82 1.01 -0.65 -0.74 120.40 126.56 1x5g s VAL 36 Ca 0.20 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1x5g s VAL 36 Cb -0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1x5g s VAL 36 CO 0.08 0.46 -0.12 0.42 0.00 0.00 0.00 175.10 175.94 1x5g s THR 37 N -0.05 0.92 0.14 3.92 -4.23 -0.90 -1.63 115.64 113.81 1x5g s THR 37 Ca -0.03 -0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1x5g s THR 37 Cb -0.12 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1x5g s THR 37 CO 0.02 0.26 0.12 -1.66 -0.54 0.00 0.00 174.62 172.83 1x5g s TRP 38 N -0.28 0.72 0.32 3.99 -2.14 -1.08 0.03 118.94 120.50 1x5g s TRP 38 Ca 0.04 -1.09 0.08 0.00 2.66 0.00 0.00 56.10 57.79 1x5g s TRP 38 Cb -0.04 -0.35 -0.04 0.00 -3.10 0.00 0.00 33.47 29.94 1x5g s TRP 38 CO -0.00 -0.58 0.17 -1.21 -2.66 0.00 0.00 176.95 172.67 1x5g s GLU 39 N -4.02 2.55 -0.03 3.25 0.41 -0.17 -4.77 118.70 115.92 1x5g s GLU 39 Ca 0.22 -1.38 -0.23 0.00 -0.41 0.00 0.00 54.97 53.16 1x5g s GLU 39 Cb 0.06 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 1x5g s GLU 39 CO 0.01 0.18 0.69 0.99 -0.49 0.00 0.00 175.26 176.64 1x5g s THR 40 N -2.33 4.95 -0.21 3.63 2.01 -1.26 -3.24 115.64 119.19 1x5g s THR 40 Ca 0.37 1.43 -0.29 0.00 0.31 0.00 0.00 61.69 63.51 1x5g s THR 40 Cb -0.05 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1x5g s THR 40 CO 0.24 0.31 1.60 -2.16 -0.69 0.00 0.00 174.62 173.92 1x5g s PRO 41 N 0.39 3.84 0.17 4.92 0.04 -1.26 -4.64 135.00 138.47 1x5g s PRO 41 Ca 0.36 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 1x5g s PRO 41 Cb -0.18 -4.02 0.07 0.00 0.04 0.00 0.00 34.50 30.41 1x5g s PRO 41 CO 0.19 -1.24 1.80 -0.39 0.04 0.00 0.00 177.00 177.40 1x5g h VAL 42 N 6.08 1.17 -3.90 -0.36 -1.51 -1.94 -3.43 116.25 112.36 1x5g h VAL 42 Ca -0.34 -0.40 -0.47 0.00 -1.23 0.00 0.00 66.70 64.26 1x5g h VAL 42 Cb 1.15 0.42 -0.01 0.00 -2.13 0.00 0.00 31.29 30.72 1x5g h VAL 42 CO 1.00 0.18 0.37 -0.94 -1.23 0.00 0.00 177.57 176.95 1x5g s SER 43 N -5.81 7.18 0.00 4.19 1.04 -1.26 -4.94 113.70 114.09 1x5g s SER 43 Ca -0.13 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.21 1x5g s SER 43 Cb 0.13 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1x5g s SER 43 CO 0.76 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1x5g n GLY 44 N 0.51 2.76 0.24 7.32 0.00 -1.26 -2.50 105.19 112.26 1x5g n GLY 44 Ca 0.03 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 43.99 1x5g n GLY 44 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1x5g h ASN 45 N 0.00 -0.53 0.00 1.61 -0.73 -1.79 -3.48 115.58 110.66 1x5g h ASN 45 Ca 0.00 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.35 1x5g h ASN 45 Cb 0.00 0.37 0.00 0.00 0.27 0.00 0.00 38.32 38.96 1x5g h ASN 45 CO 0.00 -0.20 0.00 0.61 -0.37 0.00 0.00 177.43 177.47 1x5g n GLY 46 N -1.42 -0.12 4.32 1.57 0.00 -1.26 -4.97 105.19 103.31 1x5g n GLY 46 Ca 0.08 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 1x5g n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x5g n GLU 47 N 0.30 -1.85 -1.65 1.61 1.02 -1.26 -4.78 120.64 114.03 1x5g n GLU 47 Ca 0.00 0.23 -0.48 0.00 -0.02 0.00 0.00 57.16 56.89 1x5g n GLU 47 Cb 0.00 -4.55 -0.05 0.00 -0.02 0.00 0.00 31.44 26.82 1x5g n GLU 47 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1x5g n ILE 48 N -4.32 0.03 0.02 -3.67 2.08 -1.26 -4.70 119.36 107.54 1x5g n ILE 48 Ca -0.05 -0.01 -0.19 0.00 0.56 0.00 0.00 62.75 63.06 1x5g n ILE 48 Cb 0.55 -1.33 -0.14 0.00 -0.75 0.00 0.00 39.64 37.97 1x5g n ILE 48 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1x5g h GLN 49 N 5.66 0.23 -2.28 0.38 4.20 -1.76 -3.48 115.11 118.06 1x5g h GLN 49 Ca -0.46 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 57.79 1x5g h GLN 49 Cb 1.28 0.15 -0.22 0.00 0.30 0.00 0.00 27.48 28.99 1x5g h GLN 49 CO 0.86 1.19 -0.00 1.21 -0.67 0.00 0.00 178.83 181.41 1x5g s ASN 50 N -6.80 -0.62 -0.14 1.46 3.84 -1.20 -5.09 114.94 106.39 1x5g s ASN 50 Ca -0.15 1.15 -0.16 0.00 0.21 0.00 0.00 52.86 53.91 1x5g s ASN 50 Cb 0.00 1.16 -0.04 0.00 -0.55 0.00 0.00 41.25 41.82 1x5g s ASN 50 CO 0.80 -0.24 0.40 -0.31 -2.79 0.00 0.00 177.10 174.96 1x5g s TYR 51 N 0.17 3.49 -0.26 0.43 2.02 -1.18 -3.36 117.35 118.67 1x5g s TYR 51 Ca -0.01 0.77 -0.10 0.00 -0.37 0.00 0.00 57.07 57.35 1x5g s TYR 51 Cb -0.04 -2.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 1x5g s TYR 51 CO 0.02 0.19 0.16 0.21 -1.57 0.00 0.00 175.55 174.56 1x5g s LYS 52 N 0.57 3.98 -0.14 -0.62 2.47 -0.95 -2.70 119.74 122.34 1x5g s LYS 52 Ca 0.22 -0.31 0.01 0.00 -1.56 0.00 0.00 55.97 54.33 1x5g s LYS 52 Cb -0.14 -3.57 -0.00 0.00 -1.46 0.00 0.00 37.83 32.66 1x5g s LYS 52 CO 0.08 -0.06 -0.16 -1.17 0.16 0.00 0.00 175.35 174.19 1x5g s LEU 53 N 1.40 2.47 0.28 5.43 2.96 -1.19 -1.71 118.68 128.33 1x5g s LEU 53 Ca 0.07 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1x5g s LEU 53 Cb -0.15 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1x5g s LEU 53 CO 0.07 0.12 0.15 -0.31 -1.32 0.00 0.00 176.35 175.06 1x5g s TYR 54 N 0.62 2.93 -0.27 5.38 1.51 -1.00 -2.03 117.35 124.49 1x5g s TYR 54 Ca -0.09 -0.19 -0.24 0.00 -1.01 0.00 0.00 57.07 55.53 1x5g s TYR 54 Cb -0.16 -1.43 0.08 0.00 -0.11 0.00 0.00 41.96 40.35 1x5g s TYR 54 CO 0.03 0.48 0.80 1.52 -1.11 0.00 0.00 175.55 177.27 1x5g s TYR 55 N -2.24 -0.72 0.18 2.71 1.13 -1.17 -3.48 117.35 113.75 1x5g s TYR 55 Ca 0.34 1.74 -0.22 0.00 -1.41 0.00 0.00 57.07 57.53 1x5g s TYR 55 Cb -0.07 0.31 0.06 0.00 -1.10 0.00 0.00 41.96 41.16 1x5g s TYR 55 CO 0.24 -0.35 0.59 0.00 -2.51 0.00 0.00 175.55 173.52 1x5g s MET 56 N 0.43 1.34 -0.01 -3.49 0.23 -1.08 -1.56 119.30 115.16 1x5g s MET 56 Ca 0.00 -0.60 -0.24 0.00 -1.03 0.00 0.00 55.69 53.81 1x5g s MET 56 Cb -0.05 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.78 1x5g s MET 56 CO -0.02 -0.59 0.75 -2.00 -2.03 0.00 0.00 175.02 171.13 1x5g s GLU 57 N -3.79 4.47 -0.65 3.16 2.12 -1.26 0.43 118.70 123.17 1x5g s GLU 57 Ca 0.03 1.00 -0.26 0.00 0.36 0.00 0.00 54.97 56.10 1x5g s GLU 57 Cb -0.01 -3.41 -0.12 0.00 0.26 0.00 0.00 34.13 30.85 1x5g s GLU 57 CO -0.09 0.16 2.45 1.17 -0.54 0.00 0.00 175.26 178.41 1x5g n LYS 58 N 3.33 0.73 0.00 4.30 3.00 -1.08 -2.28 118.16 126.16 1x5g n LYS 58 Ca -0.01 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1x5g n LYS 58 Cb 0.51 -3.05 0.00 0.00 0.00 0.00 0.00 35.03 32.49 1x5g n LYS 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5g n GLY 59 N 6.21 0.98 0.00 3.14 0.00 -1.26 -4.95 105.19 109.30 1x5g n GLY 59 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1x5g n GLY 59 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x5g n THR 60 N 0.00 0.00 -1.80 2.61 -1.04 -0.97 -5.03 114.28 108.05 1x5g n THR 60 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1x5g n THR 60 Cb 0.00 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.21 1x5g n THR 60 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1x5g n ASP 61 N -1.37 -4.22 -3.38 8.00 2.03 -1.26 -4.98 116.55 111.37 1x5g n ASP 61 Ca 0.00 0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.34 1x5g n ASP 61 Cb 0.17 -3.12 -0.09 0.00 -0.72 0.00 0.00 41.12 37.36 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1x5g s LYS 62 N -3.84 0.32 0.23 -0.67 -0.14 -1.26 -5.16 119.74 109.22 1x5g s LYS 62 Ca 0.00 0.33 0.07 0.00 -1.36 0.00 0.00 55.97 55.00 1x5g s LYS 62 Cb 0.00 -0.62 -0.04 0.00 -1.68 0.00 0.00 37.83 35.49 1x5g s LYS 62 CO 0.00 -0.75 0.16 -1.83 -0.76 0.00 0.00 175.35 172.17 1x5g s GLU 63 N 2.48 2.85 0.46 1.68 -1.05 -1.26 -4.63 118.70 119.23 1x5g s GLU 63 Ca 0.11 -1.05 0.07 0.00 -0.15 0.00 0.00 54.97 53.96 1x5g s GLU 63 Cb -0.15 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.01 1x5g s GLU 63 CO -0.19 0.42 0.44 -0.65 0.95 0.00 0.00 175.26 176.23 1x5g s GLN 64 N -3.62 2.46 -0.08 -4.83 -0.21 -0.60 -4.91 119.66 107.87 1x5g s GLN 64 Ca 0.32 -1.65 0.02 0.00 0.02 0.00 0.00 55.36 54.07 1x5g s GLN 64 Cb -0.08 -2.36 0.02 0.00 1.00 0.00 0.00 33.01 31.58 1x5g s GLN 64 CO 0.24 -0.37 -0.11 0.16 -2.12 0.00 0.00 175.29 173.08 1x5g s ASP 65 N -4.24 1.86 -0.08 5.90 -4.77 -1.26 -3.04 116.67 111.05 1x5g s ASP 65 Ca 0.47 -0.30 0.03 0.00 -3.30 0.00 0.00 52.55 49.44 1x5g s ASP 65 Cb -0.04 -0.84 0.01 0.00 -1.09 0.00 0.00 42.92 40.97 1x5g s ASP 65 CO 0.28 0.00 -0.15 0.68 0.70 0.00 0.00 175.17 176.68 1x5g s VAL 66 N 0.88 1.37 -0.19 2.11 -7.23 -0.86 -5.03 120.40 111.44 1x5g s VAL 66 Ca -0.11 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.16 1x5g s VAL 66 Cb -0.15 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 1x5g s VAL 66 CO 0.01 0.41 1.42 -1.81 -0.31 0.00 0.00 175.10 174.82 1x5g s ASP 67 N 0.63 6.70 -0.09 4.85 1.11 -1.26 -3.18 116.67 125.43 1x5g s ASP 67 Ca -0.15 1.65 0.04 0.00 0.18 0.00 0.00 52.55 54.27 1x5g s ASP 67 Cb -0.16 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 1x5g s ASP 67 CO 0.04 -0.98 -0.22 -0.69 1.18 0.00 0.00 175.17 174.50 1x5g s VAL 68 N 4.20 2.26 -0.54 -1.27 1.01 -1.10 -5.04 120.40 119.92 1x5g s VAL 68 Ca 0.62 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1x5g s VAL 68 Cb -0.23 -1.86 0.40 0.00 0.00 0.00 0.00 36.38 34.68 1x5g s VAL 68 CO 0.22 0.56 1.26 -1.20 0.00 0.00 0.00 175.10 175.94 1x5g n SER 69 N 3.26 5.21 -2.89 3.32 7.64 -1.26 -3.09 113.62 125.81 1x5g n SER 69 Ca -0.18 -3.74 -0.04 0.00 1.01 0.00 0.00 58.87 55.92 1x5g n SER 69 Cb 0.53 -0.59 0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1x5g n SER 69 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5g n SER 70 N -0.45 -1.64 0.04 6.43 7.64 -1.26 -5.05 113.62 119.33 1x5g n SER 70 Ca 0.41 -1.94 -0.14 0.00 1.01 0.00 0.00 58.87 58.21 1x5g n SER 70 Cb 0.55 2.68 -0.14 0.00 -1.01 0.00 0.00 64.21 66.29 1x5g n SER 70 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1x5g h HIS 71 N 1.86 0.27 -4.33 1.43 3.86 -1.95 -3.47 115.15 112.82 1x5g h HIS 71 Ca -0.25 -0.20 -0.62 0.00 -1.16 0.00 0.00 60.37 58.14 1x5g h HIS 71 Cb 1.05 -0.01 -0.28 0.00 1.06 0.00 0.00 27.41 29.24 1x5g h HIS 71 CO 0.00 1.26 -0.86 -1.54 0.86 0.00 0.00 177.93 177.65 1x5g s SER 72 N -6.71 2.63 0.09 2.45 1.04 -1.26 -2.62 113.70 109.31 1x5g s SER 72 Ca -0.07 -0.47 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1x5g s SER 72 Cb 0.08 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1x5g s SER 72 CO 0.83 0.23 -0.07 -0.47 0.98 0.00 0.00 173.24 174.75 1x5g s TYR 73 N -0.67 0.87 -0.20 5.02 5.04 -0.64 -5.01 117.35 121.76 1x5g s TYR 73 Ca 0.09 -0.91 0.01 0.00 -2.44 0.00 0.00 57.07 53.82 1x5g s TYR 73 Cb -0.09 -0.51 0.05 0.00 0.35 0.00 0.00 41.96 41.76 1x5g s TYR 73 CO 0.01 -0.15 -0.09 0.99 -1.34 0.00 0.00 175.55 174.97 1x5g s THR 74 N -3.56 1.56 -0.46 4.34 2.01 -1.26 -1.63 115.64 116.63 1x5g s THR 74 Ca 0.11 -1.01 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 1x5g s THR 74 Cb 0.05 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.92 1x5g s THR 74 CO -0.05 0.11 0.48 -0.63 -0.69 0.00 0.00 174.62 173.84 1x5g s ILE 75 N 1.42 5.07 0.47 1.82 1.01 -0.63 -4.90 121.20 125.46 1x5g s ILE 75 Ca -0.02 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.12 1x5g s ILE 75 Cb -0.17 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1x5g s ILE 75 CO -0.08 -0.58 0.60 0.54 0.00 0.00 0.00 174.94 175.43 1x5g s ASN 76 N 2.28 5.35 0.00 3.58 2.20 -1.26 -0.88 114.94 126.21 1x5g s ASN 76 Ca 0.11 -0.64 0.00 0.00 -0.94 0.00 0.00 52.86 51.39 1x5g s ASN 76 Cb -0.20 -0.30 0.00 0.00 -2.00 0.00 0.00 41.25 38.75 1x5g s ASN 76 CO 0.11 -0.94 0.00 0.61 -2.94 0.00 0.00 177.10 173.94 1x5g n GLY 77 N -1.92 0.56 3.37 0.45 0.00 -0.70 -4.92 105.19 102.03 1x5g n GLY 77 Ca 0.09 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1x5g n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5g s LEU 78 N -1.76 2.55 1.05 0.99 1.43 0.12 -5.04 118.68 118.02 1x5g s LEU 78 Ca 0.00 -1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 51.96 1x5g s LEU 78 Cb 0.00 -0.78 0.22 0.00 0.03 0.00 0.00 46.19 45.66 1x5g s LEU 78 CO 0.00 -0.11 1.09 -0.54 0.23 0.00 0.00 176.35 177.02 1x5g s LYS 79 N -3.53 -0.01 0.02 1.70 1.02 -1.26 -4.31 119.74 113.37 1x5g s LYS 79 Ca 0.23 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.64 1x5g s LYS 79 Cb -0.02 -1.69 -0.04 0.00 -0.52 0.00 0.00 37.83 35.56 1x5g s LYS 79 CO 0.08 -3.01 0.14 0.15 -0.92 0.00 0.00 175.35 171.79 1x5g s LYS 80 N -4.99 3.24 -1.43 1.68 3.01 -1.23 -4.45 119.74 115.57 1x5g s LYS 80 Ca 0.66 -0.44 -0.10 0.00 -1.01 0.00 0.00 55.97 55.08 1x5g s LYS 80 Cb -0.18 -2.96 0.05 0.00 -1.01 0.00 0.00 37.83 33.73 1x5g s LYS 80 CO 0.58 0.64 1.03 0.98 0.51 0.00 0.00 175.35 179.09 1x5g n TYR 81 N 0.86 -2.47 -4.46 3.18 9.36 -1.08 -4.96 117.16 117.58 1x5g n TYR 81 Ca -0.10 0.94 -0.21 0.00 3.32 0.00 0.00 57.90 61.85 1x5g n TYR 81 Cb 0.52 -4.46 -0.15 0.00 -0.63 0.00 0.00 39.34 34.62 1x5g n TYR 81 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1x5g s THR 82 N -3.35 0.88 0.50 2.97 2.01 -1.26 -4.89 115.64 112.50 1x5g s THR 82 Ca 0.53 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 1x5g s THR 82 Cb -0.26 -0.77 -0.08 0.00 0.01 0.00 0.00 72.50 71.41 1x5g s THR 82 CO 0.79 0.26 0.98 -0.70 -0.69 0.00 0.00 174.62 175.27 1x5g s GLU 83 N 0.06 3.98 -0.17 4.92 2.12 -1.26 -2.33 118.70 126.01 1x5g s GLU 83 Ca -0.01 1.00 -0.11 0.00 0.36 0.00 0.00 54.97 56.20 1x5g s GLU 83 Cb -0.08 -2.14 0.05 0.00 0.26 0.00 0.00 34.13 32.23 1x5g s GLU 83 CO 0.00 -0.25 0.43 0.71 -0.54 0.00 0.00 175.26 175.62 1x5g s TYR 84 N -2.53 -0.58 0.41 5.30 2.02 0.13 -2.62 117.35 119.48 1x5g s TYR 84 Ca 0.60 1.29 -0.15 0.00 -0.37 0.00 0.00 57.07 58.44 1x5g s TYR 84 Cb -0.10 0.25 -0.08 0.00 -0.40 0.00 0.00 41.96 41.63 1x5g s TYR 84 CO 0.28 -0.31 0.83 0.45 -1.57 0.00 0.00 175.55 175.22 1x5g s SER 85 N 1.03 6.68 -0.07 2.29 0.15 0.17 -1.14 113.70 122.80 1x5g s SER 85 Ca -0.06 1.35 -0.07 0.00 0.70 0.00 0.00 55.95 57.87 1x5g s SER 85 Cb -0.06 -2.41 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 1x5g s SER 85 CO -0.09 -0.37 0.20 -0.36 1.20 0.00 0.00 173.24 173.81 1x5g s PHE 86 N -2.28 -0.22 -0.13 3.44 0.08 -1.14 -2.64 117.98 115.09 1x5g s PHE 86 Ca 0.55 0.53 -0.14 0.00 0.12 0.00 0.00 56.93 58.00 1x5g s PHE 86 Cb -0.10 0.07 0.04 0.00 -0.57 0.00 0.00 43.02 42.45 1x5g s PHE 86 CO 0.24 -0.11 0.39 -0.98 -0.10 0.00 0.00 175.22 174.66 1x5g s ARG 87 N 0.19 0.50 -0.10 0.44 1.04 -1.23 0.00 118.95 119.79 1x5g s ARG 87 Ca -0.01 0.46 -0.01 0.00 -1.04 0.00 0.00 55.73 55.14 1x5g s ARG 87 Cb -0.02 0.24 -0.03 0.00 -2.04 0.00 0.00 34.95 33.10 1x5g s ARG 87 CO -0.00 -0.07 -0.07 0.08 -0.04 0.00 0.00 175.30 175.19 1x5g s VAL 88 N 0.01 3.62 -0.04 4.99 1.01 -1.26 -2.36 120.40 126.37 1x5g s VAL 88 Ca -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1x5g s VAL 88 Cb -0.03 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.83 1x5g s VAL 88 CO 0.01 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 1x5g s VAL 89 N -0.25 1.30 -0.10 2.92 1.01 -0.69 -2.97 120.40 121.62 1x5g s VAL 89 Ca 0.03 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 1x5g s VAL 89 Cb -0.13 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1x5g s VAL 89 CO 0.03 0.38 0.68 0.00 0.00 0.00 0.00 175.10 176.19 1x5g s ALA 90 N 0.09 3.39 -0.22 5.51 0.00 -1.26 -2.25 121.76 127.01 1x5g s ALA 90 Ca -0.04 0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.98 1x5g s ALA 90 Cb -0.11 -2.95 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1x5g s ALA 90 CO 0.02 -0.19 -0.14 0.71 0.00 0.00 0.00 175.76 176.15 1x5g s TYR 91 N 1.03 2.93 0.30 0.00 1.51 -1.21 -1.93 117.35 119.98 1x5g s TYR 91 Ca 0.35 -1.95 0.10 0.00 -1.01 0.00 0.00 57.07 54.57 1x5g s TYR 91 Cb -0.17 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 1x5g s TYR 91 CO 0.16 -0.83 -0.06 0.54 -1.11 0.00 0.00 175.55 174.25 1x5g s ASN 92 N 1.23 4.09 0.56 2.29 4.22 -1.17 -2.28 114.94 123.87 1x5g s ASN 92 Ca -0.03 -0.92 0.43 0.00 -2.14 0.00 0.00 52.86 50.20 1x5g s ASN 92 Cb -0.17 -0.54 1.46 0.00 1.28 0.00 0.00 41.25 43.28 1x5g s ASN 92 CO -0.08 -0.09 1.45 2.29 -2.04 0.00 0.00 177.10 178.62 1x5g n LYS 93 N -0.83 0.00 0.08 3.55 0.00 -1.26 -0.52 118.16 119.18 1x5g n LYS 93 Ca -0.05 1.04 -0.04 0.00 -0.00 0.00 0.00 58.31 59.26 1x5g n LYS 93 Cb 0.61 -2.45 -0.02 0.00 -0.00 0.00 0.00 35.03 33.17 1x5g n LYS 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5g h HIS 94 N 0.00 -0.24 0.00 5.58 3.86 -1.93 -3.51 115.15 118.91 1x5g h HIS 94 Ca 0.79 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 60.00 1x5g h HIS 94 Cb 3.46 0.08 0.00 0.00 1.06 0.00 0.00 27.41 32.01 1x5g h HIS 94 CO 0.00 -0.15 0.00 0.41 0.86 0.00 0.00 177.93 179.05 1x5g n GLY 95 N 0.80 -1.54 3.70 2.45 0.00 0.32 -5.13 105.19 105.80 1x5g n GLY 95 Ca -0.03 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1x5g n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 96 N -1.32 4.30 0.00 1.61 0.04 -1.26 -3.04 135.00 135.32 1x5g s PRO 96 Ca 0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x5g s PRO 96 Cb 0.00 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1x5g s PRO 96 CO 0.00 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1x5g n GLY 97 N 3.58 1.36 3.12 0.56 0.00 -0.81 -4.93 105.19 108.06 1x5g n GLY 97 Ca 0.12 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 1x5g n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x5g n VAL 98 N 0.00 0.00 -3.82 1.61 0.24 -1.23 -4.80 118.33 110.33 1x5g n VAL 98 Ca 0.00 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.34 61.92 1x5g n VAL 98 Cb 0.00 -0.54 -0.17 0.00 -1.47 0.00 0.00 33.84 31.66 1x5g n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5g s SER 99 N -1.94 2.09 0.89 -1.34 0.15 -1.26 -4.36 113.70 107.93 1x5g s SER 99 Ca 0.45 -0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.66 1x5g s SER 99 Cb -0.08 -0.64 0.08 0.00 -1.71 0.00 0.00 66.02 63.68 1x5g s SER 99 CO 0.48 -0.19 0.88 0.35 1.20 0.00 0.00 173.24 175.96 1x5g n THR 100 N 5.04 0.65 -2.22 6.45 -2.24 -1.16 -4.92 114.28 115.89 1x5g n THR 100 Ca -0.09 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1x5g n THR 100 Cb 0.49 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1x5g n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x5g s PRO 101 N -4.04 4.37 0.42 -0.78 0.04 -1.26 -4.70 135.00 129.04 1x5g s PRO 101 Ca 0.65 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.50 1x5g s PRO 101 Cb -0.25 -3.23 -0.13 0.00 0.04 0.00 0.00 34.50 30.94 1x5g s PRO 101 CO 0.59 -0.33 0.54 -0.25 0.04 0.00 0.00 177.00 177.60 1x5g n ASP 102 N 3.27 -0.89 -3.66 6.66 8.00 -1.26 -4.81 116.55 123.86 1x5g n ASP 102 Ca 0.08 0.91 -0.28 0.00 0.71 0.00 0.00 54.79 56.22 1x5g n ASP 102 Cb 0.43 -1.11 -0.11 0.00 -0.02 0.00 0.00 41.12 40.31 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5g s VAL 103 N -1.47 1.68 0.22 2.53 1.01 0.10 -4.88 120.40 119.59 1x5g s VAL 103 Ca 0.63 -3.49 -0.30 0.00 0.00 0.00 0.00 61.98 58.82 1x5g s VAL 103 Cb -0.61 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 1x5g s VAL 103 CO 0.58 -1.11 1.28 0.00 0.00 0.00 0.00 175.10 175.85 1x5g s ALA 104 N -0.72 3.50 -0.03 5.51 0.00 -1.26 -2.89 121.76 125.87 1x5g s ALA 104 Ca 0.28 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.26 1x5g s ALA 104 Cb -0.01 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.66 1x5g s ALA 104 CO -0.18 -0.50 0.16 0.54 0.00 0.00 0.00 175.76 175.79 1x5g s VAL 105 N -0.13 0.04 -0.18 0.00 0.11 -0.29 -4.90 120.40 115.06 1x5g s VAL 105 Ca 0.54 -0.36 -0.10 0.00 -2.93 0.00 0.00 61.98 59.14 1x5g s VAL 105 Cb -0.36 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1x5g s VAL 105 CO 0.40 -0.20 0.15 -0.60 -3.33 0.00 0.00 175.10 171.52 1x5g s ARG 106 N -0.69 4.03 0.72 1.54 3.52 -1.26 -0.69 118.95 126.12 1x5g s ARG 106 Ca -0.08 -0.16 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 1x5g s ARG 106 Cb -0.05 -3.37 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1x5g s ARG 106 CO 0.01 0.41 1.07 0.95 -0.81 0.00 0.00 175.30 176.93 1x5g s THR 107 N 0.04 3.73 0.65 4.11 -4.23 -0.98 -4.75 115.64 114.20 1x5g s THR 107 Ca 0.11 0.56 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 1x5g s THR 107 Cb -0.12 -3.35 -0.00 0.00 1.34 0.00 0.00 72.50 70.37 1x5g s THR 107 CO 0.00 -0.73 1.20 -0.76 -0.54 0.00 0.00 174.62 173.79 1x5g s LEU 108 N -5.57 3.50 -0.36 4.79 1.43 -1.26 -3.49 118.68 117.73 1x5g s LEU 108 Ca 0.59 2.33 -0.17 0.00 -1.03 0.00 0.00 54.13 55.85 1x5g s LEU 108 Cb -0.14 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.49 1x5g s LEU 108 CO 0.54 -1.84 0.43 -0.94 0.23 0.00 0.00 176.35 174.77 1x5g s SER 109 N -1.88 6.23 -0.12 2.29 1.04 -1.26 -2.64 113.70 117.36 1x5g s SER 109 Ca 0.75 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.94 1x5g s SER 109 Cb -0.29 -2.23 -0.07 0.00 0.10 0.00 0.00 66.02 63.54 1x5g s SER 109 CO 0.39 -0.43 -0.12 -0.67 0.98 0.00 0.00 173.24 173.38 1x5g n ASP 110 N 5.55 2.25 -0.04 7.02 -0.08 -1.26 -4.75 116.55 125.25 1x5g n ASP 110 Ca -0.07 0.02 -0.13 0.00 -1.51 0.00 0.00 54.79 53.09 1x5g n ASP 110 Cb 0.49 -0.25 -0.11 0.00 2.34 0.00 0.00 41.12 43.59 1x5g n ASP 110 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1x5g h SER 111 N -0.17 -0.00 -1.93 1.67 0.87 -1.95 -3.47 113.55 108.58 1x5g h SER 111 Ca -0.28 -0.70 -0.53 0.00 -1.23 0.00 0.00 61.79 59.05 1x5g h SER 111 Cb 1.35 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 63.55 1x5g h SER 111 CO -0.10 0.70 -1.82 0.61 -0.53 0.00 0.00 176.83 175.69 1x5g n GLY 112 N 0.81 -4.53 3.70 5.77 0.00 -1.26 -4.81 105.19 104.88 1x5g n GLY 112 Ca -0.09 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1x5g n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5g s PRO 113 N -1.94 4.30 0.21 1.61 0.04 -1.26 -4.93 135.00 133.03 1x5g s PRO 113 Ca 0.39 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.44 1x5g s PRO 113 Cb -0.17 -3.44 0.17 0.00 0.04 0.00 0.00 34.50 31.10 1x5g s PRO 113 CO 0.80 -0.52 1.55 0.66 0.04 0.00 0.00 177.00 179.53 1x5g h SER 114 N 7.43 0.59 -5.76 6.66 4.64 -1.93 -3.47 113.55 121.71 1x5g h SER 114 Ca -0.40 -0.29 -0.37 0.00 -0.47 0.00 0.00 61.79 60.26 1x5g h SER 114 Cb 1.19 -0.17 0.15 0.00 -0.31 0.00 0.00 62.40 63.27 1x5g h SER 114 CO 0.89 0.97 -0.72 -1.20 -0.87 0.00 0.00 176.83 175.90 1x5g n SER 115 N -3.99 -4.44 0.00 4.97 7.64 -1.26 -5.27 113.62 111.27 1x5g n SER 115 Ca -0.02 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1x5g n SER 115 Cb 0.56 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64