#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5g n SER 2 N 0.00 -0.82 -0.11 1.61 3.41 -1.26 -4.76 113.62 111.69 1x5g n SER 2 Ca 0.00 -0.91 -0.16 0.00 -0.26 0.00 0.00 58.87 57.54 1x5g n SER 2 Cb 0.00 -1.15 -0.05 0.00 -0.26 0.00 0.00 64.21 62.74 1x5g n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x5g n SER 3 N -1.66 1.94 0.00 4.04 7.64 -1.26 -5.12 113.62 119.19 1x5g n SER 3 Ca 0.01 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1x5g n SER 3 Cb 0.37 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1x5g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 4 N 1.40 4.14 2.94 0.23 0.00 -1.26 -5.16 105.19 107.49 1x5g n GLY 4 Ca -0.27 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -0.07 -0.14 1.61 0.01 -1.26 -5.15 113.70 108.70 1x5g s SER 5 Ca 0.00 0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.32 1x5g s SER 5 Cb 0.00 0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.43 1x5g s SER 5 CO 0.00 -0.03 0.33 -0.44 0.41 0.00 0.00 173.24 173.51 1x5g s SER 6 N 0.01 -0.30 0.00 2.44 0.01 -1.26 -4.97 113.70 109.62 1x5g s SER 6 Ca -0.00 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1x5g s SER 6 Cb -0.01 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.87 1x5g s SER 6 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1x5g n GLY 7 N 4.43 2.28 3.70 3.44 0.00 -1.26 -4.89 105.19 112.90 1x5g n GLY 7 Ca -0.22 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1x5g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5g n ARG 8 N 0.00 -2.87 -1.05 1.61 5.12 -1.26 -4.77 116.66 113.44 1x5g n ARG 8 Ca 0.00 0.53 -0.37 0.00 -1.93 0.00 0.00 57.85 56.08 1x5g n ARG 8 Cb 0.00 -4.68 -0.03 0.00 -1.16 0.00 0.00 32.46 26.59 1x5g n ARG 8 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1x5g n VAL 9 N -4.17 1.07 -3.41 1.55 0.31 -1.26 -4.85 118.33 107.56 1x5g n VAL 9 Ca -0.20 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.43 1x5g n VAL 9 Cb 0.64 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.55 1x5g n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1x5g s GLU 10 N -0.54 3.87 -0.62 5.55 8.01 -1.26 -4.93 118.70 128.78 1x5g s GLU 10 Ca 0.52 -3.10 0.05 0.00 0.01 0.00 0.00 54.97 52.45 1x5g s GLU 10 Cb -0.75 -4.38 0.18 0.00 -4.31 0.00 0.00 34.13 24.87 1x5g s GLU 10 CO 0.41 -1.25 0.48 0.25 0.01 0.00 0.00 175.26 175.16 1x5g n THR 11 N 2.83 0.93 -3.55 3.63 -2.24 -1.26 -5.06 114.28 109.55 1x5g n THR 11 Ca 0.21 -4.52 -0.14 0.00 -2.27 0.00 0.00 64.05 57.33 1x5g n THR 11 Cb 0.40 -2.04 -0.06 0.00 -2.10 0.00 0.00 70.33 66.53 1x5g n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5g s GLN 12 N -1.17 0.84 1.12 -0.78 0.00 -1.26 -5.18 119.66 113.23 1x5g s GLN 12 Ca 0.28 0.26 -0.16 0.00 -0.00 0.00 0.00 55.36 55.74 1x5g s GLN 12 Cb -0.00 0.40 0.25 0.00 0.00 0.00 0.00 33.01 33.66 1x5g s GLN 12 CO -0.16 -0.25 1.10 -1.25 0.00 0.00 0.00 175.29 174.73 1x5g s PRO 13 N -1.02 -0.59 0.27 9.60 0.04 -1.26 -4.93 135.00 137.11 1x5g s PRO 13 Ca -0.06 0.16 -0.28 0.00 0.04 0.00 0.00 61.00 60.86 1x5g s PRO 13 Cb -0.01 -1.65 -0.15 0.00 0.04 0.00 0.00 34.50 32.73 1x5g s PRO 13 CO 0.06 -3.33 0.82 -1.91 0.04 0.00 0.00 177.00 172.67 1x5g n GLU 14 N -4.54 0.85 -4.39 4.56 4.07 -1.26 -4.98 120.64 114.96 1x5g n GLU 14 Ca 0.10 0.30 -0.25 0.00 -0.06 0.00 0.00 57.16 57.25 1x5g n GLU 14 Cb 0.59 -1.54 -0.09 0.00 -0.06 0.00 0.00 31.44 30.33 1x5g n GLU 14 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1x5g s VAL 15 N -1.07 2.84 -1.27 6.31 0.11 -1.26 -5.06 120.40 121.00 1x5g s VAL 15 Ca 0.61 -2.09 -0.14 0.00 -2.93 0.00 0.00 61.98 57.42 1x5g s VAL 15 Cb -0.77 -2.47 0.13 0.00 -1.53 0.00 0.00 36.38 31.74 1x5g s VAL 15 CO 0.59 -0.30 1.68 0.00 -3.33 0.00 0.00 175.10 173.73 1x5g n GLN 16 N -0.45 3.31 -4.25 1.54 10.64 -1.26 -4.94 117.38 121.97 1x5g n GLN 16 Ca -0.08 -3.51 -0.14 0.00 -1.83 0.00 0.00 57.00 51.45 1x5g n GLN 16 Cb 0.58 -3.18 -0.10 0.00 -0.86 0.00 0.00 30.24 26.68 1x5g n GLN 16 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1x5g s LEU 17 N 2.12 2.45 1.00 2.61 2.01 -1.26 -4.82 118.68 122.79 1x5g s LEU 17 Ca 0.46 -1.05 -0.12 0.00 0.01 0.00 0.00 54.13 53.42 1x5g s LEU 17 Cb 0.03 -0.29 0.19 0.00 0.01 0.00 0.00 46.19 46.12 1x5g s LEU 17 CO 0.02 -0.38 1.09 -2.16 1.01 0.00 0.00 176.35 175.92 1x5g s PRO 18 N -3.78 0.43 0.54 1.29 0.04 -1.26 -4.62 135.00 127.63 1x5g s PRO 18 Ca 0.18 0.53 0.06 0.00 0.04 0.00 0.00 61.00 61.82 1x5g s PRO 18 Cb 0.03 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.90 1x5g s PRO 18 CO 0.02 -2.73 0.75 0.20 0.04 0.00 0.00 177.00 175.27 1x5g s GLY 19 N -3.44 1.82 -0.05 0.56 0.00 -1.12 -3.94 107.32 101.15 1x5g s GLY 19 Ca 0.65 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.27 1x5g s GLY 19 CO 0.58 -1.44 1.49 2.56 0.00 0.00 0.00 173.10 176.28 1x5g s PRO 20 N -4.65 4.23 -0.37 2.90 0.04 -1.26 -4.68 135.00 131.20 1x5g s PRO 20 Ca 0.60 2.02 -0.39 0.00 0.04 0.00 0.00 61.00 63.26 1x5g s PRO 20 Cb -0.08 -3.78 -0.14 0.00 0.04 0.00 0.00 34.50 30.54 1x5g s PRO 20 CO 0.38 -0.72 2.07 0.00 0.04 0.00 0.00 177.00 178.76 1x5g n ALA 21 N 6.36 0.55 -1.04 8.56 0.00 -1.26 -4.65 120.51 129.03 1x5g n ALA 21 Ca 0.15 0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 1x5g n ALA 21 Cb 0.43 -2.35 0.17 0.00 0.00 0.00 0.00 19.45 17.70 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 7.33 -2.49 -4.12 0.00 -0.04 -1.19 -4.03 135.00 130.46 1x5g n PRO 22 Ca 0.41 -1.20 -0.32 0.00 -0.04 0.00 0.00 63.50 62.35 1x5g n PRO 22 Cb 0.14 -1.13 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -4.29 -0.35 -4.55 3.54 5.03 -1.26 -1.47 115.26 111.91 1x5g n ASN 23 Ca 0.10 -1.10 -0.41 0.00 0.87 0.00 0.00 54.58 54.05 1x5g n ASN 23 Cb 0.40 -1.39 -0.03 0.00 -1.02 0.00 0.00 39.78 37.75 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 -6.63 3.19 0.25 3.41 2.96 -1.26 -3.84 118.68 116.77 1x5g s LEU 24 Ca 0.36 -0.37 0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1x5g s LEU 24 Cb -0.21 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1x5g s LEU 24 CO 0.88 -1.91 0.18 -0.13 -1.32 0.00 0.00 176.35 174.05 1x5g s ARG 25 N 5.91 2.86 -0.27 1.98 1.81 0.94 -5.00 118.95 127.19 1x5g s ARG 25 Ca 0.40 -1.10 -0.13 0.00 -1.72 0.00 0.00 55.73 53.19 1x5g s ARG 25 Cb -0.08 -2.52 0.09 0.00 -0.45 0.00 0.00 34.95 31.99 1x5g s ARG 25 CO 0.15 0.39 0.63 0.00 -0.68 0.00 0.00 175.30 175.79 1x5g s ALA 26 N -2.16 -1.77 0.00 2.13 0.00 -1.26 -1.88 121.76 116.83 1x5g s ALA 26 Ca 0.33 2.23 -0.07 0.00 0.00 0.00 0.00 51.96 54.45 1x5g s ALA 26 Cb -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.60 1x5g s ALA 26 CO 0.24 -0.52 0.14 1.52 0.00 0.00 0.00 175.76 177.14 1x5g s TYR 27 N 1.97 0.04 -0.56 0.00 1.13 -0.59 -4.99 117.35 114.35 1x5g s TYR 27 Ca -0.08 -0.13 -0.24 0.00 -1.41 0.00 0.00 57.07 55.20 1x5g s TYR 27 Cb -0.08 -0.05 0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1x5g s TYR 27 CO -0.18 -0.29 0.96 0.00 -2.51 0.00 0.00 175.55 173.52 1x5g s ALA 28 N -1.39 3.15 0.25 9.51 0.00 -1.26 -0.88 121.76 131.14 1x5g s ALA 28 Ca -0.15 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.56 1x5g s ALA 28 Cb -0.08 -3.76 0.32 0.00 0.00 0.00 0.00 23.12 19.60 1x5g s ALA 28 CO 0.02 -2.44 1.64 0.00 0.00 0.00 0.00 175.76 174.98 1x5g h ALA 29 N 9.35 0.96 -2.42 0.00 0.00 -1.88 -3.44 119.26 121.83 1x5g h ALA 29 Ca -0.26 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1x5g h ALA 29 Cb 1.07 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 1x5g h ALA 29 CO 1.10 0.62 -0.56 -1.12 0.00 0.00 0.00 179.25 179.29 1x5g s SER 30 N -6.86 0.29 0.00 0.00 0.01 -1.22 -5.00 113.70 100.91 1x5g s SER 30 Ca -0.06 -1.01 0.15 0.00 1.31 0.00 0.00 55.95 56.34 1x5g s SER 30 Cb 0.13 0.30 0.79 0.00 0.21 0.00 0.00 66.02 67.44 1x5g s SER 30 CO 0.80 -0.72 1.39 -0.81 0.41 0.00 0.00 173.24 174.31 1x5g n PRO 31 N -0.05 0.27 0.00 12.44 -0.04 -1.26 -2.40 135.00 143.97 1x5g n PRO 31 Ca -0.10 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1x5g n PRO 31 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.22 0.00 -4.36 0.52 -2.24 -1.26 -3.19 114.28 102.53 1x5g n THR 32 Ca 0.08 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 1x5g n THR 32 Cb 0.10 1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 69.62 1x5g n THR 32 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1x5g s SER 33 N -0.11 1.65 -0.16 3.42 0.15 -1.01 0.62 113.70 118.27 1x5g s SER 33 Ca 0.00 -1.53 -0.09 0.00 0.70 0.00 0.00 55.95 55.03 1x5g s SER 33 Cb 0.00 0.33 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1x5g s SER 33 CO 0.00 -0.85 0.39 -0.63 1.20 0.00 0.00 173.24 173.35 1x5g s ILE 34 N -3.57 -0.02 -0.25 6.45 1.01 0.28 -3.45 121.20 121.65 1x5g s ILE 34 Ca 0.35 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.01 1x5g s ILE 34 Cb 0.05 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1x5g s ILE 34 CO 0.16 0.03 0.08 -0.89 0.00 0.00 0.00 174.94 174.33 1x5g s THR 35 N 1.20 4.39 -0.12 2.92 2.01 -0.06 -1.26 115.64 124.73 1x5g s THR 35 Ca -0.08 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1x5g s THR 35 Cb -0.08 -3.05 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1x5g s THR 35 CO -0.10 0.34 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.31 1x5g s VAL 36 N 1.57 2.71 -0.06 3.82 1.01 -1.04 -1.54 120.40 126.86 1x5g s VAL 36 Ca 0.06 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1x5g s VAL 36 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1x5g s VAL 36 CO 0.04 0.54 -0.13 0.42 0.00 0.00 0.00 175.10 175.97 1x5g s THR 37 N 0.30 1.18 0.23 3.92 -4.23 -0.79 -2.70 115.64 113.55 1x5g s THR 37 Ca -0.13 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1x5g s THR 37 Cb -0.16 -1.07 -0.05 0.00 1.34 0.00 0.00 72.50 72.56 1x5g s THR 37 CO 0.07 0.36 0.03 -1.66 -0.54 0.00 0.00 174.62 172.88 1x5g s TRP 38 N 0.61 1.51 0.34 3.99 -2.14 -0.95 -0.04 118.94 122.27 1x5g s TRP 38 Ca -0.14 -1.02 0.09 0.00 2.66 0.00 0.00 56.10 57.69 1x5g s TRP 38 Cb -0.16 -0.89 -0.05 0.00 -3.10 0.00 0.00 33.47 29.28 1x5g s TRP 38 CO 0.04 -0.15 0.04 -1.21 -2.66 0.00 0.00 176.95 173.00 1x5g s GLU 39 N -3.92 2.13 0.06 3.25 0.41 -0.54 -4.80 118.70 115.28 1x5g s GLU 39 Ca 0.31 -1.72 -0.23 0.00 -0.41 0.00 0.00 54.97 52.91 1x5g s GLU 39 Cb 0.07 -1.97 -0.06 0.00 -1.78 0.00 0.00 34.13 30.39 1x5g s GLU 39 CO 0.10 0.12 0.71 0.99 -0.49 0.00 0.00 175.26 176.69 1x5g s THR 40 N -2.51 4.70 -0.44 3.63 2.01 -1.26 -3.14 115.64 118.63 1x5g s THR 40 Ca 0.35 1.51 -0.28 0.00 0.31 0.00 0.00 61.69 63.59 1x5g s THR 40 Cb -0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1x5g s THR 40 CO 0.20 0.43 1.75 -2.16 -0.69 0.00 0.00 174.62 174.15 1x5g s PRO 41 N -0.40 3.13 0.47 4.92 0.04 -1.26 -4.60 135.00 137.30 1x5g s PRO 41 Ca 0.35 1.07 0.38 0.00 0.04 0.00 0.00 61.00 62.83 1x5g s PRO 41 Cb -0.20 -4.23 1.57 0.00 0.04 0.00 0.00 34.50 31.67 1x5g s PRO 41 CO 0.22 -2.11 1.57 1.33 0.04 0.00 0.00 177.00 178.05 1x5g n VAL 42 N 7.29 -0.19 -3.11 -0.36 0.24 -1.26 -3.60 118.33 117.34 1x5g n VAL 42 Ca 0.21 1.73 -0.44 0.00 -2.04 0.00 0.00 64.34 63.80 1x5g n VAL 42 Cb 0.49 -2.85 -0.06 0.00 -1.47 0.00 0.00 33.84 29.95 1x5g n VAL 42 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x5g s SER 43 N -4.15 6.23 -0.28 -1.34 0.15 -1.26 -4.98 113.70 108.06 1x5g s SER 43 Ca -0.07 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.69 1x5g s SER 43 Cb 0.30 -2.31 0.15 0.00 -1.71 0.00 0.00 66.02 62.46 1x5g s SER 43 CO 0.85 -0.96 0.39 -0.83 1.20 0.00 0.00 173.24 173.89 1x5g s GLY 44 N 2.81 -0.51 0.28 9.45 0.00 -1.24 -2.79 107.32 115.32 1x5g s GLY 44 Ca 0.17 0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.14 1x5g s GLY 44 CO 0.12 2.96 1.68 3.45 0.00 0.00 0.00 173.10 181.32 1x5g h ASN 45 N 8.17 0.17 -3.16 1.64 -1.07 -1.93 -3.41 115.58 115.99 1x5g h ASN 45 Ca -0.10 0.16 -0.65 0.00 0.07 0.00 0.00 56.30 55.78 1x5g h ASN 45 Cb 1.12 0.18 -0.17 0.00 -2.07 0.00 0.00 38.32 37.37 1x5g h ASN 45 CO 0.27 -0.04 -0.79 -0.83 0.07 0.00 0.00 177.43 176.11 1x5g s GLY 46 N -3.75 1.71 -0.07 9.14 0.00 -1.26 -5.09 107.32 108.00 1x5g s GLY 46 Ca -0.12 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 42.72 1x5g s GLY 46 CO 0.77 -1.60 1.50 -0.54 0.00 0.00 0.00 173.10 173.23 1x5g s GLU 47 N -2.69 4.22 -0.27 2.90 0.41 -1.26 -4.88 118.70 117.12 1x5g s GLU 47 Ca 0.22 2.02 -0.39 0.00 -0.41 0.00 0.00 54.97 56.41 1x5g s GLU 47 Cb -0.08 -3.83 -0.15 0.00 -1.78 0.00 0.00 34.13 28.29 1x5g s GLU 47 CO 0.11 -0.75 1.84 -0.89 -0.49 0.00 0.00 175.26 175.09 1x5g n ILE 48 N 5.25 0.33 -0.02 -1.63 2.08 -1.26 -4.20 119.36 119.91 1x5g n ILE 48 Ca 0.15 -0.09 -0.16 0.00 0.56 0.00 0.00 62.75 63.21 1x5g n ILE 48 Cb 0.43 -1.37 -0.12 0.00 -0.75 0.00 0.00 39.64 37.84 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 8.32 0.21 -2.83 0.38 1.08 -0.34 -3.48 115.11 118.46 1x5g h GLN 49 Ca -0.43 -0.25 -0.08 0.00 -1.45 0.00 0.00 58.65 56.44 1x5g h GLN 49 Cb 1.31 0.08 -0.18 0.00 -0.05 0.00 0.00 27.48 28.64 1x5g h GLN 49 CO 0.97 1.00 -0.07 0.54 -0.95 0.00 0.00 178.83 180.32 1x5g s ASN 50 N -6.46 -0.35 -0.18 1.46 4.22 -1.22 -5.08 114.94 107.34 1x5g s ASN 50 Ca -0.15 0.16 -0.07 0.00 -2.14 0.00 0.00 52.86 50.66 1x5g s ASN 50 Cb 0.01 0.43 -0.04 0.00 1.28 0.00 0.00 41.25 42.93 1x5g s ASN 50 CO 0.76 -0.62 0.04 -0.31 -2.04 0.00 0.00 177.10 174.94 1x5g s TYR 51 N -2.02 3.19 -0.19 1.54 2.02 -1.15 -3.06 117.35 117.69 1x5g s TYR 51 Ca -0.08 -0.03 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1x5g s TYR 51 Cb -0.02 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1x5g s TYR 51 CO 0.01 0.09 0.03 0.21 -1.57 0.00 0.00 175.55 174.32 1x5g s LYS 52 N 0.43 3.80 -0.20 -0.62 2.20 -1.06 -2.24 119.74 122.05 1x5g s LYS 52 Ca 0.02 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 1x5g s LYS 52 Cb -0.13 -3.13 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 1x5g s LYS 52 CO 0.01 0.16 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.82 1x5g s LEU 53 N 0.63 2.46 0.23 5.43 2.96 -1.11 -1.30 118.68 127.99 1x5g s LEU 53 Ca 0.01 -0.81 -0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1x5g s LEU 53 Cb -0.14 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1x5g s LEU 53 CO 0.02 -0.05 0.41 -0.31 -1.32 0.00 0.00 176.35 175.11 1x5g s TYR 54 N 1.25 3.48 -0.22 5.38 1.51 -0.68 -1.35 117.35 126.73 1x5g s TYR 54 Ca 0.02 0.32 -0.18 0.00 -1.01 0.00 0.00 57.07 56.22 1x5g s TYR 54 Cb -0.15 -1.84 0.06 0.00 -0.11 0.00 0.00 41.96 39.92 1x5g s TYR 54 CO -0.11 0.35 0.57 1.52 -1.11 0.00 0.00 175.55 176.76 1x5g s TYR 55 N -1.94 -0.67 0.10 2.71 1.13 -1.19 -3.15 117.35 114.34 1x5g s TYR 55 Ca 0.38 1.57 -0.20 0.00 -1.41 0.00 0.00 57.07 57.42 1x5g s TYR 55 Cb -0.11 0.27 0.05 0.00 -1.10 0.00 0.00 41.96 41.07 1x5g s TYR 55 CO 0.30 -0.33 0.48 0.00 -2.51 0.00 0.00 175.55 173.49 1x5g s MET 56 N 0.56 1.09 0.00 -3.49 0.23 -1.06 -1.91 119.30 114.72 1x5g s MET 56 Ca -0.02 -0.48 -0.23 0.00 -1.03 0.00 0.00 55.69 53.93 1x5g s MET 56 Cb -0.05 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 1x5g s MET 56 CO -0.03 -0.43 0.69 -2.00 -2.03 0.00 0.00 175.02 171.23 1x5g s GLU 57 N -3.25 4.42 -0.68 3.16 2.12 -1.26 -1.14 118.70 122.07 1x5g s GLU 57 Ca -0.01 0.91 -0.25 0.00 0.36 0.00 0.00 54.97 55.98 1x5g s GLU 57 Cb 0.00 -3.37 -0.13 0.00 0.26 0.00 0.00 34.13 30.89 1x5g s GLU 57 CO -0.08 0.27 2.42 1.17 -0.54 0.00 0.00 175.26 178.50 1x5g n LYS 58 N 2.98 0.70 0.00 4.30 3.00 -1.12 -2.02 118.16 126.00 1x5g n LYS 58 Ca -0.04 -0.39 0.00 0.00 -0.00 0.00 0.00 58.31 57.88 1x5g n LYS 58 Cb 0.51 -3.32 0.00 0.00 0.00 0.00 0.00 35.03 32.22 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 6.37 1.24 0.00 3.14 0.00 -1.26 -4.99 105.19 109.70 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 -0.02 0.00 -1.77 2.61 -1.04 -0.86 -5.03 114.28 108.17 1x5g n THR 60 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1x5g n THR 60 Cb 0.00 -0.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.93 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 -1.95 -3.70 -3.39 8.00 2.03 -1.26 -4.99 116.55 111.29 1x5g n ASP 61 Ca 0.00 0.11 -0.10 0.00 0.52 0.00 0.00 54.79 55.31 1x5g n ASP 61 Cb 0.37 -2.55 -0.09 0.00 -0.72 0.00 0.00 41.12 38.14 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 -3.72 0.32 0.23 -0.67 -0.14 -1.26 -5.16 119.74 109.34 1x5g s LYS 62 Ca 0.00 0.53 0.06 0.00 -1.36 0.00 0.00 55.97 55.20 1x5g s LYS 62 Cb 0.00 -0.51 -0.04 0.00 -1.68 0.00 0.00 37.83 35.60 1x5g s LYS 62 CO 0.00 -0.61 0.21 -1.83 -0.76 0.00 0.00 175.35 172.36 1x5g s GLU 63 N 2.52 3.02 0.27 1.68 1.03 -1.26 -4.61 118.70 121.35 1x5g s GLU 63 Ca 0.11 -0.95 0.01 0.00 0.03 0.00 0.00 54.97 54.17 1x5g s GLU 63 Cb -0.15 -2.65 0.01 0.00 -0.80 0.00 0.00 34.13 30.54 1x5g s GLU 63 CO -0.15 0.43 0.09 1.04 -1.33 0.00 0.00 175.26 175.34 1x5g n GLN 64 N -1.01 1.24 -3.75 -4.83 1.13 -0.80 -4.93 117.38 104.42 1x5g n GLN 64 Ca -0.08 -1.88 -0.13 0.00 -1.94 0.00 0.00 57.00 52.97 1x5g n GLN 64 Cb 0.57 0.38 -0.14 0.00 0.11 0.00 0.00 30.24 31.16 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1x5g s ASP 65 N -2.55 -0.14 -0.12 1.08 -4.77 -1.26 -3.16 116.67 105.74 1x5g s ASP 65 Ca 0.07 0.34 0.02 0.00 -3.30 0.00 0.00 52.55 49.68 1x5g s ASP 65 Cb -0.01 0.23 0.01 0.00 -1.09 0.00 0.00 42.92 42.07 1x5g s ASP 65 CO 0.04 -0.15 -0.19 0.68 0.70 0.00 0.00 175.17 176.26 1x5g s VAL 66 N 1.12 1.80 -0.20 2.11 -7.23 -0.46 -4.98 120.40 112.57 1x5g s VAL 66 Ca -0.09 -0.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 1x5g s VAL 66 Cb -0.11 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1x5g s VAL 66 CO -0.06 0.50 1.40 1.51 -0.31 0.00 0.00 175.10 178.14 1x5g s ASP 67 N 0.89 6.71 -0.02 4.85 1.47 -1.26 -2.73 116.67 126.57 1x5g s ASP 67 Ca -0.07 1.61 0.06 0.00 1.18 0.00 0.00 52.55 55.33 1x5g s ASP 67 Cb -0.15 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 39.88 1x5g s ASP 67 CO -0.02 -0.98 -0.21 -0.69 0.68 0.00 0.00 175.17 173.95 1x5g s VAL 68 N 4.18 1.68 -0.15 2.11 1.01 -0.95 -5.03 120.40 123.24 1x5g s VAL 68 Ca 0.61 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1x5g s VAL 68 Cb -0.22 -1.40 -0.24 0.00 0.00 0.00 0.00 36.38 34.52 1x5g s VAL 68 CO 0.22 0.47 0.22 -1.20 0.00 0.00 0.00 175.10 174.81 1x5g n SER 69 N 2.62 1.94 -4.95 3.32 7.64 -1.26 -2.92 113.62 120.02 1x5g n SER 69 Ca -0.16 0.12 -0.23 0.00 1.01 0.00 0.00 58.87 59.61 1x5g n SER 69 Cb 0.53 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1x5g n SER 69 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5g s SER 70 N -6.79 5.63 -0.08 6.43 1.04 -1.26 -4.83 113.70 113.85 1x5g s SER 70 Ca -0.24 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.54 1x5g s SER 70 Cb 0.07 -1.43 0.17 0.00 0.10 0.00 0.00 66.02 64.93 1x5g s SER 70 CO 0.73 -0.90 1.00 1.41 0.98 0.00 0.00 173.24 176.46 1x5g n HIS 71 N -2.27 0.59 -3.51 5.02 -0.00 -1.26 -4.67 115.22 109.12 1x5g n HIS 71 Ca 0.04 -0.48 -0.04 0.00 -0.00 0.00 0.00 57.72 57.23 1x5g n HIS 71 Cb 0.58 -0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 30.21 1x5g n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1x5g s SER 72 N 0.15 -0.60 0.17 0.41 1.04 -1.26 -2.24 113.70 111.37 1x5g s SER 72 Ca 0.13 0.98 0.08 0.00 0.48 0.00 0.00 55.95 57.62 1x5g s SER 72 Cb 0.10 1.71 -0.04 0.00 0.10 0.00 0.00 66.02 67.89 1x5g s SER 72 CO 0.03 -0.25 -0.17 -0.47 0.98 0.00 0.00 173.24 173.36 1x5g s TYR 73 N 2.72 1.79 -0.19 5.02 5.04 -1.10 -5.01 117.35 125.62 1x5g s TYR 73 Ca 0.04 -0.49 0.01 0.00 -2.44 0.00 0.00 57.07 54.20 1x5g s TYR 73 Cb -0.13 -0.88 0.03 0.00 0.35 0.00 0.00 41.96 41.33 1x5g s TYR 73 CO -0.16 0.33 -0.16 0.99 -1.34 0.00 0.00 175.55 175.20 1x5g s THR 74 N -2.20 1.97 -0.38 4.34 2.01 -1.26 -2.51 115.64 117.61 1x5g s THR 74 Ca 0.17 -1.04 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 1x5g s THR 74 Cb -0.05 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.59 1x5g s THR 74 CO 0.07 0.38 0.35 -0.63 -0.69 0.00 0.00 174.62 174.09 1x5g s ILE 75 N 1.29 5.19 0.51 1.82 1.01 -0.39 -4.93 121.20 125.69 1x5g s ILE 75 Ca 0.02 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1x5g s ILE 75 Cb -0.15 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.47 1x5g s ILE 75 CO -0.11 -0.24 0.58 0.20 0.00 0.00 0.00 174.94 175.37 1x5g s ASN 76 N 1.74 5.08 -0.47 3.58 0.01 -1.26 -0.56 114.94 123.06 1x5g s ASN 76 Ca 0.09 -0.84 -0.01 0.00 -0.71 0.00 0.00 52.86 51.39 1x5g s ASN 76 Cb -0.17 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.46 1x5g s ASN 76 CO 0.12 -1.04 0.39 0.61 -1.51 0.00 0.00 177.10 175.67 1x5g n GLY 77 N -1.92 0.19 3.60 0.66 0.00 -0.81 -4.93 105.19 101.98 1x5g n GLY 77 Ca 0.08 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.60 2.88 0.43 0.99 1.43 0.20 -5.03 118.68 115.98 1x5g s LEU 78 Ca 0.04 -1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 51.88 1x5g s LEU 78 Cb -0.02 -1.20 -0.09 0.00 0.03 0.00 0.00 46.19 44.92 1x5g s LEU 78 CO 0.28 -0.24 0.89 -0.54 0.23 0.00 0.00 176.35 176.96 1x5g s LYS 79 N -3.68 4.03 0.29 1.70 -0.14 -1.26 -4.42 119.74 116.26 1x5g s LYS 79 Ca 0.34 0.88 -0.26 0.00 -1.36 0.00 0.00 55.97 55.57 1x5g s LYS 79 Cb 0.02 -2.25 -0.09 0.00 -1.68 0.00 0.00 37.83 33.82 1x5g s LYS 79 CO 0.18 -0.06 0.91 0.15 -0.76 0.00 0.00 175.35 175.77 1x5g s LYS 80 N -3.48 4.58 -1.24 1.68 3.01 -1.19 -4.00 119.74 119.10 1x5g s LYS 80 Ca 0.58 1.28 -0.05 0.00 -1.01 0.00 0.00 55.97 56.77 1x5g s LYS 80 Cb -0.10 -2.90 -0.01 0.00 -1.01 0.00 0.00 37.83 33.81 1x5g s LYS 80 CO 0.22 0.34 0.75 0.98 0.51 0.00 0.00 175.35 178.15 1x5g n TYR 81 N 0.76 -1.98 -3.73 3.18 9.36 -1.20 -4.93 117.16 118.62 1x5g n TYR 81 Ca 0.00 0.76 -0.16 0.00 3.32 0.00 0.00 57.90 61.83 1x5g n TYR 81 Cb 0.50 -4.17 -0.16 0.00 -0.63 0.00 0.00 39.34 34.88 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 -3.59 -0.09 0.46 2.97 2.01 -1.26 -4.91 115.64 111.23 1x5g s THR 82 Ca 0.16 0.27 -0.22 0.00 0.31 0.00 0.00 61.69 62.21 1x5g s THR 82 Cb -0.04 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.24 1x5g s THR 82 CO 0.81 0.11 1.10 -0.70 -0.69 0.00 0.00 174.62 175.26 1x5g s GLU 83 N 1.46 3.83 -0.07 4.92 2.12 -1.26 -3.13 118.70 126.58 1x5g s GLU 83 Ca -0.05 1.60 -0.03 0.00 0.36 0.00 0.00 54.97 56.85 1x5g s GLU 83 Cb -0.12 -2.34 0.04 0.00 0.26 0.00 0.00 34.13 31.97 1x5g s GLU 83 CO -0.04 -0.45 0.14 0.71 -0.54 0.00 0.00 175.26 175.09 1x5g s TYR 84 N -1.69 -0.16 0.35 5.30 2.02 -0.32 -2.78 117.35 120.07 1x5g s TYR 84 Ca 0.64 0.48 -0.20 0.00 -0.37 0.00 0.00 57.07 57.62 1x5g s TYR 84 Cb -0.24 -0.08 -0.10 0.00 -0.40 0.00 0.00 41.96 41.14 1x5g s TYR 84 CO 0.29 -0.17 0.84 0.45 -1.57 0.00 0.00 175.55 175.40 1x5g s SER 85 N 1.16 6.96 -0.03 2.29 0.15 -0.29 -1.71 113.70 122.23 1x5g s SER 85 Ca -0.09 1.53 -0.04 0.00 0.70 0.00 0.00 55.95 58.05 1x5g s SER 85 Cb -0.11 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.73 1x5g s SER 85 CO -0.06 -0.20 0.10 -0.36 1.20 0.00 0.00 173.24 173.92 1x5g s PHE 86 N -1.93 -0.07 -0.17 3.44 0.08 -1.09 -2.57 117.98 115.68 1x5g s PHE 86 Ca 0.55 0.17 -0.08 0.00 0.12 0.00 0.00 56.93 57.68 1x5g s PHE 86 Cb -0.12 0.01 0.06 0.00 -0.57 0.00 0.00 43.02 42.40 1x5g s PHE 86 CO 0.17 -0.10 0.39 -0.98 -0.10 0.00 0.00 175.22 174.61 1x5g s ARG 87 N -0.26 0.36 -0.13 0.44 1.70 -1.19 0.64 118.95 120.52 1x5g s ARG 87 Ca -0.03 0.79 -0.06 0.00 -0.47 0.00 0.00 55.73 55.96 1x5g s ARG 87 Cb -0.02 0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1x5g s ARG 87 CO 0.00 -0.17 0.11 0.08 -1.08 0.00 0.00 175.30 174.24 1x5g s VAL 88 N 1.55 5.23 -0.07 4.99 1.01 -1.26 -1.68 120.40 130.17 1x5g s VAL 88 Ca -0.08 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1x5g s VAL 88 Cb -0.09 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1x5g s VAL 88 CO -0.12 0.59 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 1x5g s VAL 89 N -0.78 1.79 -0.10 2.92 1.01 -0.42 -2.26 120.40 122.56 1x5g s VAL 89 Ca 0.13 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1x5g s VAL 89 Cb -0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1x5g s VAL 89 CO 0.03 0.50 0.69 0.00 0.00 0.00 0.00 175.10 176.32 1x5g s ALA 90 N 0.12 3.40 -0.18 5.51 0.00 -1.26 -2.58 121.76 126.77 1x5g s ALA 90 Ca -0.09 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1x5g s ALA 90 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1x5g s ALA 90 CO 0.05 -0.23 -0.13 0.71 0.00 0.00 0.00 175.76 176.16 1x5g s TYR 91 N 1.12 2.84 0.32 0.00 1.51 -1.17 -1.71 117.35 120.24 1x5g s TYR 91 Ca 0.35 -1.18 0.09 0.00 -1.01 0.00 0.00 57.07 55.32 1x5g s TYR 91 Cb -0.17 -1.96 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 1x5g s TYR 91 CO 0.16 -0.59 0.01 -0.80 -1.11 0.00 0.00 175.55 173.22 1x5g s ASN 92 N 1.15 4.32 0.43 2.29 0.01 -1.03 0.44 114.94 122.55 1x5g s ASN 92 Ca 0.01 -0.86 0.31 0.00 -0.71 0.00 0.00 52.86 51.61 1x5g s ASN 92 Cb -0.14 -0.63 1.48 0.00 0.41 0.00 0.00 41.25 42.36 1x5g s ASN 92 CO -0.05 -0.16 1.57 2.29 -1.51 0.00 0.00 177.10 179.24 1x5g n LYS 93 N -0.95 -0.04 0.07 -0.60 2.85 -1.26 -1.17 118.16 117.07 1x5g n LYS 93 Ca -0.05 1.28 -0.03 0.00 -1.05 0.00 0.00 58.31 58.46 1x5g n LYS 93 Cb 0.61 -2.48 -0.02 0.00 -0.65 0.00 0.00 35.03 32.49 1x5g n LYS 93 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1x5g h HIS 94 N 0.00 -0.20 -1.31 5.58 -0.00 -1.94 -3.50 115.15 113.78 1x5g h HIS 94 Ca 0.88 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 61.34 1x5g h HIS 94 Cb 2.76 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 30.22 1x5g h HIS 94 CO -0.01 -0.12 0.24 0.41 -0.00 0.00 0.00 177.93 178.45 1x5g n GLY 95 N 0.48 0.40 3.73 2.45 0.00 -0.32 -5.14 105.19 106.78 1x5g n GLY 95 Ca -0.03 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 4.36 0.00 1.61 0.04 -1.26 -2.46 135.00 135.29 1x5g s PRO 96 Ca 0.08 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1x5g s PRO 96 Cb -0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1x5g s PRO 96 CO -0.01 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1x5g n GLY 97 N 2.92 0.75 3.13 0.56 0.00 -0.70 -4.95 105.19 106.91 1x5g n GLY 97 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.85 1.61 0.24 -1.25 -4.97 118.33 110.10 1x5g n VAL 98 Ca 0.00 -1.38 -0.29 0.00 -2.04 0.00 0.00 64.34 60.63 1x5g n VAL 98 Cb 0.00 -0.84 -0.16 0.00 -1.47 0.00 0.00 33.84 31.37 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 -4.13 3.37 0.89 -1.34 0.15 -1.26 -4.08 113.70 107.30 1x5g s SER 99 Ca 0.52 -0.98 -0.16 0.00 0.70 0.00 0.00 55.95 56.03 1x5g s SER 99 Cb -0.03 -0.92 -0.09 0.00 -1.71 0.00 0.00 66.02 63.27 1x5g s SER 99 CO 0.34 -0.26 -0.25 0.35 1.20 0.00 0.00 173.24 174.62 1x5g n THR 100 N 4.84 0.23 -2.21 6.45 -2.24 -0.96 -4.85 114.28 115.54 1x5g n THR 100 Ca -0.11 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.85 1x5g n THR 100 Cb 0.46 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.40 4.35 0.06 -0.78 0.04 -1.26 -4.67 135.00 130.34 1x5g s PRO 101 Ca 0.49 2.04 -0.34 0.00 0.04 0.00 0.00 61.00 63.23 1x5g s PRO 101 Cb -0.25 -3.25 -0.18 0.00 0.04 0.00 0.00 34.50 30.87 1x5g s PRO 101 CO 0.74 -0.38 0.85 -0.25 0.04 0.00 0.00 177.00 178.00 1x5g n ASP 102 N 3.69 -0.36 -3.91 6.66 9.92 -1.26 -4.81 116.55 126.49 1x5g n ASP 102 Ca 0.10 1.08 -0.28 0.00 -0.53 0.00 0.00 54.79 55.16 1x5g n ASP 102 Cb 0.43 -0.87 -0.12 0.00 -0.64 0.00 0.00 41.12 39.91 1x5g n ASP 102 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1x5g s VAL 103 N -0.28 2.89 0.32 2.53 1.01 0.21 -4.86 120.40 122.22 1x5g s VAL 103 Ca 0.78 -4.22 -0.28 0.00 0.00 0.00 0.00 61.98 58.26 1x5g s VAL 103 Cb -1.10 -2.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 1x5g s VAL 103 CO 0.53 -0.99 1.13 0.00 0.00 0.00 0.00 175.10 175.77 1x5g s ALA 104 N -1.38 3.35 -0.08 5.51 0.00 -1.26 -2.66 121.76 125.24 1x5g s ALA 104 Ca 0.24 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 1x5g s ALA 104 Cb -0.06 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1x5g s ALA 104 CO -0.15 -0.28 0.30 0.54 0.00 0.00 0.00 175.76 176.17 1x5g s VAL 105 N -1.25 0.02 -0.15 0.00 0.11 -0.69 -4.91 120.40 113.53 1x5g s VAL 105 Ca 0.48 -0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 59.21 1x5g s VAL 105 Cb -0.32 -0.49 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1x5g s VAL 105 CO 0.41 -0.10 0.34 -0.60 -3.33 0.00 0.00 175.10 171.82 1x5g s ARG 106 N -0.35 4.27 0.70 1.54 3.52 -1.26 -1.18 118.95 126.20 1x5g s ARG 106 Ca -0.05 0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.63 1x5g s ARG 106 Cb -0.03 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1x5g s ARG 106 CO 0.02 0.22 1.07 0.95 -0.81 0.00 0.00 175.30 176.75 1x5g s THR 107 N 0.49 3.84 0.31 4.11 -4.23 -1.18 -4.63 115.64 114.35 1x5g s THR 107 Ca 0.19 0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 61.01 1x5g s THR 107 Cb -0.13 -3.46 -0.10 0.00 1.34 0.00 0.00 72.50 70.15 1x5g s THR 107 CO 0.05 -0.78 1.35 -0.76 -0.54 0.00 0.00 174.62 173.94 1x5g s LEU 108 N -5.47 4.41 -0.14 4.79 1.43 -1.25 -3.64 118.68 118.81 1x5g s LEU 108 Ca 0.58 2.70 -0.24 0.00 -1.03 0.00 0.00 54.13 56.14 1x5g s LEU 108 Cb -0.13 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 1x5g s LEU 108 CO 0.54 -0.60 0.75 -0.94 0.23 0.00 0.00 176.35 176.33 1x5g s SER 109 N -0.25 6.92 -0.03 2.29 1.04 -1.26 -3.25 113.70 119.16 1x5g s SER 109 Ca 0.52 1.12 -0.02 0.00 0.48 0.00 0.00 55.95 58.04 1x5g s SER 109 Cb -0.41 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.24 1x5g s SER 109 CO 0.51 -0.28 2.45 -0.90 0.98 0.00 0.00 173.24 176.01 1x5g n ASP 110 N 4.71 5.42 -3.98 7.02 5.75 -1.26 -4.81 116.55 129.39 1x5g n ASP 110 Ca 0.01 -2.49 -0.14 0.00 -0.01 0.00 0.00 54.79 52.17 1x5g n ASP 110 Cb 0.50 -1.21 -0.09 0.00 -1.03 0.00 0.00 41.12 39.29 1x5g n ASP 110 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1x5g s SER 111 N 1.85 0.51 0.00 -1.12 1.04 -1.26 -5.05 113.70 109.67 1x5g s SER 111 Ca 0.21 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1x5g s SER 111 Cb 0.11 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1x5g s SER 111 CO -0.01 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1x5g n GLY 112 N -0.36 0.63 0.00 7.32 0.00 -1.26 -4.96 105.19 106.56 1x5g n GLY 112 Ca 0.03 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1x5g n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5g n PRO 113 N -0.09 0.38 -2.80 1.61 -0.04 -1.26 -3.23 135.00 129.57 1x5g n PRO 113 Ca 0.00 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 1x5g n PRO 113 Cb 0.03 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.97 1x5g n PRO 113 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5g s SER 114 N -2.23 6.62 -1.53 3.54 1.04 -1.26 -4.48 113.70 115.41 1x5g s SER 114 Ca 0.20 -1.92 -0.16 0.00 0.48 0.00 0.00 55.95 54.55 1x5g s SER 114 Cb 0.10 -2.46 0.16 0.00 0.10 0.00 0.00 66.02 63.92 1x5g s SER 114 CO 0.20 -1.19 0.39 -1.20 0.98 0.00 0.00 173.24 172.42 1x5g n SER 115 N 7.30 -1.00 0.00 7.02 7.64 -1.26 -5.25 113.62 128.06 1x5g n SER 115 Ca 0.28 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1x5g n SER 115 Cb 0.49 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64