#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 -0.72 -0.20 1.61 0.15 -1.26 -5.14 113.70 108.14 1x5g s SER 2 Ca 0.00 1.36 -0.05 0.00 0.70 0.00 0.00 55.95 57.96 1x5g s SER 2 Cb 0.00 1.36 0.07 0.00 -1.71 0.00 0.00 66.02 65.74 1x5g s SER 2 CO 0.00 -0.23 0.09 -0.55 1.20 0.00 0.00 173.24 173.75 1x5g s SER 3 N 0.52 2.66 0.00 5.45 0.15 -1.26 -5.11 113.70 116.11 1x5g s SER 3 Ca -0.01 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1x5g s SER 3 Cb -0.05 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1x5g s SER 3 CO -0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1x5g n GLY 4 N 5.25 0.06 3.78 9.45 0.00 -1.26 -5.12 105.19 117.35 1x5g n GLY 4 Ca -0.07 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1x5g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5g s SER 5 N -1.72 5.59 0.07 1.61 0.01 -1.26 -5.10 113.70 112.90 1x5g s SER 5 Ca 0.00 0.02 -0.21 0.00 1.31 0.00 0.00 55.95 57.07 1x5g s SER 5 Cb 0.00 -1.52 -0.07 0.00 0.21 0.00 0.00 66.02 64.64 1x5g s SER 5 CO 0.00 0.18 0.63 -0.55 0.41 0.00 0.00 173.24 173.91 1x5g s SER 6 N -2.31 7.12 0.00 2.44 0.15 -1.26 -4.97 113.70 114.87 1x5g s SER 6 Ca 0.29 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.27 1x5g s SER 6 Cb -0.12 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1x5g s SER 6 CO 0.21 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.47 1x5g n GLY 7 N 1.88 1.02 3.05 9.45 0.00 -1.26 -5.19 105.19 114.15 1x5g n GLY 7 Ca -0.08 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1x5g n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x5g s ARG 8 N 0.00 0.49 0.45 1.61 1.70 -1.26 -5.17 118.95 116.77 1x5g s ARG 8 Ca 0.00 -0.95 0.07 0.00 -0.47 0.00 0.00 55.73 54.38 1x5g s ARG 8 Cb 0.00 0.11 0.02 0.00 -0.57 0.00 0.00 34.95 34.51 1x5g s ARG 8 CO 0.00 -0.07 0.62 0.14 -1.08 0.00 0.00 175.30 174.91 1x5g s VAL 9 N -2.73 2.91 -0.38 4.99 -7.23 -1.26 -5.09 120.40 111.62 1x5g s VAL 9 Ca -0.03 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 1x5g s VAL 9 Cb -0.01 -2.98 0.10 0.00 0.56 0.00 0.00 36.38 34.05 1x5g s VAL 9 CO -0.05 0.00 0.14 -1.83 -0.31 0.00 0.00 175.10 173.05 1x5g s GLU 10 N -4.45 2.03 -0.56 4.82 -1.05 -1.26 -5.06 118.70 113.17 1x5g s GLU 10 Ca 0.56 -1.71 -0.18 0.00 -0.15 0.00 0.00 54.97 53.49 1x5g s GLU 10 Cb -0.10 -3.46 0.11 0.00 -0.44 0.00 0.00 34.13 30.25 1x5g s GLU 10 CO 0.34 -0.96 0.61 0.99 0.95 0.00 0.00 175.26 177.19 1x5g s THR 11 N 1.14 4.99 0.24 1.83 2.01 -1.26 -5.04 115.64 119.54 1x5g s THR 11 Ca 0.06 -1.18 -0.31 0.00 0.31 0.00 0.00 61.69 60.57 1x5g s THR 11 Cb -0.22 -4.41 -0.14 0.00 0.01 0.00 0.00 72.50 67.74 1x5g s THR 11 CO -0.04 -0.99 1.25 0.00 -0.69 0.00 0.00 174.62 174.14 1x5g n GLN 12 N 5.86 1.65 -0.52 4.92 6.02 -1.26 -4.97 117.38 129.07 1x5g n GLN 12 Ca -0.11 0.58 -0.15 0.00 -0.01 0.00 0.00 57.00 57.31 1x5g n GLN 12 Cb 0.42 -2.13 0.13 0.00 1.02 0.00 0.00 30.24 29.67 1x5g n GLN 12 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1x5g n PRO 13 N 1.58 -2.10 -4.25 -1.09 -0.04 -1.26 -5.10 135.00 122.74 1x5g n PRO 13 Ca 0.12 -0.88 -0.26 0.00 -0.04 0.00 0.00 63.50 62.44 1x5g n PRO 13 Cb 0.30 -0.83 -0.06 0.00 -0.04 0.00 0.00 33.50 32.87 1x5g n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5g n GLU 14 N -3.19 0.77 -0.00 0.54 -0.58 -1.26 -5.07 120.64 111.85 1x5g n GLU 14 Ca 0.08 -3.17 0.01 0.00 -0.42 0.00 0.00 57.16 53.66 1x5g n GLU 14 Cb 0.30 1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 32.41 1x5g n GLU 14 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1x5g n VAL 15 N -0.97 0.00 -0.68 2.62 3.14 -1.26 -4.64 118.33 116.54 1x5g n VAL 15 Ca -0.12 -0.11 -0.18 0.00 -2.96 0.00 0.00 64.34 60.96 1x5g n VAL 15 Cb 0.56 0.54 0.09 0.00 -1.06 0.00 0.00 33.84 33.96 1x5g n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x5g n GLN 16 N -1.49 1.92 -3.94 1.45 0.00 -1.26 -4.93 117.38 109.13 1x5g n GLN 16 Ca -0.00 -2.03 -0.21 0.00 0.00 0.00 0.00 57.00 54.76 1x5g n GLN 16 Cb 0.05 -1.79 -0.03 0.00 0.00 0.00 0.00 30.24 28.47 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 -2.28 4.05 1.11 2.61 1.02 -1.26 -4.40 118.68 119.53 1x5g s LEU 17 Ca 0.39 -0.12 -0.16 0.00 0.02 0.00 0.00 54.13 54.26 1x5g s LEU 17 Cb 0.32 -2.62 0.24 0.00 0.02 0.00 0.00 46.19 44.15 1x5g s LEU 17 CO 0.04 -0.13 1.10 -2.16 0.02 0.00 0.00 176.35 175.22 1x5g s PRO 18 N -3.96 -0.46 0.45 1.29 0.04 -1.26 -4.51 135.00 126.58 1x5g s PRO 18 Ca 0.36 0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.68 1x5g s PRO 18 Cb -0.08 -1.66 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 1x5g s PRO 18 CO 0.28 -3.26 0.38 0.20 0.04 0.00 0.00 177.00 174.64 1x5g s GLY 19 N -3.67 2.19 -0.03 0.56 0.00 0.24 -3.96 107.32 102.64 1x5g s GLY 19 Ca 0.68 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.30 1x5g s GLY 19 CO 0.57 -1.77 1.48 2.56 0.00 0.00 0.00 173.10 175.93 1x5g s PRO 20 N -4.16 4.24 -0.46 2.90 0.04 -1.26 -4.65 135.00 131.65 1x5g s PRO 20 Ca 0.45 2.02 -0.33 0.00 0.04 0.00 0.00 61.00 63.18 1x5g s PRO 20 Cb -0.02 -3.72 -0.12 0.00 0.04 0.00 0.00 34.50 30.67 1x5g s PRO 20 CO 0.26 -0.69 2.30 0.00 0.04 0.00 0.00 177.00 178.91 1x5g n ALA 21 N 6.09 0.92 -1.03 8.56 0.00 -1.26 -4.65 120.51 129.13 1x5g n ALA 21 Ca 0.15 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.24 1x5g n ALA 21 Cb 0.43 -2.61 0.15 0.00 0.00 0.00 0.00 19.45 17.43 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 8.36 -2.34 -4.37 0.00 -0.04 -1.23 -4.07 135.00 131.32 1x5g n PRO 22 Ca 0.44 -1.07 -0.36 0.00 -0.04 0.00 0.00 63.50 62.46 1x5g n PRO 22 Cb 0.25 -1.01 -0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 -4.15 -0.55 -4.57 3.54 5.03 -1.26 -1.44 115.26 111.85 1x5g n ASN 23 Ca 0.09 -1.22 -0.41 0.00 0.87 0.00 0.00 54.58 53.91 1x5g n ASN 23 Cb 0.36 -1.54 -0.03 0.00 -1.02 0.00 0.00 39.78 37.55 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 -7.14 3.35 -0.02 3.41 2.96 -1.26 -3.90 118.68 116.09 1x5g s LEU 24 Ca 0.45 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1x5g s LEU 24 Cb -0.26 -2.93 -0.00 0.00 0.50 0.00 0.00 46.19 43.50 1x5g s LEU 24 CO 0.98 -1.75 -0.09 0.00 -1.32 0.00 0.00 176.35 174.17 1x5g s ARG 25 N 5.57 0.87 -0.04 1.98 1.70 -0.84 -5.01 118.95 123.19 1x5g s ARG 25 Ca 0.48 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.43 1x5g s ARG 25 Cb -0.10 -0.83 0.01 0.00 -0.57 0.00 0.00 34.95 33.47 1x5g s ARG 25 CO 0.23 0.17 -0.08 0.00 -1.08 0.00 0.00 175.30 174.53 1x5g s ALA 26 N -0.05 0.86 -0.04 7.88 0.00 -1.26 -0.47 121.76 128.68 1x5g s ALA 26 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1x5g s ALA 26 Cb -0.06 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1x5g s ALA 26 CO -0.00 0.10 -0.08 1.52 0.00 0.00 0.00 175.76 177.30 1x5g s TYR 27 N 0.43 0.95 -0.32 0.00 -0.85 -1.00 -4.98 117.35 111.57 1x5g s TYR 27 Ca -0.07 -0.27 -0.29 0.00 -0.52 0.00 0.00 57.07 55.92 1x5g s TYR 27 Cb -0.11 -0.73 0.00 0.00 0.38 0.00 0.00 41.96 41.50 1x5g s TYR 27 CO 0.01 -0.16 1.32 0.00 -1.52 0.00 0.00 175.55 175.20 1x5g s ALA 28 N 0.54 3.30 -0.01 9.51 0.00 -1.26 -1.90 121.76 131.94 1x5g s ALA 28 Ca -0.08 0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.02 1x5g s ALA 28 Cb -0.12 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.09 1x5g s ALA 28 CO 0.01 -1.90 1.31 0.00 0.00 0.00 0.00 175.76 175.18 1x5g h ALA 29 N 9.56 0.51 -2.49 0.00 0.00 -1.88 -3.46 119.26 121.49 1x5g h ALA 29 Ca -0.26 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 53.81 1x5g h ALA 29 Cb 1.10 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.66 1x5g h ALA 29 CO 1.05 1.00 -0.40 -1.12 0.00 0.00 0.00 179.25 179.77 1x5g s SER 30 N -6.55 0.15 0.00 0.00 0.01 -0.62 -5.00 113.70 101.67 1x5g s SER 30 Ca 0.02 -0.71 0.14 0.00 1.31 0.00 0.00 55.95 56.71 1x5g s SER 30 Cb 0.09 0.34 0.65 0.00 0.21 0.00 0.00 66.02 67.30 1x5g s SER 30 CO 0.79 -0.73 1.44 -0.81 0.41 0.00 0.00 173.24 174.33 1x5g n PRO 31 N -0.06 0.07 0.00 12.44 -0.04 -1.26 -2.41 135.00 143.73 1x5g n PRO 31 Ca -0.14 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1x5g n PRO 31 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.43 0.07 -3.81 0.52 -2.24 -1.26 -3.25 114.28 102.88 1x5g n THR 32 Ca 0.05 -0.40 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 1x5g n THR 32 Cb 0.15 1.22 -0.09 0.00 -2.10 0.00 0.00 70.33 69.50 1x5g n THR 32 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1x5g s SER 33 N -0.07 -0.10 0.05 3.42 0.01 -1.01 -0.41 113.70 115.59 1x5g s SER 33 Ca 0.00 -0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.31 1x5g s SER 33 Cb 0.00 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.49 1x5g s SER 33 CO 0.00 -0.38 -0.14 -0.63 0.41 0.00 0.00 173.24 172.49 1x5g s ILE 34 N -1.23 1.12 -0.44 1.44 1.01 0.10 -1.59 121.20 121.62 1x5g s ILE 34 Ca -0.13 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1x5g s ILE 34 Cb -0.06 -1.04 0.12 0.00 0.01 0.00 0.00 42.46 41.48 1x5g s ILE 34 CO 0.03 -0.09 0.20 -0.89 0.00 0.00 0.00 174.94 174.19 1x5g s THR 35 N -1.03 2.89 0.12 2.92 2.01 -0.80 0.25 115.64 122.01 1x5g s THR 35 Ca 0.00 -2.52 -0.25 0.00 0.31 0.00 0.00 61.69 59.23 1x5g s THR 35 Cb -0.09 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 1x5g s THR 35 CO 0.02 -0.71 0.78 -0.69 -0.69 0.00 0.00 174.62 173.33 1x5g s VAL 36 N 0.62 4.50 0.14 3.82 1.01 -0.71 -2.38 120.40 127.41 1x5g s VAL 36 Ca 0.12 1.70 0.07 0.00 0.00 0.00 0.00 61.98 63.86 1x5g s VAL 36 Cb -0.22 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1x5g s VAL 36 CO -0.05 0.46 -0.15 0.42 0.00 0.00 0.00 175.10 175.78 1x5g s THR 37 N -0.72 1.50 0.12 3.92 -4.23 0.38 -1.93 115.64 114.68 1x5g s THR 37 Ca 0.37 -1.85 -0.24 0.00 -1.18 0.00 0.00 61.69 58.79 1x5g s THR 37 Cb -0.22 -1.70 0.08 0.00 1.34 0.00 0.00 72.50 72.00 1x5g s THR 37 CO 0.25 -0.43 0.69 -1.66 -0.54 0.00 0.00 174.62 172.94 1x5g s TRP 38 N -2.28 -0.46 0.34 3.99 -2.14 -1.03 -1.98 118.94 115.38 1x5g s TRP 38 Ca 0.13 0.25 0.08 0.00 2.66 0.00 0.00 56.10 59.22 1x5g s TRP 38 Cb -0.04 0.56 -0.03 0.00 -3.10 0.00 0.00 33.47 30.86 1x5g s TRP 38 CO 0.04 -0.79 0.25 -1.21 -2.66 0.00 0.00 176.95 172.58 1x5g s GLU 39 N -3.58 2.62 -0.00 3.25 0.41 -0.52 -4.75 118.70 116.13 1x5g s GLU 39 Ca 0.03 -1.37 -0.24 0.00 -0.41 0.00 0.00 54.97 52.98 1x5g s GLU 39 Cb -0.01 -2.39 -0.05 0.00 -1.78 0.00 0.00 34.13 29.90 1x5g s GLU 39 CO -0.10 0.10 0.72 0.99 -0.49 0.00 0.00 175.26 176.47 1x5g s THR 40 N -2.34 4.87 -0.02 3.63 2.01 -1.26 -3.56 115.64 118.97 1x5g s THR 40 Ca 0.40 1.51 -0.30 0.00 0.31 0.00 0.00 61.69 63.61 1x5g s THR 40 Cb -0.05 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1x5g s THR 40 CO 0.25 0.33 1.47 -2.16 -0.69 0.00 0.00 174.62 173.82 1x5g s PRO 41 N 0.22 4.25 0.18 4.92 0.04 -1.26 -4.69 135.00 138.65 1x5g s PRO 41 Ca 0.37 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.67 1x5g s PRO 41 Cb -0.19 -3.68 0.91 0.00 0.04 0.00 0.00 34.50 31.57 1x5g s PRO 41 CO 0.20 -0.66 1.72 1.33 0.04 0.00 0.00 177.00 179.63 1x5g n VAL 42 N 4.91 0.69 -3.29 -0.36 0.24 -1.26 -4.53 118.33 114.73 1x5g n VAL 42 Ca 0.14 0.05 -0.44 0.00 -2.04 0.00 0.00 64.34 62.05 1x5g n VAL 42 Cb 0.43 -0.89 -0.07 0.00 -1.47 0.00 0.00 33.84 31.85 1x5g n VAL 42 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x5g s SER 43 N -4.01 6.18 0.00 -1.34 0.01 -1.26 -5.00 113.70 108.29 1x5g s SER 43 Ca 0.08 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1x5g s SER 43 Cb 0.11 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.11 1x5g s SER 43 CO 0.45 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1x5g n GLY 44 N 5.19 1.01 0.03 3.44 0.00 -1.26 -0.59 105.19 113.01 1x5g n GLY 44 Ca -0.10 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 1x5g n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5g n ASN 45 N 0.00 3.48 -4.91 1.61 5.15 -1.26 -5.02 115.26 114.30 1x5g n ASN 45 Ca 0.00 -0.04 -0.27 0.00 -0.60 0.00 0.00 54.58 53.68 1x5g n ASN 45 Cb 0.00 -0.07 -0.01 0.00 -0.53 0.00 0.00 39.78 39.17 1x5g n ASN 45 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1x5g s GLY 46 N -4.61 1.58 -0.15 8.20 0.00 -1.26 -5.06 107.32 106.01 1x5g s GLY 46 Ca -0.09 -0.61 -0.24 0.00 0.00 0.00 0.00 44.72 43.78 1x5g s GLY 46 CO 0.16 -0.49 0.78 1.85 0.00 0.00 0.00 173.10 175.40 1x5g s GLU 47 N -4.25 4.31 -0.45 2.90 -6.30 -1.26 -4.91 118.70 108.75 1x5g s GLU 47 Ca 0.45 0.93 -0.31 0.00 -2.50 0.00 0.00 54.97 53.54 1x5g s GLU 47 Cb -0.10 -3.55 -0.10 0.00 0.00 0.00 0.00 34.13 30.38 1x5g s GLU 47 CO 0.37 -0.24 2.33 -0.89 0.02 0.00 0.00 175.26 176.86 1x5g n ILE 48 N 4.54 0.11 -0.28 -3.70 2.08 -1.26 -4.07 119.36 116.78 1x5g n ILE 48 Ca 0.02 -0.43 -0.01 0.00 0.56 0.00 0.00 62.75 62.90 1x5g n ILE 48 Cb 0.49 -2.01 0.18 0.00 -0.75 0.00 0.00 39.64 37.55 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 15.01 1.12 -2.03 0.38 1.08 -0.57 -3.46 115.11 126.64 1x5g h GLN 49 Ca -0.26 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 56.89 1x5g h GLN 49 Cb 1.29 -0.24 -0.19 0.00 -0.05 0.00 0.00 27.48 28.29 1x5g h GLN 49 CO 1.10 0.77 0.39 1.21 -0.95 0.00 0.00 178.83 181.34 1x5g s ASN 50 N -6.28 -0.48 -0.30 1.46 3.84 -1.23 -5.08 114.94 106.87 1x5g s ASN 50 Ca -0.12 0.35 -0.12 0.00 0.21 0.00 0.00 52.86 53.18 1x5g s ASN 50 Cb 0.18 0.43 -0.04 0.00 -0.55 0.00 0.00 41.25 41.27 1x5g s ASN 50 CO 0.80 -0.56 0.24 -0.31 -2.79 0.00 0.00 177.10 174.48 1x5g s TYR 51 N -1.92 3.22 -0.13 0.43 2.02 -1.23 -3.49 117.35 116.25 1x5g s TYR 51 Ca -0.03 0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.53 1x5g s TYR 51 Cb -0.01 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1x5g s TYR 51 CO -0.00 -0.25 0.50 0.21 -1.57 0.00 0.00 175.55 174.43 1x5g s LYS 52 N 1.80 4.33 -0.17 -0.62 2.47 -1.08 -2.73 119.74 123.75 1x5g s LYS 52 Ca 0.08 0.47 0.01 0.00 -1.56 0.00 0.00 55.97 54.97 1x5g s LYS 52 Cb -0.16 -3.45 0.02 0.00 -1.46 0.00 0.00 37.83 32.78 1x5g s LYS 52 CO 0.11 0.11 -0.16 -1.17 0.16 0.00 0.00 175.35 174.40 1x5g s LEU 53 N 0.76 1.93 0.20 5.43 2.96 -1.05 -2.25 118.68 126.67 1x5g s LEU 53 Ca 0.26 -0.60 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 1x5g s LEU 53 Cb -0.15 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1x5g s LEU 53 CO 0.11 -0.04 0.32 -0.31 -1.32 0.00 0.00 176.35 175.10 1x5g s TYR 54 N 1.40 3.44 -0.28 5.38 1.51 -0.80 -0.26 117.35 127.73 1x5g s TYR 54 Ca 0.04 0.03 -0.15 0.00 -1.01 0.00 0.00 57.07 55.98 1x5g s TYR 54 Cb -0.13 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.21 1x5g s TYR 54 CO -0.11 0.48 0.72 1.52 -1.11 0.00 0.00 175.55 177.04 1x5g s TYR 55 N -1.89 -1.05 0.13 2.71 1.13 -1.21 -3.46 117.35 113.71 1x5g s TYR 55 Ca 0.34 2.05 -0.11 0.00 -1.41 0.00 0.00 57.07 57.94 1x5g s TYR 55 Cb -0.10 0.63 0.01 0.00 -1.10 0.00 0.00 41.96 41.40 1x5g s TYR 55 CO 0.28 -0.52 0.29 0.00 -2.51 0.00 0.00 175.55 173.09 1x5g s MET 56 N 1.77 1.02 -0.12 -3.49 0.23 -0.97 -3.29 119.30 114.46 1x5g s MET 56 Ca -0.09 -0.96 -0.20 0.00 -1.03 0.00 0.00 55.69 53.41 1x5g s MET 56 Cb -0.06 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 1x5g s MET 56 CO -0.19 -0.37 0.55 -2.00 -2.03 0.00 0.00 175.02 170.98 1x5g s GLU 57 N -3.88 4.35 -0.64 3.16 2.12 -1.26 -0.76 118.70 121.78 1x5g s GLU 57 Ca 0.08 0.57 -0.28 0.00 0.36 0.00 0.00 54.97 55.70 1x5g s GLU 57 Cb 0.03 -3.46 -0.12 0.00 0.26 0.00 0.00 34.13 30.85 1x5g s GLU 57 CO -0.08 0.08 2.50 1.17 -0.54 0.00 0.00 175.26 178.39 1x5g n LYS 58 N 3.88 0.73 0.00 4.30 3.00 -1.04 -1.87 118.16 127.16 1x5g n LYS 58 Ca -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1x5g n LYS 58 Cb 0.51 -2.81 0.00 0.00 0.00 0.00 0.00 35.03 32.73 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 6.18 1.54 0.00 3.14 0.00 -1.26 -4.95 105.19 109.84 1x5g n GLY 59 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.13 0.00 -2.24 2.61 -1.04 -0.78 -5.02 114.28 107.67 1x5g n THR 60 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1x5g n THR 60 Cb 0.00 -0.66 -0.01 0.00 -1.82 0.00 0.00 70.33 67.83 1x5g n THR 60 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x5g n ASP 61 N -1.78 -4.97 -3.43 8.00 9.92 -1.26 -4.97 116.55 118.05 1x5g n ASP 61 Ca 0.00 0.02 -0.16 0.00 -0.53 0.00 0.00 54.79 54.12 1x5g n ASP 61 Cb 0.37 -4.06 -0.11 0.00 -0.64 0.00 0.00 41.12 36.69 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1x5g s LYS 62 N -4.71 0.27 0.19 -1.24 2.47 -1.26 -5.15 119.74 110.32 1x5g s LYS 62 Ca 0.00 0.16 -0.15 0.00 -1.56 0.00 0.00 55.97 54.42 1x5g s LYS 62 Cb 0.00 -0.87 -0.07 0.00 -1.46 0.00 0.00 37.83 35.43 1x5g s LYS 62 CO 0.00 -0.78 0.61 -2.00 0.16 0.00 0.00 175.35 173.34 1x5g s GLU 63 N 2.39 4.01 0.54 4.03 2.56 -1.26 -4.71 118.70 126.26 1x5g s GLU 63 Ca 0.09 0.55 0.03 0.00 0.00 0.00 0.00 54.97 55.65 1x5g s GLU 63 Cb -0.15 -2.82 0.03 0.00 2.00 0.00 0.00 34.13 33.18 1x5g s GLU 63 CO -0.20 0.40 0.26 -0.65 -0.56 0.00 0.00 175.26 174.51 1x5g s GLN 64 N -2.20 2.23 -0.13 4.30 -0.21 -1.21 -4.97 119.66 117.47 1x5g s GLN 64 Ca 0.42 -2.19 -0.09 0.00 0.02 0.00 0.00 55.36 53.52 1x5g s GLN 64 Cb -0.14 -1.87 0.05 0.00 1.00 0.00 0.00 33.01 32.04 1x5g s GLN 64 CO 0.20 -0.55 0.33 0.16 -2.12 0.00 0.00 175.29 173.30 1x5g s ASP 65 N -4.15 -0.38 -0.02 5.90 -4.77 -1.26 -3.32 116.67 108.67 1x5g s ASP 65 Ca 0.22 0.70 0.03 0.00 -3.30 0.00 0.00 52.55 50.19 1x5g s ASP 65 Cb -0.01 0.62 -0.00 0.00 -1.09 0.00 0.00 42.92 42.44 1x5g s ASP 65 CO 0.13 -0.16 -0.10 0.68 0.70 0.00 0.00 175.17 176.42 1x5g s VAL 66 N 0.96 0.86 0.05 2.11 -7.23 0.64 -4.98 120.40 112.80 1x5g s VAL 66 Ca -0.06 -0.42 -0.31 0.00 -1.81 0.00 0.00 61.98 59.39 1x5g s VAL 66 Cb -0.07 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 1x5g s VAL 66 CO -0.07 0.26 1.38 -0.62 -0.31 0.00 0.00 175.10 175.73 1x5g s ASP 67 N 0.07 6.87 -0.07 4.85 2.15 -1.26 -2.53 116.67 126.74 1x5g s ASP 67 Ca -0.01 2.18 0.01 0.00 0.43 0.00 0.00 52.55 55.15 1x5g s ASP 67 Cb -0.08 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1x5g s ASP 67 CO 0.00 -0.67 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.57 1x5g s VAL 68 N 1.82 0.86 -0.80 1.11 1.01 -1.10 -4.99 120.40 118.30 1x5g s VAL 68 Ca 0.64 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1x5g s VAL 68 Cb -0.33 -0.85 0.35 0.00 0.00 0.00 0.00 36.38 35.55 1x5g s VAL 68 CO 0.28 0.31 1.71 -1.20 0.00 0.00 0.00 175.10 176.20 1x5g n SER 69 N 4.27 6.70 -3.66 3.32 7.64 -1.26 -3.53 113.62 127.10 1x5g n SER 69 Ca -0.20 -3.77 0.01 0.00 1.01 0.00 0.00 58.87 55.92 1x5g n SER 69 Cb 0.51 -0.94 0.01 0.00 -1.01 0.00 0.00 64.21 62.79 1x5g n SER 69 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5g s SER 70 N -1.81 0.00 0.09 6.43 0.01 -1.26 -5.03 113.70 112.13 1x5g s SER 70 Ca 0.48 -0.37 0.19 0.00 1.31 0.00 0.00 55.95 57.56 1x5g s SER 70 Cb 0.35 0.27 -0.11 0.00 0.21 0.00 0.00 66.02 66.74 1x5g s SER 70 CO -0.28 -0.53 0.85 1.41 0.41 0.00 0.00 173.24 175.10 1x5g n HIS 71 N -0.83 0.92 -3.92 2.43 8.25 -1.26 -4.81 115.22 116.00 1x5g n HIS 71 Ca 0.01 0.30 -0.28 0.00 -0.26 0.00 0.00 57.72 57.49 1x5g n HIS 71 Cb 0.59 -1.03 -0.17 0.00 1.12 0.00 0.00 29.99 30.50 1x5g n HIS 71 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1x5g s SER 72 N -5.61 2.49 0.33 0.41 1.04 -1.26 -2.46 113.70 108.64 1x5g s SER 72 Ca -0.03 -0.46 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1x5g s SER 72 Cb 0.09 -0.93 -0.05 0.00 0.10 0.00 0.00 66.02 65.22 1x5g s SER 72 CO 0.81 -0.13 -0.05 -0.47 0.98 0.00 0.00 173.24 174.39 1x5g s TYR 73 N 1.64 2.49 -0.14 5.02 5.04 -0.81 -5.01 117.35 125.58 1x5g s TYR 73 Ca 0.04 -0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 54.24 1x5g s TYR 73 Cb -0.13 -1.37 0.03 0.00 0.35 0.00 0.00 41.96 40.84 1x5g s TYR 73 CO -0.08 0.55 -0.07 0.99 -1.34 0.00 0.00 175.55 175.60 1x5g s THR 74 N -2.52 1.08 -0.26 4.34 2.01 -1.26 -1.73 115.64 117.30 1x5g s THR 74 Ca 0.33 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1x5g s THR 74 Cb -0.01 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1x5g s THR 74 CO 0.18 0.26 0.20 -0.63 -0.69 0.00 0.00 174.62 173.94 1x5g s ILE 75 N 1.67 5.31 0.24 1.82 1.01 0.14 -4.92 121.20 126.47 1x5g s ILE 75 Ca 0.03 0.23 0.09 0.00 0.00 0.00 0.00 60.65 61.00 1x5g s ILE 75 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1x5g s ILE 75 CO -0.08 0.28 0.04 0.20 0.00 0.00 0.00 174.94 175.38 1x5g s ASN 76 N 1.42 4.79 0.00 3.58 0.01 -1.26 0.02 114.94 123.50 1x5g s ASN 76 Ca 0.08 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1x5g s ASN 76 Cb -0.15 -0.99 0.00 0.00 0.41 0.00 0.00 41.25 40.52 1x5g s ASN 76 CO 0.08 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.30 1x5g n GLY 77 N -0.76 0.56 3.53 0.66 0.00 0.45 -4.96 105.19 104.67 1x5g n GLY 77 Ca -0.07 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.59 2.49 0.87 0.99 1.43 0.39 -5.02 118.68 119.24 1x5g s LEU 78 Ca 0.00 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.60 1x5g s LEU 78 Cb 0.00 -0.61 0.15 0.00 0.03 0.00 0.00 46.19 45.75 1x5g s LEU 78 CO 0.00 -0.54 1.21 -0.54 0.23 0.00 0.00 176.35 176.71 1x5g s LYS 79 N -3.81 1.24 -0.06 1.70 -0.14 -1.26 -4.33 119.74 113.08 1x5g s LYS 79 Ca 0.36 -0.39 -0.03 0.00 -1.36 0.00 0.00 55.97 54.54 1x5g s LYS 79 Cb 0.09 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.23 1x5g s LYS 79 CO 0.17 -1.97 0.10 0.15 -0.76 0.00 0.00 175.35 173.03 1x5g s LYS 80 N -5.64 3.22 -1.77 1.68 3.01 -1.20 -4.36 119.74 114.68 1x5g s LYS 80 Ca 0.69 -0.32 0.00 0.00 -1.01 0.00 0.00 55.97 55.32 1x5g s LYS 80 Cb -0.06 -2.99 0.00 0.00 -1.01 0.00 0.00 37.83 33.77 1x5g s LYS 80 CO 0.50 0.71 0.00 0.98 0.51 0.00 0.00 175.35 178.05 1x5g n TYR 81 N 1.65 -0.88 -4.81 3.18 9.36 -0.77 -4.96 117.16 119.92 1x5g n TYR 81 Ca -0.16 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.73 1x5g n TYR 81 Cb 0.54 -3.76 -0.13 0.00 -0.63 0.00 0.00 39.34 35.36 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 -2.94 3.18 0.42 2.97 2.01 -1.26 -4.82 115.64 115.19 1x5g s THR 82 Ca 0.00 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 1x5g s THR 82 Cb 0.00 -2.28 -0.11 0.00 0.01 0.00 0.00 72.50 70.12 1x5g s THR 82 CO 0.00 0.58 0.95 -0.70 -0.69 0.00 0.00 174.62 174.75 1x5g s GLU 83 N -0.47 4.27 -0.08 4.92 2.12 -1.26 -2.44 118.70 125.76 1x5g s GLU 83 Ca 0.06 1.14 -0.05 0.00 0.36 0.00 0.00 54.97 56.49 1x5g s GLU 83 Cb -0.12 -2.26 0.03 0.00 0.26 0.00 0.00 34.13 32.05 1x5g s GLU 83 CO 0.02 0.01 0.19 0.71 -0.54 0.00 0.00 175.26 175.65 1x5g s TYR 84 N -2.11 -0.23 0.03 5.30 2.02 0.94 -2.49 117.35 120.81 1x5g s TYR 84 Ca 0.60 0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 57.71 1x5g s TYR 84 Cb -0.10 0.02 -0.06 0.00 -0.40 0.00 0.00 41.96 41.41 1x5g s TYR 84 CO 0.14 -0.16 0.54 0.45 -1.57 0.00 0.00 175.55 174.95 1x5g s SER 85 N 0.80 6.98 -0.02 2.29 0.15 0.06 -0.53 113.70 123.43 1x5g s SER 85 Ca -0.06 1.16 0.02 0.00 0.70 0.00 0.00 55.95 57.77 1x5g s SER 85 Cb -0.07 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1x5g s SER 85 CO -0.05 0.24 -0.06 -0.36 1.20 0.00 0.00 173.24 174.21 1x5g s PHE 86 N -0.84 0.70 -0.05 3.44 0.08 -0.87 -2.28 117.98 118.17 1x5g s PHE 86 Ca 0.28 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.13 1x5g s PHE 86 Cb -0.18 -0.52 0.02 0.00 -0.57 0.00 0.00 43.02 41.76 1x5g s PHE 86 CO 0.17 -0.08 0.13 -0.98 -0.10 0.00 0.00 175.22 174.36 1x5g s ARG 87 N 0.26 0.14 -0.16 0.44 1.70 -1.23 -0.62 118.95 119.48 1x5g s ARG 87 Ca -0.03 0.22 -0.03 0.00 -0.47 0.00 0.00 55.73 55.42 1x5g s ARG 87 Cb -0.08 0.02 -0.02 0.00 -0.57 0.00 0.00 34.95 34.30 1x5g s ARG 87 CO 0.00 -0.05 -0.07 0.08 -1.08 0.00 0.00 175.30 174.18 1x5g s VAL 88 N 0.32 3.56 -0.07 4.99 1.01 -1.26 -1.91 120.40 127.04 1x5g s VAL 88 Ca -0.02 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1x5g s VAL 88 Cb -0.03 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1x5g s VAL 88 CO -0.01 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.67 1x5g s VAL 89 N 0.51 1.89 0.05 2.92 1.01 -0.95 -2.95 120.40 122.88 1x5g s VAL 89 Ca -0.05 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 1x5g s VAL 89 Cb -0.15 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 1x5g s VAL 89 CO 0.03 0.53 0.66 0.00 0.00 0.00 0.00 175.10 176.31 1x5g s ALA 90 N 0.10 3.48 -0.25 5.51 0.00 -1.26 -2.63 121.76 126.70 1x5g s ALA 90 Ca -0.10 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1x5g s ALA 90 Cb -0.15 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.23 1x5g s ALA 90 CO 0.05 0.22 -0.05 0.71 0.00 0.00 0.00 175.76 176.69 1x5g s TYR 91 N -0.52 2.75 0.22 0.00 2.02 -1.23 -3.12 117.35 117.47 1x5g s TYR 91 Ca 0.33 -2.04 0.06 0.00 -0.37 0.00 0.00 57.07 55.05 1x5g s TYR 91 Cb -0.20 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1x5g s TYR 91 CO 0.20 -0.83 0.23 -0.80 -1.57 0.00 0.00 175.55 172.79 1x5g s ASN 92 N 1.27 5.82 0.56 2.29 0.01 -1.21 0.22 114.94 123.89 1x5g s ASN 92 Ca -0.05 -0.10 0.46 0.00 -0.71 0.00 0.00 52.86 52.46 1x5g s ASN 92 Cb -0.19 -1.58 1.66 0.00 0.41 0.00 0.00 41.25 41.55 1x5g s ASN 92 CO -0.07 -0.01 1.64 0.07 -1.51 0.00 0.00 177.10 177.22 1x5g h LYS 93 N 1.68 0.00 0.12 -0.60 2.10 -1.92 -0.73 116.57 117.21 1x5g h LYS 93 Ca -0.49 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1x5g h LYS 93 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1x5g h LYS 93 CO 0.62 0.00 -0.06 0.45 -2.00 0.00 0.00 179.45 178.47 1x5g h HIS 94 N 0.00 -0.14 0.00 0.07 3.86 -1.93 -3.50 115.15 113.50 1x5g h HIS 94 Ca 0.81 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 60.01 1x5g h HIS 94 Cb 3.26 0.05 0.00 0.00 1.06 0.00 0.00 27.41 31.78 1x5g h HIS 94 CO 0.00 -0.09 0.00 0.41 0.86 0.00 0.00 177.93 179.11 1x5g n GLY 95 N 1.28 0.17 3.62 2.45 0.00 -0.28 -5.12 105.19 107.31 1x5g n GLY 95 Ca -0.02 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 3.70 0.00 1.61 0.04 -1.26 -3.33 135.00 133.76 1x5g s PRO 96 Ca 0.00 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1x5g s PRO 96 Cb 0.00 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1x5g s PRO 96 CO 0.00 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1x5g n GLY 97 N 4.83 -1.70 2.41 0.56 0.00 -1.18 -4.98 105.19 105.13 1x5g n GLY 97 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.97 1.61 0.24 -1.25 -4.99 118.33 109.96 1x5g n VAL 98 Ca 0.00 -1.15 -0.24 0.00 -2.04 0.00 0.00 64.34 60.91 1x5g n VAL 98 Cb 0.00 -0.77 -0.17 0.00 -1.47 0.00 0.00 33.84 31.43 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 -3.28 1.63 0.82 -1.34 0.15 -1.26 -4.29 113.70 106.13 1x5g s SER 99 Ca 0.38 -0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.71 1x5g s SER 99 Cb -0.03 -0.60 0.03 0.00 -1.71 0.00 0.00 66.02 63.72 1x5g s SER 99 CO 0.25 -0.12 0.79 0.35 1.20 0.00 0.00 173.24 175.70 1x5g n THR 100 N 4.71 1.44 -2.22 6.45 -2.24 -1.15 -4.92 114.28 116.35 1x5g n THR 100 Ca -0.14 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 60.96 1x5g n THR 100 Cb 0.50 -0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 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 -3.55 4.39 0.06 -0.78 0.04 -1.26 -4.70 135.00 129.19 1x5g s PRO 101 Ca 0.67 2.04 -0.37 0.00 0.04 0.00 0.00 61.00 63.38 1x5g s PRO 101 Cb -0.29 -3.20 -0.18 0.00 0.04 0.00 0.00 34.50 30.86 1x5g s PRO 101 CO 0.57 -0.26 1.07 -0.25 0.04 0.00 0.00 177.00 178.17 1x5g n ASP 102 N 2.72 0.33 -4.01 6.66 8.00 -1.26 -4.82 116.55 124.17 1x5g n ASP 102 Ca 0.06 1.15 -0.32 0.00 0.71 0.00 0.00 54.79 56.39 1x5g n ASP 102 Cb 0.43 -1.01 -0.10 0.00 -0.02 0.00 0.00 41.12 40.42 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 -0.05 3.50 -0.12 2.53 1.01 0.21 -4.88 120.40 122.61 1x5g s VAL 103 Ca 0.84 -3.87 -0.30 0.00 0.00 0.00 0.00 61.98 58.66 1x5g s VAL 103 Cb -1.12 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1x5g s VAL 103 CO 0.54 -1.00 1.25 0.00 0.00 0.00 0.00 175.10 175.89 1x5g s ALA 104 N -1.13 3.60 0.03 5.51 0.00 -1.25 -2.04 121.76 126.47 1x5g s ALA 104 Ca 0.24 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1x5g s ALA 104 Cb -0.10 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1x5g s ALA 104 CO -0.12 -1.01 -0.12 0.54 0.00 0.00 0.00 175.76 175.05 1x5g s VAL 105 N 2.98 0.95 -0.18 0.00 0.11 0.31 -4.88 120.40 119.71 1x5g s VAL 105 Ca 0.56 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1x5g s VAL 105 Cb -0.23 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1x5g s VAL 105 CO 0.18 -0.01 0.09 -0.60 -3.33 0.00 0.00 175.10 171.44 1x5g s ARG 106 N -1.00 3.94 1.18 1.54 3.52 -1.26 -0.04 118.95 126.82 1x5g s ARG 106 Ca 0.00 -0.28 -0.20 0.00 -0.13 0.00 0.00 55.73 55.13 1x5g s ARG 106 Cb -0.07 -3.26 0.29 0.00 -1.56 0.00 0.00 34.95 30.34 1x5g s ARG 106 CO 0.01 0.37 1.18 0.95 -0.81 0.00 0.00 175.30 177.00 1x5g s THR 107 N 0.12 1.64 0.56 4.11 -4.23 -1.02 -4.77 115.64 112.05 1x5g s THR 107 Ca 0.07 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 1x5g s THR 107 Cb -0.12 -2.63 -0.06 0.00 1.34 0.00 0.00 72.50 71.03 1x5g s THR 107 CO -0.00 0.00 1.01 -0.76 -0.54 0.00 0.00 174.62 174.33 1x5g s LEU 108 N -6.75 3.45 -0.28 4.79 1.43 -1.26 -4.00 118.68 116.06 1x5g s LEU 108 Ca 0.74 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 1x5g s LEU 108 Cb -0.06 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1x5g s LEU 108 CO 0.55 -0.73 0.18 -0.94 0.23 0.00 0.00 176.35 175.64 1x5g s SER 109 N -3.53 5.87 0.78 2.29 1.04 -1.26 -1.85 113.70 117.04 1x5g s SER 109 Ca 0.57 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.78 1x5g s SER 109 Cb -0.11 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 63.99 1x5g s SER 109 CO 0.41 -0.07 1.13 1.51 0.98 0.00 0.00 173.24 177.19 1x5g s ASP 110 N 1.73 4.21 0.05 7.02 1.47 -1.26 -5.00 116.67 124.88 1x5g s ASP 110 Ca 0.07 2.03 0.00 0.00 1.18 0.00 0.00 52.55 55.82 1x5g s ASP 110 Cb -0.16 -2.55 0.00 0.00 -0.34 0.00 0.00 42.92 39.87 1x5g s ASP 110 CO 0.10 -2.24 0.00 -1.20 0.68 0.00 0.00 175.17 172.51 1x5g n SER 111 N -3.34 0.49 0.00 2.11 7.64 -1.26 -5.11 113.62 114.15 1x5g n SER 111 Ca 0.11 0.07 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1x5g n SER 111 Cb 0.52 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1x5g n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 112 N 3.18 -1.37 0.22 0.23 0.00 -1.26 -5.00 105.19 101.19 1x5g n GLY 112 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 46.02 45.13 1x5g n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5g h PRO 113 N 0.00 0.00 -0.62 1.61 0.13 -2.07 -3.31 132.00 127.74 1x5g h PRO 113 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1x5g h PRO 113 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1x5g h PRO 113 CO 0.00 0.27 -0.37 0.43 -0.23 0.00 0.00 178.00 178.10 1x5g n SER 114 N -3.57 -0.66 -4.73 1.44 7.64 -1.26 -4.26 113.62 108.22 1x5g n SER 114 Ca -0.01 1.25 -0.42 0.00 1.01 0.00 0.00 58.87 60.71 1x5g n SER 114 Cb 0.41 -0.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 1x5g n SER 114 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5g s SER 115 N -4.93 6.41 0.00 6.43 1.04 -1.25 -5.25 113.70 116.15 1x5g s SER 115 Ca -0.07 2.86 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1x5g s SER 115 Cb 0.07 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1x5g s SER 115 CO 0.39 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.29