#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 -0.09 -0.17 1.61 0.01 -1.26 -5.06 113.70 108.75 1x5g s SER 2 Ca 0.00 0.76 -0.17 0.00 1.31 0.00 0.00 55.95 57.85 1x5g s SER 2 Cb 0.00 0.87 -0.14 0.00 0.21 0.00 0.00 66.02 66.96 1x5g s SER 2 CO 0.00 -0.22 0.18 -1.28 0.41 0.00 0.00 173.24 172.33 1x5g h SER 3 N 7.87 0.00 -1.84 2.44 0.87 -2.11 -3.51 113.55 117.28 1x5g h SER 3 Ca -0.23 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 1x5g h SER 3 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1x5g h SER 3 CO 0.20 1.12 0.00 0.61 -0.53 0.00 0.00 176.83 178.23 1x5g n GLY 4 N 1.54 -1.06 3.58 5.77 0.00 -1.26 -4.98 105.19 108.78 1x5g n GLY 4 Ca -0.19 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1x5g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5g n SER 5 N -0.14 0.87 -2.05 1.61 7.64 -1.26 -4.83 113.62 115.46 1x5g n SER 5 Ca 0.00 1.02 -0.15 0.00 1.01 0.00 0.00 58.87 60.74 1x5g n SER 5 Cb 0.00 -1.31 -0.08 0.00 -1.01 0.00 0.00 64.21 61.82 1x5g n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x5g n SER 6 N 0.65 5.83 0.00 6.43 7.64 -1.26 -4.96 113.62 127.94 1x5g n SER 6 Ca 0.10 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1x5g n SER 6 Cb 0.39 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1x5g n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5g n GLY 7 N 1.51 -0.22 3.21 0.23 0.00 -1.26 -4.91 105.19 103.75 1x5g n GLY 7 Ca 0.36 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 45.29 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 0.16 -0.06 1.61 1.70 -1.26 -5.17 118.95 115.93 1x5g s ARG 8 Ca 0.00 0.33 0.02 0.00 -0.47 0.00 0.00 55.73 55.61 1x5g s ARG 8 Cb 0.00 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 1x5g s ARG 8 CO 0.00 -0.11 -0.10 0.14 -1.08 0.00 0.00 175.30 174.15 1x5g s VAL 9 N 2.62 3.47 -0.93 4.99 -7.23 -1.26 -5.05 120.40 117.00 1x5g s VAL 9 Ca -0.02 -0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1x5g s VAL 9 Cb -0.07 -2.40 0.30 0.00 0.56 0.00 0.00 36.38 34.77 1x5g s VAL 9 CO -0.13 0.59 1.32 -1.84 -0.31 0.00 0.00 175.10 174.73 1x5g n GLU 10 N 2.25 4.06 -3.55 4.82 0.00 -1.26 -4.95 120.64 122.01 1x5g n GLU 10 Ca -0.18 -4.62 -0.17 0.00 0.00 0.00 0.00 57.16 52.19 1x5g n GLU 10 Cb 0.53 -2.43 -0.13 0.00 0.00 0.00 0.00 31.44 29.41 1x5g n GLU 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1x5g s THR 11 N -3.05 -0.34 -0.06 3.84 -4.23 -1.26 -5.14 115.64 105.40 1x5g s THR 11 Ca 0.35 0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.86 1x5g s THR 11 Cb 0.11 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.40 1x5g s THR 11 CO 0.03 -0.08 0.14 -1.10 -0.54 0.00 0.00 174.62 173.08 1x5g s GLN 12 N 2.35 0.16 0.81 3.99 -1.52 -1.26 -5.17 119.66 119.02 1x5g s GLN 12 Ca 0.05 0.21 -0.14 0.00 -1.95 0.00 0.00 55.36 53.54 1x5g s GLN 12 Cb -0.14 0.06 0.20 0.00 -0.22 0.00 0.00 33.01 32.91 1x5g s GLN 12 CO -0.10 -0.03 0.72 -0.35 -0.25 0.00 0.00 175.29 175.28 1x5g n PRO 13 N 3.10 -2.43 -3.89 2.91 -0.04 -1.26 -5.03 135.00 128.35 1x5g n PRO 13 Ca -0.13 -1.15 -0.36 0.00 -0.04 0.00 0.00 63.50 61.82 1x5g n PRO 13 Cb 0.58 -1.08 -0.12 0.00 -0.04 0.00 0.00 33.50 32.84 1x5g n PRO 13 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1x5g s GLU 14 N -4.64 3.72 -0.01 0.54 2.02 -1.26 -5.09 118.70 113.99 1x5g s GLU 14 Ca 0.47 -0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1x5g s GLU 14 Cb -0.05 -3.24 0.01 0.00 0.10 0.00 0.00 34.13 30.95 1x5g s GLU 14 CO 0.36 -0.04 -0.01 0.08 0.02 0.00 0.00 175.26 175.67 1x5g s VAL 15 N 1.20 0.11 -0.44 2.63 1.01 -1.26 -5.09 120.40 118.56 1x5g s VAL 15 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 1x5g s VAL 15 Cb -0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1x5g s VAL 15 CO 0.03 0.05 2.14 -1.10 0.00 0.00 0.00 175.10 176.22 1x5g s GLN 16 N 0.19 2.64 0.04 2.72 -0.21 -1.26 -4.93 119.66 118.85 1x5g s GLN 16 Ca -0.02 1.35 -0.05 0.00 0.02 0.00 0.00 55.36 56.67 1x5g s GLN 16 Cb -0.03 -4.43 -0.02 0.00 1.00 0.00 0.00 33.01 29.53 1x5g s GLN 16 CO -0.01 -2.68 0.07 -0.51 -2.12 0.00 0.00 175.29 170.05 1x5g s LEU 17 N 9.80 1.92 0.50 2.90 1.43 -1.26 -4.61 118.68 129.36 1x5g s LEU 17 Ca 0.88 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 53.16 1x5g s LEU 17 Cb -0.20 0.52 -0.07 0.00 0.03 0.00 0.00 46.19 46.48 1x5g s LEU 17 CO 0.28 -0.52 1.15 -2.16 0.23 0.00 0.00 176.35 175.33 1x5g s PRO 18 N -2.78 3.57 0.90 1.29 0.04 -1.26 -4.37 135.00 132.39 1x5g s PRO 18 Ca -0.04 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 1x5g s PRO 18 Cb -0.00 -2.22 0.15 0.00 0.04 0.00 0.00 34.50 32.46 1x5g s PRO 18 CO -0.05 -0.69 1.24 0.20 0.04 0.00 0.00 177.00 177.74 1x5g s GLY 19 N -1.55 1.68 0.09 0.56 0.00 -0.93 -3.91 107.32 103.26 1x5g s GLY 19 Ca 0.68 -0.91 -0.31 0.00 0.00 0.00 0.00 44.72 44.18 1x5g s GLY 19 CO 0.31 -0.27 1.38 2.56 0.00 0.00 0.00 173.10 177.08 1x5g s PRO 20 N -5.70 4.32 -0.22 2.90 0.04 -1.26 -4.74 135.00 130.34 1x5g s PRO 20 Ca 0.68 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.44 1x5g s PRO 20 Cb -0.08 -3.33 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 1x5g s PRO 20 CO 0.51 -0.46 2.16 0.00 0.04 0.00 0.00 177.00 179.25 1x5g n ALA 21 N 4.27 1.48 -1.05 8.56 0.00 -1.26 -4.60 120.51 127.90 1x5g n ALA 21 Ca 0.12 -0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 1x5g n ALA 21 Cb 0.43 -2.75 0.24 0.00 0.00 0.00 0.00 19.45 17.36 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 8.27 -3.06 -4.30 0.00 -0.04 -1.21 -4.12 135.00 130.55 1x5g n PRO 22 Ca 0.31 -1.66 -0.31 0.00 -0.04 0.00 0.00 63.50 61.80 1x5g n PRO 22 Cb 0.37 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 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 -4.79 0.64 -4.47 3.54 5.03 -1.26 -0.98 115.26 112.97 1x5g n ASN 23 Ca 0.14 -1.25 -0.43 0.00 0.87 0.00 0.00 54.58 53.92 1x5g n ASN 23 Cb 0.56 -1.74 -0.04 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 -7.34 4.19 0.32 3.41 2.96 -1.26 -3.63 118.68 117.33 1x5g s LEU 24 Ca 0.06 -0.96 0.08 0.00 -0.22 0.00 0.00 54.13 53.09 1x5g s LEU 24 Cb -0.03 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1x5g s LEU 24 CO 0.99 -1.50 0.14 -0.13 -1.32 0.00 0.00 176.35 174.54 1x5g s ARG 25 N 4.31 2.45 -0.24 1.98 1.81 0.10 -5.00 118.95 124.35 1x5g s ARG 25 Ca 0.25 -1.46 -0.12 0.00 -1.72 0.00 0.00 55.73 52.68 1x5g s ARG 25 Cb -0.15 -2.24 0.08 0.00 -0.45 0.00 0.00 34.95 32.20 1x5g s ARG 25 CO 0.10 0.17 0.58 0.00 -0.68 0.00 0.00 175.30 175.47 1x5g s ALA 26 N -2.37 -1.59 -0.04 2.13 0.00 -1.26 -1.95 121.76 116.68 1x5g s ALA 26 Ca 0.37 2.06 -0.04 0.00 0.00 0.00 0.00 51.96 54.35 1x5g s ALA 26 Cb -0.04 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1x5g s ALA 26 CO 0.23 -0.47 0.12 1.52 0.00 0.00 0.00 175.76 177.15 1x5g s TYR 27 N 1.87 -0.13 -0.54 0.00 1.13 -0.45 -5.03 117.35 114.20 1x5g s TYR 27 Ca -0.08 0.32 -0.28 0.00 -1.41 0.00 0.00 57.07 55.61 1x5g s TYR 27 Cb -0.08 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1x5g s TYR 27 CO -0.17 -0.07 1.31 0.00 -2.51 0.00 0.00 175.55 174.11 1x5g s ALA 28 N 0.15 2.94 0.19 9.51 0.00 -1.26 -1.27 121.76 132.01 1x5g s ALA 28 Ca -0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1x5g s ALA 28 Cb -0.02 -4.04 0.10 0.00 0.00 0.00 0.00 23.12 19.17 1x5g s ALA 28 CO -0.00 -2.70 1.53 0.00 0.00 0.00 0.00 175.76 174.59 1x5g h ALA 29 N 10.31 0.72 -2.49 0.00 0.00 -1.89 -3.46 119.26 122.45 1x5g h ALA 29 Ca -0.26 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.08 1x5g h ALA 29 Cb 1.08 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 1x5g h ALA 29 CO 1.16 0.67 -0.45 -1.12 0.00 0.00 0.00 179.25 179.51 1x5g s SER 30 N -6.87 0.19 0.00 0.00 0.01 -1.19 -5.01 113.70 100.83 1x5g s SER 30 Ca -0.09 -0.86 0.13 0.00 1.31 0.00 0.00 55.95 56.45 1x5g s SER 30 Cb 0.12 0.34 0.76 0.00 0.21 0.00 0.00 66.02 67.45 1x5g s SER 30 CO 0.85 -0.76 1.19 -0.81 0.41 0.00 0.00 173.24 174.12 1x5g n PRO 31 N -0.08 0.49 0.00 12.44 -0.04 -1.26 -2.12 135.00 144.43 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 0.63 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.91 0.00 -4.14 0.52 -2.24 -1.26 -3.58 114.28 102.67 1x5g n THR 32 Ca 0.10 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1x5g n THR 32 Cb 0.04 1.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.07 0.11 -0.11 3.42 1.04 -0.90 -1.31 113.70 115.88 1x5g s SER 33 Ca 0.00 -1.26 -0.07 0.00 0.48 0.00 0.00 55.95 55.09 1x5g s SER 33 Cb 0.00 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1x5g s SER 33 CO 0.00 -0.93 0.26 -0.63 0.98 0.00 0.00 173.24 172.92 1x5g s ILE 34 N -4.10 -0.02 -0.16 -1.02 1.01 -0.19 -3.14 121.20 113.58 1x5g s ILE 34 Ca 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1x5g s ILE 34 Cb 0.05 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1x5g s ILE 34 CO 0.11 0.03 0.03 -0.89 0.00 0.00 0.00 174.94 174.22 1x5g s THR 35 N 0.74 4.50 -0.08 2.92 2.01 -0.40 -1.35 115.64 123.98 1x5g s THR 35 Ca -0.05 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1x5g s THR 35 Cb -0.06 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.47 1x5g s THR 35 CO -0.05 0.50 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.53 1x5g s VAL 36 N 0.09 1.48 -0.06 3.82 1.01 -0.80 -1.33 120.40 124.61 1x5g s VAL 36 Ca 0.03 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1x5g s VAL 36 Cb -0.13 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.94 1x5g s VAL 36 CO 0.01 0.43 -0.20 0.42 0.00 0.00 0.00 175.10 175.76 1x5g s THR 37 N 0.52 1.70 0.15 3.92 -4.23 -0.82 -1.91 115.64 114.97 1x5g s THR 37 Ca -0.16 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1x5g s THR 37 Cb -0.16 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 1x5g s THR 37 CO 0.06 0.48 0.07 -1.66 -0.54 0.00 0.00 174.62 173.03 1x5g s TRP 38 N 0.11 0.97 0.35 3.99 -2.14 -1.05 0.01 118.94 121.18 1x5g s TRP 38 Ca -0.08 -1.25 0.09 0.00 2.66 0.00 0.00 56.10 57.51 1x5g s TRP 38 Cb -0.14 -0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 29.65 1x5g s TRP 38 CO 0.04 -0.52 0.00 -1.21 -2.66 0.00 0.00 176.95 172.60 1x5g s GLU 39 N -4.07 2.04 0.01 3.25 0.41 -0.15 -4.74 118.70 115.44 1x5g s GLU 39 Ca 0.28 -1.80 -0.24 0.00 -0.41 0.00 0.00 54.97 52.80 1x5g s GLU 39 Cb 0.07 -1.88 -0.05 0.00 -1.78 0.00 0.00 34.13 30.49 1x5g s GLU 39 CO 0.04 0.12 0.73 0.99 -0.49 0.00 0.00 175.26 176.65 1x5g s THR 40 N -2.55 4.85 -0.22 3.63 2.01 -1.26 -3.31 115.64 118.79 1x5g s THR 40 Ca 0.35 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 1x5g s THR 40 Cb 0.01 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1x5g s THR 40 CO 0.19 0.34 1.61 -2.16 -0.69 0.00 0.00 174.62 173.90 1x5g s PRO 41 N 0.19 3.80 0.32 4.92 0.04 -1.26 -4.68 135.00 138.32 1x5g s PRO 41 Ca 0.38 1.65 0.05 0.00 0.04 0.00 0.00 61.00 63.12 1x5g s PRO 41 Cb -0.19 -4.03 0.70 0.00 0.04 0.00 0.00 34.50 31.01 1x5g s PRO 41 CO 0.21 -1.29 1.84 -0.39 0.04 0.00 0.00 177.00 177.41 1x5g h VAL 42 N 6.14 0.84 -3.57 -0.36 -1.51 -1.95 -3.37 116.25 112.47 1x5g h VAL 42 Ca -0.33 -0.28 -0.63 0.00 -1.23 0.00 0.00 66.70 64.22 1x5g h VAL 42 Cb 1.15 -0.06 -0.13 0.00 -2.13 0.00 0.00 31.29 30.12 1x5g h VAL 42 CO 1.00 0.15 0.19 -0.94 -1.23 0.00 0.00 177.57 176.75 1x5g s SER 43 N -5.67 6.42 -0.01 4.19 1.04 -1.26 -5.01 113.70 113.41 1x5g s SER 43 Ca -0.11 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 1x5g s SER 43 Cb 0.23 -2.34 0.10 0.00 0.10 0.00 0.00 66.02 64.11 1x5g s SER 43 CO 0.80 -0.68 0.98 -0.83 0.98 0.00 0.00 173.24 174.49 1x5g s GLY 44 N 1.87 -0.39 -0.28 7.32 0.00 -1.26 -2.19 107.32 112.40 1x5g s GLY 44 Ca 0.26 0.93 -0.10 0.00 0.00 0.00 0.00 44.72 45.81 1x5g s GLY 44 CO 0.17 0.30 0.17 -1.31 0.00 0.00 0.00 173.10 172.42 1x5g s ASN 45 N -2.54 5.89 0.54 1.64 -0.87 -1.26 -4.98 114.94 113.35 1x5g s ASN 45 Ca 0.08 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.33 1x5g s ASN 45 Cb -0.01 -2.09 0.00 0.00 -0.02 0.00 0.00 41.25 39.13 1x5g s ASN 45 CO -0.06 -0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.03 1x5g n GLY 46 N 5.04 0.06 3.84 0.66 0.00 -1.26 -4.82 105.19 108.71 1x5g n GLY 46 Ca -0.14 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 1x5g n GLY 46 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5g s GLU 47 N 0.00 3.10 -0.39 1.61 1.03 -1.26 -5.06 118.70 117.73 1x5g s GLU 47 Ca 0.00 -0.66 -0.29 0.00 0.03 0.00 0.00 54.97 54.05 1x5g s GLU 47 Cb 0.00 -2.82 0.02 0.00 -0.80 0.00 0.00 34.13 30.53 1x5g s GLU 47 CO 0.00 0.55 1.19 0.42 -1.33 0.00 0.00 175.26 176.09 1x5g s ILE 48 N -1.56 4.23 0.07 1.83 -1.09 -1.26 -4.80 121.20 118.62 1x5g s ILE 48 Ca 0.32 1.33 -0.28 0.00 -2.23 0.00 0.00 60.65 59.79 1x5g s ILE 48 Cb -0.12 -4.41 -0.17 0.00 -1.58 0.00 0.00 42.46 36.18 1x5g s ILE 48 CO 0.25 -0.72 1.65 1.56 -1.23 0.00 0.00 174.94 176.45 1x5g h GLN 49 N 9.14 -0.49 -3.20 2.79 4.20 -1.93 -3.47 115.11 122.15 1x5g h GLN 49 Ca -0.24 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1x5g h GLN 49 Cb 1.07 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 1x5g h GLN 49 CO 1.08 -0.31 0.10 1.21 -0.67 0.00 0.00 178.83 180.24 1x5g s ASN 50 N -4.76 -0.30 -0.17 1.46 2.47 -1.22 -5.08 114.94 107.34 1x5g s ASN 50 Ca -0.16 -0.47 -0.02 0.00 0.42 0.00 0.00 52.86 52.63 1x5g s ASN 50 Cb 0.04 0.62 -0.01 0.00 -1.45 0.00 0.00 41.25 40.45 1x5g s ASN 50 CO 0.63 -1.12 -0.09 -0.31 -3.72 0.00 0.00 177.10 172.49 1x5g s TYR 51 N -3.88 2.89 -0.25 0.43 2.02 -1.16 -3.12 117.35 114.28 1x5g s TYR 51 Ca 0.09 -0.77 -0.12 0.00 -0.37 0.00 0.00 57.07 55.90 1x5g s TYR 51 Cb -0.02 -1.96 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 1x5g s TYR 51 CO -0.01 -0.35 0.21 0.21 -1.57 0.00 0.00 175.55 174.04 1x5g s LYS 52 N 0.83 4.05 -0.27 -0.62 2.47 -0.98 -2.34 119.74 122.88 1x5g s LYS 52 Ca -0.03 -0.20 -0.02 0.00 -1.56 0.00 0.00 55.97 54.16 1x5g s LYS 52 Cb -0.15 -3.58 0.03 0.00 -1.46 0.00 0.00 37.83 32.67 1x5g s LYS 52 CO 0.01 -0.04 -0.03 -1.17 0.16 0.00 0.00 175.35 174.27 1x5g s LEU 53 N 1.36 3.46 0.39 5.43 2.96 -1.14 -2.04 118.68 129.10 1x5g s LEU 53 Ca 0.09 -0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 53.00 1x5g s LEU 53 Cb -0.14 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1x5g s LEU 53 CO 0.07 -0.17 0.64 -0.31 -1.32 0.00 0.00 176.35 175.26 1x5g s TYR 54 N 1.32 3.52 -0.28 5.38 1.51 -0.73 -2.67 117.35 125.40 1x5g s TYR 54 Ca -0.01 0.58 -0.22 0.00 -1.01 0.00 0.00 57.07 56.40 1x5g s TYR 54 Cb -0.18 -2.09 0.09 0.00 -0.11 0.00 0.00 41.96 39.67 1x5g s TYR 54 CO -0.03 -0.03 0.78 1.52 -1.11 0.00 0.00 175.55 176.68 1x5g s TYR 55 N -2.44 -0.79 0.17 2.71 1.13 -1.24 -3.44 117.35 113.44 1x5g s TYR 55 Ca 0.44 1.81 -0.19 0.00 -1.41 0.00 0.00 57.07 57.72 1x5g s TYR 55 Cb -0.10 0.38 0.04 0.00 -1.10 0.00 0.00 41.96 41.18 1x5g s TYR 55 CO 0.38 -0.39 0.51 0.00 -2.51 0.00 0.00 175.55 173.55 1x5g s MET 56 N 0.71 1.27 -0.42 -3.49 0.23 -1.06 -2.77 119.30 113.77 1x5g s MET 56 Ca -0.02 -0.71 -0.19 0.00 -1.03 0.00 0.00 55.69 53.73 1x5g s MET 56 Cb -0.05 0.53 0.02 0.00 -1.53 0.00 0.00 34.83 33.80 1x5g s MET 56 CO -0.06 -0.53 0.53 -2.00 -2.03 0.00 0.00 175.02 170.93 1x5g s GLU 57 N -3.82 3.22 -0.52 3.16 2.12 -1.26 -0.24 118.70 121.36 1x5g s GLU 57 Ca 0.05 -0.54 -0.26 0.00 0.36 0.00 0.00 54.97 54.59 1x5g s GLU 57 Cb -0.00 -3.95 -0.14 0.00 0.26 0.00 0.00 34.13 30.30 1x5g s GLU 57 CO -0.08 -0.90 1.68 1.17 -0.54 0.00 0.00 175.26 176.59 1x5g n LYS 58 N 5.90 0.00 0.00 4.30 3.00 -1.02 -0.03 118.16 130.32 1x5g n LYS 58 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1x5g n LYS 58 Cb 0.48 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 34.47 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 4.84 3.49 0.38 3.14 0.00 -1.26 -4.93 105.19 110.85 1x5g n GLY 59 Ca 0.42 -0.90 0.20 0.00 0.00 0.00 0.00 46.02 45.74 1x5g n GLY 59 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x5g h THR 60 N 0.00 0.70 -1.60 2.61 2.02 -0.85 -3.45 112.91 112.33 1x5g h THR 60 Ca 0.00 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 1x5g h THR 60 Cb 0.00 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.08 1x5g h THR 60 CO 0.00 0.00 -0.37 0.47 0.37 0.00 0.00 175.52 175.99 1x5g n ASP 61 N -4.29 -4.99 -3.60 4.18 8.00 -1.26 -4.97 116.55 109.62 1x5g n ASP 61 Ca 0.09 0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.69 1x5g n ASP 61 Cb 0.58 -4.03 -0.10 0.00 -0.02 0.00 0.00 41.12 37.55 1x5g n ASP 61 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1x5g s LYS 62 N -4.14 0.30 0.21 -1.24 -0.14 -1.26 -5.16 119.74 108.31 1x5g s LYS 62 Ca 0.00 0.89 0.05 0.00 -1.36 0.00 0.00 55.97 55.55 1x5g s LYS 62 Cb 0.00 0.11 -0.04 0.00 -1.68 0.00 0.00 37.83 36.23 1x5g s LYS 62 CO 0.00 -0.33 0.22 -1.83 -0.76 0.00 0.00 175.35 172.65 1x5g s GLU 63 N 2.57 3.10 0.26 1.68 1.03 -1.26 -4.65 118.70 121.42 1x5g s GLU 63 Ca 0.02 -0.87 0.01 0.00 0.03 0.00 0.00 54.97 54.16 1x5g s GLU 63 Cb -0.13 -2.72 0.01 0.00 -0.80 0.00 0.00 34.13 30.50 1x5g s GLU 63 CO -0.13 0.45 0.10 1.04 -1.33 0.00 0.00 175.26 175.40 1x5g n GLN 64 N -0.87 1.24 -3.80 -4.83 6.02 -1.12 -4.95 117.38 109.06 1x5g n GLN 64 Ca -0.08 -1.75 -0.15 0.00 -0.01 0.00 0.00 57.00 55.00 1x5g n GLN 64 Cb 0.56 0.33 -0.16 0.00 1.02 0.00 0.00 30.24 31.99 1x5g n GLN 64 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1x5g s ASP 65 N -2.48 0.14 -0.02 1.08 1.47 -1.26 -3.67 116.67 111.93 1x5g s ASP 65 Ca 0.08 0.03 0.04 0.00 1.18 0.00 0.00 52.55 53.88 1x5g s ASP 65 Cb -0.01 -0.10 -0.01 0.00 -0.34 0.00 0.00 42.92 42.46 1x5g s ASP 65 CO 0.05 -0.12 -0.15 0.68 0.68 0.00 0.00 175.17 176.31 1x5g s VAL 66 N 1.06 1.20 -0.06 2.11 -7.23 -1.09 -5.01 120.40 111.38 1x5g s VAL 66 Ca -0.09 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.14 1x5g s VAL 66 Cb -0.13 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 1x5g s VAL 66 CO -0.03 0.34 1.30 -0.62 -0.31 0.00 0.00 175.10 175.79 1x5g s ASP 67 N -0.24 6.95 -0.09 4.85 -1.08 -1.26 -2.87 116.67 122.93 1x5g s ASP 67 Ca 0.03 1.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.98 1x5g s ASP 67 Cb -0.07 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.86 1x5g s ASP 67 CO -0.00 -0.68 -0.08 -0.69 0.52 0.00 0.00 175.17 174.24 1x5g s VAL 68 N 2.60 0.93 -0.42 1.11 1.01 -0.99 -5.00 120.40 119.65 1x5g s VAL 68 Ca 0.59 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1x5g s VAL 68 Cb -0.27 -0.93 0.48 0.00 0.00 0.00 0.00 36.38 35.66 1x5g s VAL 68 CO 0.22 0.34 1.56 -1.20 0.00 0.00 0.00 175.10 176.02 1x5g n SER 69 N 4.55 5.13 -3.71 3.32 7.64 -1.26 -2.99 113.62 126.29 1x5g n SER 69 Ca -0.16 -3.77 -0.14 0.00 1.01 0.00 0.00 58.87 55.81 1x5g n SER 69 Cb 0.51 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.67 -0.35 0.47 6.43 0.01 -1.26 -5.03 113.70 111.30 1x5g s SER 70 Ca 0.54 0.46 0.18 0.00 1.31 0.00 0.00 55.95 58.44 1x5g s SER 70 Cb 0.44 0.55 1.18 0.00 0.21 0.00 0.00 66.02 68.40 1x5g s SER 70 CO 0.02 -0.37 1.99 0.45 0.41 0.00 0.00 173.24 175.73 1x5g h HIS 71 N 4.28 0.26 -3.89 2.43 3.86 -1.93 -3.41 115.15 116.75 1x5g h HIS 71 Ca -0.28 0.01 -0.69 0.00 -1.16 0.00 0.00 60.37 58.25 1x5g h HIS 71 Cb 1.17 -0.08 -0.22 0.00 1.06 0.00 0.00 27.41 29.34 1x5g h HIS 71 CO 0.46 0.12 -0.87 -1.54 0.86 0.00 0.00 177.93 176.96 1x5g s SER 72 N -6.25 3.30 0.05 2.45 1.04 -1.26 -2.52 113.70 110.51 1x5g s SER 72 Ca -0.07 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 1x5g s SER 72 Cb 0.20 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1x5g s SER 72 CO 0.74 0.18 0.03 -0.47 0.98 0.00 0.00 173.24 174.70 1x5g s TYR 73 N -1.08 0.36 -0.18 5.02 5.04 -0.80 -4.98 117.35 120.73 1x5g s TYR 73 Ca 0.14 -0.80 -0.00 0.00 -2.44 0.00 0.00 57.07 53.96 1x5g s TYR 73 Cb -0.10 -0.26 0.05 0.00 0.35 0.00 0.00 41.96 42.00 1x5g s TYR 73 CO 0.06 -0.38 -0.05 0.99 -1.34 0.00 0.00 175.55 174.84 1x5g s THR 74 N -3.30 1.14 -0.24 4.34 2.01 -1.26 -1.90 115.64 116.43 1x5g s THR 74 Ca 0.01 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.12 1x5g s THR 74 Cb 0.03 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1x5g s THR 74 CO -0.08 0.06 0.41 -0.63 -0.69 0.00 0.00 174.62 173.70 1x5g s ILE 75 N 1.61 5.16 0.23 1.82 1.01 -0.46 -4.93 121.20 125.64 1x5g s ILE 75 Ca -0.01 0.70 0.09 0.00 0.00 0.00 0.00 60.65 61.43 1x5g s ILE 75 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1x5g s ILE 75 CO -0.07 0.19 -0.03 0.20 0.00 0.00 0.00 174.94 175.22 1x5g s ASN 76 N 1.35 4.50 0.00 3.58 -0.87 -1.26 -1.03 114.94 121.21 1x5g s ASN 76 Ca 0.18 -0.58 0.00 0.00 -1.57 0.00 0.00 52.86 50.89 1x5g s ASN 76 Cb -0.15 -0.84 0.00 0.00 -0.02 0.00 0.00 41.25 40.24 1x5g s ASN 76 CO 0.09 0.04 0.00 0.61 -2.57 0.00 0.00 177.10 175.27 1x5g n GLY 77 N -0.50 0.74 3.40 0.66 0.00 -0.66 -4.98 105.19 103.85 1x5g n GLY 77 Ca -0.08 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.46 2.16 0.69 0.99 1.43 -0.43 -5.04 118.68 117.03 1x5g s LEU 78 Ca 0.00 -1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 51.69 1x5g s LEU 78 Cb 0.00 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.91 1x5g s LEU 78 CO 0.00 -0.57 1.05 -0.54 0.23 0.00 0.00 176.35 176.52 1x5g s LYS 79 N -3.88 2.61 0.11 1.70 1.02 -1.26 -4.52 119.74 115.52 1x5g s LYS 79 Ca 0.34 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.41 1x5g s LYS 79 Cb 0.07 -2.10 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1x5g s LYS 79 CO 0.13 -1.08 0.42 0.15 -0.92 0.00 0.00 175.35 174.05 1x5g s LYS 80 N -5.29 3.74 -1.45 1.68 3.01 -1.23 -4.29 119.74 115.91 1x5g s LYS 80 Ca 0.58 0.14 -0.08 0.00 -1.01 0.00 0.00 55.97 55.60 1x5g s LYS 80 Cb -0.11 -2.92 0.05 0.00 -1.01 0.00 0.00 37.83 33.85 1x5g s LYS 80 CO 0.48 0.51 0.82 0.98 0.51 0.00 0.00 175.35 178.65 1x5g n TYR 81 N 0.58 -2.07 -4.59 3.18 9.36 -1.16 -4.96 117.16 117.49 1x5g n TYR 81 Ca -0.06 0.86 -0.23 0.00 3.32 0.00 0.00 57.90 61.80 1x5g n TYR 81 Cb 0.52 -4.05 -0.16 0.00 -0.63 0.00 0.00 39.34 35.03 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 -3.50 1.08 0.37 2.97 2.01 -1.26 -4.87 115.64 112.45 1x5g s THR 82 Ca 0.37 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 1x5g s THR 82 Cb -0.19 -0.95 -0.09 0.00 0.01 0.00 0.00 72.50 71.28 1x5g s THR 82 CO 0.84 0.32 1.02 -0.70 -0.69 0.00 0.00 174.62 175.41 1x5g s GLU 83 N 0.15 4.30 -0.04 4.92 2.12 -1.26 -2.30 118.70 126.61 1x5g s GLU 83 Ca -0.04 1.46 -0.02 0.00 0.36 0.00 0.00 54.97 56.74 1x5g s GLU 83 Cb -0.10 -2.63 0.03 0.00 0.26 0.00 0.00 34.13 31.69 1x5g s GLU 83 CO 0.01 -0.01 0.08 0.71 -0.54 0.00 0.00 175.26 175.52 1x5g s TYR 84 N -1.65 -0.07 0.31 5.30 2.02 0.17 -2.43 117.35 121.02 1x5g s TYR 84 Ca 0.55 0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.41 1x5g s TYR 84 Cb -0.21 -0.11 -0.07 0.00 -0.40 0.00 0.00 41.96 41.17 1x5g s TYR 84 CO 0.27 -0.10 0.67 0.45 -1.57 0.00 0.00 175.55 175.26 1x5g s SER 85 N 0.83 6.63 -0.10 2.29 0.15 0.67 -0.55 113.70 123.61 1x5g s SER 85 Ca -0.07 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.56 1x5g s SER 85 Cb -0.09 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1x5g s SER 85 CO -0.03 -0.21 0.27 -0.36 1.20 0.00 0.00 173.24 174.10 1x5g s PHE 86 N -2.04 -0.29 -0.15 3.44 0.08 -1.13 -2.55 117.98 115.33 1x5g s PHE 86 Ca 0.50 0.71 -0.13 0.00 0.12 0.00 0.00 56.93 58.13 1x5g s PHE 86 Cb -0.11 0.10 0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1x5g s PHE 86 CO 0.23 -0.15 0.40 -0.98 -0.10 0.00 0.00 175.22 174.62 1x5g s ARG 87 N 0.11 0.45 -0.08 0.44 1.70 -1.22 0.50 118.95 120.85 1x5g s ARG 87 Ca -0.00 0.58 -0.01 0.00 -0.47 0.00 0.00 55.73 55.83 1x5g s ARG 87 Cb -0.02 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 1x5g s ARG 87 CO 0.00 -0.07 -0.02 0.08 -1.08 0.00 0.00 175.30 174.21 1x5g s VAL 88 N 0.39 4.10 0.01 4.99 1.01 -1.26 -1.78 120.40 127.86 1x5g s VAL 88 Ca -0.01 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1x5g s VAL 88 Cb -0.04 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1x5g s VAL 88 CO -0.01 0.60 -0.07 -0.69 0.00 0.00 0.00 175.10 174.93 1x5g s VAL 89 N -0.83 0.50 -0.24 2.92 1.01 -0.87 -2.29 120.40 120.59 1x5g s VAL 89 Ca 0.13 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1x5g s VAL 89 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1x5g s VAL 89 CO 0.02 -0.06 0.32 0.00 0.00 0.00 0.00 175.10 175.38 1x5g s ALA 90 N -0.60 3.57 -0.32 5.51 0.00 -1.26 -2.32 121.76 126.34 1x5g s ALA 90 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 1x5g s ALA 90 Cb -0.05 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1x5g s ALA 90 CO 0.00 -0.44 0.09 0.71 0.00 0.00 0.00 175.76 176.13 1x5g s TYR 91 N 1.59 3.20 0.25 0.00 1.51 -1.18 -2.55 117.35 120.16 1x5g s TYR 91 Ca 0.14 -1.18 0.09 0.00 -1.01 0.00 0.00 57.07 55.11 1x5g s TYR 91 Cb -0.15 -2.27 -0.05 0.00 -0.11 0.00 0.00 41.96 39.38 1x5g s TYR 91 CO 0.08 -0.65 -0.13 0.54 -1.11 0.00 0.00 175.55 174.28 1x5g s ASN 92 N 1.46 2.95 0.29 2.29 4.22 -1.23 -2.97 114.94 121.94 1x5g s ASN 92 Ca 0.01 -1.08 0.13 0.00 -2.14 0.00 0.00 52.86 49.78 1x5g s ASN 92 Cb -0.18 -0.20 0.98 0.00 1.28 0.00 0.00 41.25 43.13 1x5g s ASN 92 CO 0.03 -0.16 1.26 2.29 -2.04 0.00 0.00 177.10 178.48 1x5g n LYS 93 N -0.52 -0.05 0.12 3.55 2.85 -1.26 -0.64 118.16 122.21 1x5g n LYS 93 Ca -0.06 1.13 -0.05 0.00 -1.05 0.00 0.00 58.31 58.27 1x5g n LYS 93 Cb 0.61 -1.97 -0.02 0.00 -0.65 0.00 0.00 35.03 33.00 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 -0.29 0.00 5.58 3.86 -1.95 -3.49 115.15 118.86 1x5g h HIS 94 Ca 0.64 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 1x5g h HIS 94 Cb 1.62 0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.19 1x5g h HIS 94 CO -0.10 -0.18 0.00 0.41 0.86 0.00 0.00 177.93 178.92 1x5g n GLY 95 N -0.75 0.40 3.56 2.45 0.00 0.18 -5.07 105.19 105.97 1x5g n GLY 95 Ca -0.04 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 2.54 0.46 1.61 0.04 -1.26 -3.58 135.00 132.81 1x5g s PRO 96 Ca 0.00 -0.52 -0.06 0.00 0.04 0.00 0.00 61.00 60.46 1x5g s PRO 96 Cb 0.00 -5.11 0.10 0.00 0.04 0.00 0.00 34.50 29.53 1x5g s PRO 96 CO 0.00 -3.53 0.22 0.41 0.04 0.00 0.00 177.00 174.13 1x5g n GLY 97 N 6.59 -2.20 3.08 0.56 0.00 -1.06 -4.87 105.19 107.28 1x5g n GLY 97 Ca 0.41 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.46 0.00 -4.76 1.61 0.24 -1.25 -4.67 118.33 106.02 1x5g n VAL 98 Ca 0.03 -0.20 -0.25 0.00 -2.04 0.00 0.00 64.34 61.89 1x5g n VAL 98 Cb 0.15 -0.15 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.22 1.96 0.87 -1.34 0.15 -1.26 -4.39 113.70 108.48 1x5g s SER 99 Ca 0.42 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 1x5g s SER 99 Cb -0.03 -0.41 0.12 0.00 -1.71 0.00 0.00 66.02 63.99 1x5g s SER 99 CO 0.71 0.16 1.13 0.35 1.20 0.00 0.00 173.24 176.79 1x5g n THR 100 N 2.97 0.83 -2.21 6.45 -2.24 -0.97 -4.93 114.28 114.18 1x5g n THR 100 Ca -0.17 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.10 1x5g n THR 100 Cb 0.54 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 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 -4.36 4.35 0.19 -0.78 0.04 -1.26 -4.64 135.00 128.54 1x5g s PRO 101 Ca 0.69 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.48 1x5g s PRO 101 Cb -0.26 -3.25 -0.17 0.00 0.04 0.00 0.00 34.50 30.87 1x5g s PRO 101 CO 0.56 -0.38 0.59 -0.40 0.04 0.00 0.00 177.00 177.41 1x5g n ASP 102 N 3.66 -0.99 -3.85 6.66 5.75 -1.26 -4.82 116.55 121.70 1x5g n ASP 102 Ca 0.10 1.14 -0.28 0.00 -0.01 0.00 0.00 54.79 55.74 1x5g n ASP 102 Cb 0.43 -0.97 -0.12 0.00 -1.03 0.00 0.00 41.12 39.43 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1x5g n VAL 103 N 0.13 1.43 -2.22 2.12 0.31 0.18 -4.87 118.33 115.41 1x5g n VAL 103 Ca 0.18 -4.77 -0.41 0.00 -0.01 0.00 0.00 64.34 59.33 1x5g n VAL 103 Cb 0.24 -2.14 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 1x5g n VAL 103 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x5g s ALA 104 N -1.38 3.50 -0.04 3.52 0.00 -1.26 -2.84 121.76 123.27 1x5g s ALA 104 Ca 0.26 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.24 1x5g s ALA 104 Cb -0.03 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1x5g s ALA 104 CO -0.17 -0.52 0.23 0.54 0.00 0.00 0.00 175.76 175.85 1x5g s VAL 105 N -0.39 0.04 -0.19 0.00 0.11 0.29 -4.90 120.40 115.36 1x5g s VAL 105 Ca 0.53 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1x5g s VAL 105 Cb -0.37 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 1x5g s VAL 105 CO 0.43 -0.19 0.11 -0.60 -3.33 0.00 0.00 175.10 171.52 1x5g s ARG 106 N -0.75 4.05 1.01 1.54 3.52 -1.26 0.45 118.95 127.52 1x5g s ARG 106 Ca -0.08 -0.25 -0.14 0.00 -0.13 0.00 0.00 55.73 55.13 1x5g s ARG 106 Cb -0.05 -3.34 0.20 0.00 -1.56 0.00 0.00 34.95 30.20 1x5g s ARG 106 CO 0.02 0.34 1.12 0.95 -0.81 0.00 0.00 175.30 176.92 1x5g s THR 107 N 0.22 1.92 0.36 4.11 -4.23 -0.97 -4.75 115.64 112.30 1x5g s THR 107 Ca 0.07 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.33 1x5g s THR 107 Cb -0.11 -2.60 -0.09 0.00 1.34 0.00 0.00 72.50 71.03 1x5g s THR 107 CO -0.01 0.00 1.07 -0.76 -0.54 0.00 0.00 174.62 174.38 1x5g s LEU 108 N -6.40 4.28 -0.16 4.79 1.43 -1.26 -3.86 118.68 117.50 1x5g s LEU 108 Ca 0.66 2.12 -0.22 0.00 -1.03 0.00 0.00 54.13 55.66 1x5g s LEU 108 Cb -0.15 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.05 1x5g s LEU 108 CO 0.56 -0.39 0.69 -0.94 0.23 0.00 0.00 176.35 176.50 1x5g s SER 109 N -1.33 6.82 -0.20 2.29 1.04 -1.26 -3.00 113.70 118.06 1x5g s SER 109 Ca 0.53 1.00 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 1x5g s SER 109 Cb -0.26 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1x5g s SER 109 CO 0.32 -0.26 2.63 -0.67 0.98 0.00 0.00 173.24 176.25 1x5g n ASP 110 N 4.74 5.90 -0.09 7.02 -0.08 -1.26 -4.02 116.55 128.77 1x5g n ASP 110 Ca -0.00 -2.80 -0.15 0.00 -1.51 0.00 0.00 54.79 50.32 1x5g n ASP 110 Cb 0.50 -1.21 -0.07 0.00 2.34 0.00 0.00 41.12 42.67 1x5g n ASP 110 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x5g n SER 111 N 1.31 2.01 -4.65 1.67 7.64 -1.26 -5.00 113.62 115.33 1x5g n SER 111 Ca 0.32 0.06 -0.46 0.00 1.01 0.00 0.00 58.87 59.79 1x5g n SER 111 Cb 0.64 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 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 2.31 0.83 3.72 0.23 0.00 -1.26 -4.96 105.19 106.06 1x5g n GLY 112 Ca -0.32 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 0.20 1.24 0.31 1.61 0.04 -1.26 -4.94 135.00 132.20 1x5g s PRO 113 Ca 0.74 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 1x5g s PRO 113 Cb -0.71 -1.81 0.48 0.00 0.04 0.00 0.00 34.50 32.50 1x5g s PRO 113 CO 0.45 -2.25 1.98 1.03 0.04 0.00 0.00 177.00 178.24 1x5g h SER 114 N -1.56 0.91 0.20 6.66 0.87 -2.03 -3.20 113.55 115.41 1x5g h SER 114 Ca -0.50 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1x5g h SER 114 Cb 1.28 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1x5g h SER 114 CO 0.55 0.66 -0.10 -1.28 -0.53 0.00 0.00 176.83 176.13 1x5g h SER 115 N 1.07 -0.23 0.00 6.23 0.87 -2.02 -3.57 113.55 115.90 1x5g h SER 115 Ca 0.29 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1x5g h SER 115 Cb -0.12 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1x5g h SER 115 CO -0.06 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 176.97