#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 1.61 -0.06 1.61 1.04 -1.26 -5.18 113.70 111.47 1x5g s SER 2 Ca 0.00 -1.58 -0.31 0.00 0.48 0.00 0.00 55.95 54.54 1x5g s SER 2 Cb 0.00 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.64 1x5g s SER 2 CO 0.00 -0.90 1.06 -0.94 0.98 0.00 0.00 173.24 173.44 1x5g s SER 3 N -3.39 -0.22 0.00 7.02 1.04 -1.26 -5.19 113.70 111.70 1x5g s SER 3 Ca 0.35 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1x5g s SER 3 Cb 0.05 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1x5g s SER 3 CO 0.18 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x5g n GLY 4 N -0.24 -0.46 3.32 7.32 0.00 -1.26 -5.18 105.19 108.70 1x5g n GLY 4 Ca -0.05 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 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 1.52 -0.08 1.61 0.01 -1.26 -5.10 113.70 110.40 1x5g s SER 5 Ca 0.00 -1.60 -0.09 0.00 1.31 0.00 0.00 55.95 55.58 1x5g s SER 5 Cb 0.00 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.62 1x5g s SER 5 CO 0.00 -0.93 -0.19 -1.54 0.41 0.00 0.00 173.24 171.00 1x5g n SER 6 N -1.03 1.38 -0.88 2.44 3.41 -1.26 -5.13 113.62 112.56 1x5g n SER 6 Ca 0.02 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1x5g n SER 6 Cb 0.64 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1x5g n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5g n GLY 7 N 2.31 -1.80 3.59 5.00 0.00 -1.26 -5.14 105.19 107.89 1x5g n GLY 7 Ca -0.14 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 1x5g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x5g s ARG 8 N -1.09 0.34 -0.20 1.61 6.06 -1.26 -5.04 118.95 119.38 1x5g s ARG 8 Ca 0.00 -0.08 0.15 0.00 -2.50 0.00 0.00 55.73 53.30 1x5g s ARG 8 Cb 0.00 0.16 0.43 0.00 0.06 0.00 0.00 34.95 35.60 1x5g s ARG 8 CO 0.00 -0.14 1.32 1.33 -2.50 0.00 0.00 175.30 175.31 1x5g n VAL 9 N 0.09 2.22 -4.25 7.11 0.24 -1.26 -4.98 118.33 117.50 1x5g n VAL 9 Ca -0.02 -2.42 -0.36 0.00 -2.04 0.00 0.00 64.34 59.50 1x5g n VAL 9 Cb 0.59 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 1x5g n VAL 9 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1x5g n GLU 10 N -1.04 -0.72 -4.09 7.34 0.00 -1.26 -4.93 120.64 115.94 1x5g n GLU 10 Ca 0.22 0.08 -0.30 0.00 0.00 0.00 0.00 57.16 57.16 1x5g n GLU 10 Cb 0.82 -3.23 -0.07 0.00 0.00 0.00 0.00 31.44 28.96 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 -4.12 4.29 -0.28 3.84 -4.23 -1.26 -5.12 115.64 108.76 1x5g s THR 11 Ca 0.16 -0.86 -0.21 0.00 -1.18 0.00 0.00 61.69 59.60 1x5g s THR 11 Cb -0.09 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.83 1x5g s THR 11 CO 0.99 0.14 0.95 0.00 -0.54 0.00 0.00 174.62 176.15 1x5g s GLN 12 N -2.31 0.51 0.99 3.99 -2.07 -1.26 -5.18 119.66 114.33 1x5g s GLN 12 Ca 0.27 0.73 -0.12 0.00 -1.82 0.00 0.00 55.36 54.42 1x5g s GLN 12 Cb -0.12 0.18 0.18 0.00 -1.09 0.00 0.00 33.01 32.17 1x5g s GLN 12 CO 0.20 -0.08 1.09 -1.25 -1.32 0.00 0.00 175.29 173.93 1x5g s PRO 13 N 0.82 0.50 0.58 9.60 0.04 -1.26 -4.96 135.00 140.33 1x5g s PRO 13 Ca -0.03 0.55 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 1x5g s PRO 13 Cb -0.04 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 1x5g s PRO 13 CO -0.11 -2.69 0.31 -1.91 0.04 0.00 0.00 177.00 172.65 1x5g n GLU 14 N -4.15 0.33 -3.58 4.56 2.13 -1.26 -5.01 120.64 113.66 1x5g n GLU 14 Ca 0.05 0.13 -0.16 0.00 0.66 0.00 0.00 57.16 57.85 1x5g n GLU 14 Cb 0.57 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 30.70 1x5g n GLU 14 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1x5g s VAL 15 N -1.83 0.00 -1.21 6.31 0.11 -1.26 -5.07 120.40 117.45 1x5g s VAL 15 Ca 0.64 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.63 1x5g s VAL 15 Cb -0.44 -0.99 0.20 0.00 -1.53 0.00 0.00 36.38 33.63 1x5g s VAL 15 CO 0.59 -0.00 1.98 0.00 -3.33 0.00 0.00 175.10 174.33 1x5g n GLN 16 N 1.76 4.46 -4.45 1.54 10.64 -1.26 -4.96 117.38 125.12 1x5g n GLN 16 Ca -0.17 -3.90 -0.23 0.00 -1.83 0.00 0.00 57.00 50.88 1x5g n GLN 16 Cb 0.56 -2.66 -0.10 0.00 -0.86 0.00 0.00 30.24 27.18 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 -2.10 2.60 1.00 2.61 1.02 -1.26 -4.64 118.68 117.91 1x5g s LEU 17 Ca 0.43 -1.09 -0.12 0.00 0.02 0.00 0.00 54.13 53.36 1x5g s LEU 17 Cb 0.14 -0.91 0.19 0.00 0.02 0.00 0.00 46.19 45.63 1x5g s LEU 17 CO -0.04 -0.12 1.09 -2.16 0.02 0.00 0.00 176.35 175.14 1x5g s PRO 18 N -3.60 0.40 0.48 1.29 0.04 -1.26 -4.39 135.00 127.97 1x5g s PRO 18 Ca 0.29 0.52 0.07 0.00 0.04 0.00 0.00 61.00 61.92 1x5g s PRO 18 Cb -0.01 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.81 1x5g s PRO 18 CO 0.13 -2.75 0.47 0.20 0.04 0.00 0.00 177.00 175.09 1x5g s GLY 19 N -3.45 2.12 -0.02 0.56 0.00 -0.88 -3.93 107.32 101.71 1x5g s GLY 19 Ca 0.65 -1.74 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 1x5g s GLY 19 CO 0.58 -1.75 1.46 2.56 0.00 0.00 0.00 173.10 175.94 1x5g s PRO 20 N -4.28 4.25 -0.33 2.90 0.04 -1.26 -4.69 135.00 131.62 1x5g s PRO 20 Ca 0.47 2.01 -0.35 0.00 0.04 0.00 0.00 61.00 63.17 1x5g s PRO 20 Cb -0.04 -3.67 -0.12 0.00 0.04 0.00 0.00 34.50 30.71 1x5g s PRO 20 CO 0.28 -0.66 2.16 0.00 0.04 0.00 0.00 177.00 178.82 1x5g n ALA 21 N 5.85 1.02 -1.06 8.56 0.00 -1.26 -4.62 120.51 129.00 1x5g n ALA 21 Ca 0.14 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 1x5g n ALA 21 Cb 0.43 -2.53 0.26 0.00 0.00 0.00 0.00 19.45 17.61 1x5g n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5g s PRO 22 N 6.00 -1.65 -1.56 0.00 0.04 -1.20 -4.12 135.00 132.51 1x5g s PRO 22 Ca 1.08 -0.22 -0.04 0.00 0.04 0.00 0.00 61.00 61.86 1x5g s PRO 22 Cb -0.86 -1.56 0.04 0.00 0.04 0.00 0.00 34.50 32.16 1x5g s PRO 22 CO 0.50 -3.97 0.26 0.09 0.04 0.00 0.00 177.00 173.92 1x5g n ASN 23 N -4.91 -0.10 -4.59 6.66 5.03 -1.26 -1.09 115.26 115.00 1x5g n ASN 23 Ca 0.15 -1.17 -0.42 0.00 0.87 0.00 0.00 54.58 54.01 1x5g n ASN 23 Cb 0.60 -2.14 -0.02 0.00 -1.02 0.00 0.00 39.78 37.19 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 -7.23 3.49 -0.01 3.41 2.96 -1.26 -3.90 118.68 116.14 1x5g s LEU 24 Ca 0.15 0.28 0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1x5g s LEU 24 Cb -0.09 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 1x5g s LEU 24 CO 0.96 -1.48 -0.10 0.00 -1.32 0.00 0.00 176.35 174.41 1x5g s ARG 25 N 4.97 0.88 -0.03 1.98 1.70 -1.05 -5.01 118.95 122.38 1x5g s ARG 25 Ca 0.48 -0.37 0.01 0.00 -0.47 0.00 0.00 55.73 55.38 1x5g s ARG 25 Cb -0.09 -0.84 0.02 0.00 -0.57 0.00 0.00 34.95 33.48 1x5g s ARG 25 CO 0.27 0.21 -0.01 0.00 -1.08 0.00 0.00 175.30 174.69 1x5g s ALA 26 N -0.17 0.38 -0.07 7.88 0.00 -1.26 -0.50 121.76 128.01 1x5g s ALA 26 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1x5g s ALA 26 Cb -0.05 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1x5g s ALA 26 CO -0.00 -0.04 -0.13 1.52 0.00 0.00 0.00 175.76 177.12 1x5g s TYR 27 N 0.85 1.50 -0.53 0.00 -0.85 -0.62 -4.99 117.35 112.71 1x5g s TYR 27 Ca -0.09 -0.56 -0.27 0.00 -0.52 0.00 0.00 57.07 55.62 1x5g s TYR 27 Cb -0.12 -1.10 -0.01 0.00 0.38 0.00 0.00 41.96 41.11 1x5g s TYR 27 CO -0.01 -0.29 1.68 0.00 -1.52 0.00 0.00 175.55 175.41 1x5g s ALA 28 N 0.67 2.57 0.17 9.51 0.00 -1.26 -1.93 121.76 131.49 1x5g s ALA 28 Ca -0.14 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1x5g s ALA 28 Cb -0.16 -4.16 0.06 0.00 0.00 0.00 0.00 23.12 18.86 1x5g s ALA 28 CO 0.04 -3.25 1.76 0.00 0.00 0.00 0.00 175.76 174.31 1x5g h ALA 29 N 13.05 0.72 -2.37 0.00 0.00 -1.89 -3.44 119.26 125.34 1x5g h ALA 29 Ca -0.28 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1x5g h ALA 29 Cb 1.14 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1x5g h ALA 29 CO 1.16 0.28 -0.66 -1.12 0.00 0.00 0.00 179.25 178.91 1x5g s SER 30 N -5.94 0.51 0.00 0.00 0.01 -1.21 -5.01 113.70 102.05 1x5g s SER 30 Ca -0.13 -1.16 0.10 0.00 1.31 0.00 0.00 55.95 56.07 1x5g s SER 30 Cb 0.12 0.25 0.63 0.00 0.21 0.00 0.00 66.02 67.23 1x5g s SER 30 CO 0.77 -0.67 1.06 -0.81 0.41 0.00 0.00 173.24 174.00 1x5g n PRO 31 N -0.08 0.48 0.00 12.44 -0.04 -1.26 -2.37 135.00 144.16 1x5g n PRO 31 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1x5g n PRO 31 Cb 0.63 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.84 0.00 -4.54 0.52 -2.24 -1.26 -3.67 114.28 102.25 1x5g n THR 32 Ca 0.08 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 1x5g n THR 32 Cb 0.04 0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.30 2.94 -0.19 3.42 1.04 -1.00 0.73 113.70 119.33 1x5g s SER 33 Ca 0.00 -1.53 -0.09 0.00 0.48 0.00 0.00 55.95 54.80 1x5g s SER 33 Cb 0.00 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1x5g s SER 33 CO 0.00 -0.76 0.45 -0.63 0.98 0.00 0.00 173.24 173.28 1x5g s ILE 34 N -3.15 -0.18 -0.41 -1.02 1.01 0.11 -3.36 121.20 114.19 1x5g s ILE 34 Ca 0.27 0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.87 1x5g s ILE 34 Cb 0.05 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 41.88 1x5g s ILE 34 CO 0.13 0.04 0.30 -0.89 0.00 0.00 0.00 174.94 174.52 1x5g s THR 35 N 1.72 5.17 -0.03 2.92 2.01 -0.81 -0.17 115.64 126.45 1x5g s THR 35 Ca -0.08 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1x5g s THR 35 Cb -0.09 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1x5g s THR 35 CO -0.14 -0.33 0.22 -0.69 -0.69 0.00 0.00 174.62 172.99 1x5g s VAL 36 N 1.66 5.37 0.16 3.82 1.01 0.11 -1.59 120.40 130.95 1x5g s VAL 36 Ca 0.05 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.21 1x5g s VAL 36 Cb -0.20 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1x5g s VAL 36 CO 0.09 0.44 -0.06 0.42 0.00 0.00 0.00 175.10 175.99 1x5g s THR 37 N -1.21 1.02 0.02 3.92 -4.23 0.34 -0.20 115.64 115.29 1x5g s THR 37 Ca 0.24 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.44 1x5g s THR 37 Cb -0.13 -1.96 0.09 0.00 1.34 0.00 0.00 72.50 71.84 1x5g s THR 37 CO 0.13 -0.64 0.79 -1.66 -0.54 0.00 0.00 174.62 172.70 1x5g s TRP 38 N -3.43 -0.45 0.34 3.99 -2.14 -0.86 -2.54 118.94 113.85 1x5g s TRP 38 Ca 0.19 0.43 0.08 0.00 2.66 0.00 0.00 56.10 59.45 1x5g s TRP 38 Cb 0.04 0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 30.90 1x5g s TRP 38 CO 0.02 -0.62 0.28 -1.21 -2.66 0.00 0.00 176.95 172.76 1x5g s GLU 39 N -2.78 2.67 -0.06 3.25 0.41 -0.25 -4.66 118.70 117.28 1x5g s GLU 39 Ca 0.01 -1.34 -0.24 0.00 -0.41 0.00 0.00 54.97 52.98 1x5g s GLU 39 Cb -0.01 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.87 1x5g s GLU 39 CO -0.06 0.08 0.74 0.99 -0.49 0.00 0.00 175.26 176.52 1x5g s THR 40 N -2.33 5.02 -0.32 3.63 2.01 -1.26 -3.26 115.64 119.12 1x5g s THR 40 Ca 0.41 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.65 1x5g s THR 40 Cb -0.05 -4.08 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 1x5g s THR 40 CO 0.26 0.23 1.68 -2.16 -0.69 0.00 0.00 174.62 173.95 1x5g s PRO 41 N 0.87 3.48 0.61 4.92 0.04 -1.26 -4.67 135.00 138.99 1x5g s PRO 41 Ca 0.39 1.38 0.26 0.00 0.04 0.00 0.00 61.00 63.07 1x5g s PRO 41 Cb -0.18 -4.13 1.16 0.00 0.04 0.00 0.00 34.50 31.39 1x5g s PRO 41 CO 0.19 -1.68 1.60 -0.39 0.04 0.00 0.00 177.00 176.77 1x5g h VAL 42 N 6.60 0.15 -2.76 -0.36 -1.51 -1.94 -2.79 116.25 113.64 1x5g h VAL 42 Ca -0.33 0.00 -0.80 0.00 -1.23 0.00 0.00 66.70 64.35 1x5g h VAL 42 Cb 1.15 0.34 -0.26 0.00 -2.13 0.00 0.00 31.29 30.40 1x5g h VAL 42 CO 1.03 0.00 0.95 -1.20 -1.23 0.00 0.00 177.57 177.12 1x5g n SER 43 N -3.33 6.01 -4.02 4.19 7.64 -1.26 -4.96 113.62 117.90 1x5g n SER 43 Ca 0.12 -3.28 -0.31 0.00 1.01 0.00 0.00 58.87 56.41 1x5g n SER 43 Cb 0.99 -1.34 -0.16 0.00 -1.01 0.00 0.00 64.21 62.69 1x5g n SER 43 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5g s GLY 44 N -0.62 1.38 -0.03 0.23 0.00 -1.05 -2.08 107.32 105.15 1x5g s GLY 44 Ca 0.33 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 1x5g s GLY 44 CO 0.05 0.68 2.03 0.70 0.00 0.00 0.00 173.10 176.56 1x5g n ASN 45 N 4.61 3.93 0.00 1.64 3.02 -1.26 -4.52 115.26 122.68 1x5g n ASN 45 Ca -0.15 0.74 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1x5g n ASN 45 Cb 0.45 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 1x5g n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5g n GLY 46 N 4.84 2.56 3.04 7.41 0.00 -1.26 -4.80 105.19 116.97 1x5g n GLY 46 Ca 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1x5g n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5g s GLU 47 N 0.00 0.39 -0.08 1.61 2.02 -1.26 -5.14 118.70 116.24 1x5g s GLU 47 Ca 0.00 -0.52 -0.27 0.00 0.02 0.00 0.00 54.97 54.20 1x5g s GLU 47 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 1x5g s GLU 47 CO 0.00 -0.08 0.86 0.42 0.02 0.00 0.00 175.26 176.47 1x5g s ILE 48 N -1.46 4.92 -0.15 -1.63 -1.09 -1.26 -4.54 121.20 116.00 1x5g s ILE 48 Ca -0.15 1.75 -0.11 0.00 -2.23 0.00 0.00 60.65 59.91 1x5g s ILE 48 Cb -0.09 -4.18 -0.07 0.00 -1.58 0.00 0.00 42.46 36.54 1x5g s ILE 48 CO 0.00 0.13 -0.02 1.56 -1.23 0.00 0.00 174.94 175.39 1x5g h GLN 49 N 6.97 0.00 -3.78 2.79 1.08 -1.91 -3.50 115.11 116.76 1x5g h GLN 49 Ca -0.37 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 56.75 1x5g h GLN 49 Cb 1.18 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.47 1x5g h GLN 49 CO 0.79 0.25 -0.36 1.21 -0.95 0.00 0.00 178.83 179.77 1x5g s ASN 50 N -5.95 0.10 -0.03 1.46 2.47 -1.23 -5.10 114.94 106.67 1x5g s ASN 50 Ca -0.15 -0.62 0.04 0.00 0.42 0.00 0.00 52.86 52.55 1x5g s ASN 50 Cb 0.02 0.34 -0.03 0.00 -1.45 0.00 0.00 41.25 40.13 1x5g s ASN 50 CO 0.28 -0.72 -0.13 -0.31 -3.72 0.00 0.00 177.10 172.50 1x5g s TYR 51 N -3.76 2.72 -0.31 0.43 2.02 -1.25 -3.25 117.35 113.96 1x5g s TYR 51 Ca 0.04 -0.14 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 1x5g s TYR 51 Cb 0.04 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1x5g s TYR 51 CO -0.10 0.24 0.05 0.21 -1.57 0.00 0.00 175.55 174.38 1x5g s LYS 52 N -0.98 2.76 -0.20 -0.62 2.20 -1.06 -3.17 119.74 118.67 1x5g s LYS 52 Ca 0.13 -1.07 -0.10 0.00 -0.36 0.00 0.00 55.97 54.57 1x5g s LYS 52 Cb -0.11 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 1x5g s LYS 52 CO 0.03 -0.55 0.13 -1.17 -0.36 0.00 0.00 175.35 173.42 1x5g s LEU 53 N 1.39 4.21 0.29 5.43 2.96 -0.92 -2.26 118.68 129.79 1x5g s LEU 53 Ca -0.01 0.23 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1x5g s LEU 53 Cb -0.18 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1x5g s LEU 53 CO 0.01 0.19 0.18 -0.31 -1.32 0.00 0.00 176.35 175.10 1x5g s TYR 54 N 0.32 2.91 -0.28 5.38 1.51 -0.85 0.62 117.35 126.95 1x5g s TYR 54 Ca 0.08 -0.23 -0.15 0.00 -1.01 0.00 0.00 57.07 55.76 1x5g s TYR 54 Cb -0.11 -1.52 0.10 0.00 -0.11 0.00 0.00 41.96 40.32 1x5g s TYR 54 CO -0.02 0.41 0.75 1.52 -1.11 0.00 0.00 175.55 177.10 1x5g s TYR 55 N -2.27 -0.99 0.14 2.71 1.13 -1.23 -3.52 117.35 113.33 1x5g s TYR 55 Ca 0.36 1.94 -0.15 0.00 -1.41 0.00 0.00 57.07 57.80 1x5g s TYR 55 Cb -0.06 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.42 1x5g s TYR 55 CO 0.24 -0.49 0.40 0.00 -2.51 0.00 0.00 175.55 173.19 1x5g s MET 56 N 1.74 1.13 0.01 -3.49 0.23 -0.86 -3.29 119.30 114.77 1x5g s MET 56 Ca -0.09 -0.80 -0.21 0.00 -1.03 0.00 0.00 55.69 53.55 1x5g s MET 56 Cb -0.06 0.46 -0.06 0.00 -1.53 0.00 0.00 34.83 33.65 1x5g s MET 56 CO -0.19 -0.44 0.62 -2.00 -2.03 0.00 0.00 175.02 170.98 1x5g s GLU 57 N -3.84 4.34 -0.65 3.16 2.12 -1.26 0.39 118.70 122.96 1x5g s GLU 57 Ca 0.06 0.80 -0.26 0.00 0.36 0.00 0.00 54.97 55.93 1x5g s GLU 57 Cb 0.02 -3.34 -0.11 0.00 0.26 0.00 0.00 34.13 30.96 1x5g s GLU 57 CO -0.09 0.38 2.42 1.17 -0.54 0.00 0.00 175.26 178.60 1x5g n LYS 58 N 2.64 0.77 0.00 4.30 3.00 -1.22 -2.33 118.16 125.32 1x5g n LYS 58 Ca -0.06 -0.38 0.00 0.00 -0.00 0.00 0.00 58.31 57.86 1x5g n LYS 58 Cb 0.51 -3.46 0.00 0.00 0.00 0.00 0.00 35.03 32.08 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 1.00 0.00 3.14 0.00 -1.26 -5.03 105.19 109.40 1x5g n GLY 59 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.00 2.61 -1.04 -0.99 -5.02 114.28 107.85 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 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.19 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 -1.41 -4.97 -3.51 8.00 9.92 -1.26 -4.97 116.55 118.34 1x5g n ASP 61 Ca 0.00 0.15 -0.16 0.00 -0.53 0.00 0.00 54.79 54.25 1x5g n ASP 61 Cb 0.22 -4.02 -0.12 0.00 -0.64 0.00 0.00 41.12 36.55 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 -4.29 0.20 0.06 -1.24 2.47 -1.26 -5.15 119.74 110.53 1x5g s LYS 62 Ca 0.00 0.36 -0.06 0.00 -1.56 0.00 0.00 55.97 54.71 1x5g s LYS 62 Cb 0.00 -0.86 -0.05 0.00 -1.46 0.00 0.00 37.83 35.46 1x5g s LYS 62 CO 0.00 -0.57 0.31 -2.00 0.16 0.00 0.00 175.35 173.25 1x5g s GLU 63 N 2.37 3.60 0.55 4.03 2.12 -1.26 -4.69 118.70 125.42 1x5g s GLU 63 Ca 0.06 -0.08 0.04 0.00 0.36 0.00 0.00 54.97 55.35 1x5g s GLU 63 Cb -0.15 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.28 1x5g s GLU 63 CO -0.12 0.58 0.31 -0.65 -0.54 0.00 0.00 175.26 174.84 1x5g s GLN 64 N -2.13 2.24 -0.07 4.30 -1.52 -1.21 -4.98 119.66 116.29 1x5g s GLN 64 Ca 0.33 -2.16 -0.06 0.00 -1.95 0.00 0.00 55.36 51.52 1x5g s GLN 64 Cb -0.13 -1.94 0.02 0.00 -0.22 0.00 0.00 33.01 30.74 1x5g s GLN 64 CO 0.20 -0.60 0.18 0.16 -0.25 0.00 0.00 175.29 174.99 1x5g s ASP 65 N -4.20 -0.19 -0.02 5.90 1.47 -1.26 -3.46 116.67 114.91 1x5g s ASP 65 Ca 0.25 0.37 0.02 0.00 1.18 0.00 0.00 52.55 54.37 1x5g s ASP 65 Cb -0.02 0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.94 1x5g s ASP 65 CO 0.15 -0.06 -0.07 0.68 0.68 0.00 0.00 175.17 176.55 1x5g s VAL 66 N 0.11 0.59 -0.31 2.11 -7.23 0.20 -4.97 120.40 110.90 1x5g s VAL 66 Ca -0.00 -0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 1x5g s VAL 66 Cb -0.01 -0.52 0.01 0.00 0.56 0.00 0.00 36.38 36.42 1x5g s VAL 66 CO 0.00 0.18 1.19 -0.62 -0.31 0.00 0.00 175.10 175.54 1x5g s ASP 67 N 0.09 6.81 -0.14 4.85 -1.08 -1.26 -2.16 116.67 123.78 1x5g s ASP 67 Ca -0.01 1.14 0.02 0.00 -0.52 0.00 0.00 52.55 53.18 1x5g s ASP 67 Cb -0.06 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.87 1x5g s ASP 67 CO -0.00 -0.97 -0.21 -0.69 0.52 0.00 0.00 175.17 173.82 1x5g s VAL 68 N 3.98 2.17 -0.81 1.11 1.01 -1.19 -5.01 120.40 121.66 1x5g s VAL 68 Ca 0.51 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1x5g s VAL 68 Cb -0.15 -1.87 0.36 0.00 0.00 0.00 0.00 36.38 34.72 1x5g s VAL 68 CO 0.19 0.54 1.88 -1.20 0.00 0.00 0.00 175.10 176.52 1x5g n SER 69 N 4.00 7.13 -3.64 3.32 7.64 -1.26 -3.77 113.62 127.03 1x5g n SER 69 Ca -0.20 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 55.88 1x5g n SER 69 Cb 0.52 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1x5g n SER 69 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5g s SER 70 N -1.45 -0.05 0.30 6.43 0.15 -1.26 -5.02 113.70 112.80 1x5g s SER 70 Ca 0.50 -0.30 0.13 0.00 0.70 0.00 0.00 55.95 56.99 1x5g s SER 70 Cb 0.41 0.28 0.45 0.00 -1.71 0.00 0.00 66.02 65.44 1x5g s SER 70 CO -0.36 -0.53 1.64 0.45 1.20 0.00 0.00 173.24 175.64 1x5g h HIS 71 N 2.00 0.00 -3.82 3.44 3.86 -1.92 -3.45 115.15 115.26 1x5g h HIS 71 Ca -0.27 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.50 1x5g h HIS 71 Cb 1.21 0.00 -0.20 0.00 1.06 0.00 0.00 27.41 29.47 1x5g h HIS 71 CO 0.76 0.54 -0.78 0.45 0.86 0.00 0.00 177.93 179.76 1x5g s SER 72 N -6.69 1.94 0.23 2.45 0.15 -1.26 -2.04 113.70 108.48 1x5g s SER 72 Ca -0.01 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1x5g s SER 72 Cb 0.12 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1x5g s SER 72 CO 0.74 -0.08 0.13 -0.47 1.20 0.00 0.00 173.24 174.77 1x5g s TYR 73 N -1.55 1.32 -0.11 3.44 5.04 0.72 -4.93 117.35 121.27 1x5g s TYR 73 Ca 0.03 -1.35 -0.02 0.00 -2.44 0.00 0.00 57.07 53.30 1x5g s TYR 73 Cb -0.08 -0.67 0.04 0.00 0.35 0.00 0.00 41.96 41.59 1x5g s TYR 73 CO 0.03 -0.57 0.00 0.99 -1.34 0.00 0.00 175.55 174.66 1x5g s THR 74 N -3.98 0.51 -0.33 4.34 2.01 -1.26 -0.71 115.64 116.22 1x5g s THR 74 Ca 0.39 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 1x5g s THR 74 Cb 0.07 -0.76 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1x5g s THR 74 CO 0.14 0.14 0.21 -0.63 -0.69 0.00 0.00 174.62 173.78 1x5g s ILE 75 N 1.90 5.01 0.21 1.82 1.01 0.77 -4.92 121.20 127.00 1x5g s ILE 75 Ca 0.03 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1x5g s ILE 75 Cb -0.14 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1x5g s ILE 75 CO -0.06 0.02 0.16 0.54 0.00 0.00 0.00 174.94 175.60 1x5g s ASN 76 N 1.68 5.49 0.00 3.58 2.20 -1.26 0.03 114.94 126.66 1x5g s ASN 76 Ca 0.05 -0.21 0.00 0.00 -0.94 0.00 0.00 52.86 51.77 1x5g s ASN 76 Cb -0.17 -1.40 0.00 0.00 -2.00 0.00 0.00 41.25 37.68 1x5g s ASN 76 CO 0.09 0.02 0.00 0.61 -2.94 0.00 0.00 177.10 174.87 1x5g n GLY 77 N -0.76 0.65 3.59 0.45 0.00 -0.75 -4.95 105.19 103.42 1x5g n GLY 77 Ca -0.08 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.00 2.42 0.44 0.99 1.43 0.22 -5.02 118.68 118.16 1x5g s LEU 78 Ca 0.00 -1.49 -0.21 0.00 -1.03 0.00 0.00 54.13 51.41 1x5g s LEU 78 Cb 0.00 -0.61 -0.11 0.00 0.03 0.00 0.00 46.19 45.51 1x5g s LEU 78 CO 0.00 -0.66 0.95 -0.54 0.23 0.00 0.00 176.35 176.33 1x5g s LYS 79 N -3.80 4.20 0.33 1.70 1.02 -1.26 -4.62 119.74 117.31 1x5g s LYS 79 Ca 0.27 1.12 -0.26 0.00 0.02 0.00 0.00 55.97 57.11 1x5g s LYS 79 Cb 0.07 -2.18 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 1x5g s LYS 79 CO 0.13 -0.05 0.99 0.15 -0.92 0.00 0.00 175.35 175.65 1x5g s LYS 80 N -3.22 4.52 -1.58 1.68 1.02 -1.24 -3.69 119.74 117.23 1x5g s LYS 80 Ca 0.62 1.45 -0.11 0.00 0.02 0.00 0.00 55.97 57.94 1x5g s LYS 80 Cb -0.09 -2.83 0.09 0.00 -0.52 0.00 0.00 37.83 34.48 1x5g s LYS 80 CO 0.14 0.20 0.67 0.98 -0.92 0.00 0.00 175.35 176.41 1x5g n TYR 81 N 0.58 -1.76 -4.73 3.18 9.36 -1.21 -4.95 117.16 117.63 1x5g n TYR 81 Ca 0.02 0.79 -0.24 0.00 3.32 0.00 0.00 57.90 61.79 1x5g n TYR 81 Cb 0.49 -3.34 -0.15 0.00 -0.63 0.00 0.00 39.34 35.71 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 -3.55 1.23 0.42 2.97 2.01 -1.24 -4.87 115.64 112.62 1x5g s THR 82 Ca 0.46 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.58 1x5g s THR 82 Cb -0.25 -1.03 -0.10 0.00 0.01 0.00 0.00 72.50 71.13 1x5g s THR 82 CO 0.90 0.35 0.97 -0.70 -0.69 0.00 0.00 174.62 175.45 1x5g s GLU 83 N -0.31 4.21 -0.09 4.92 2.12 -1.26 -2.73 118.70 125.56 1x5g s GLU 83 Ca 0.05 1.20 -0.05 0.00 0.36 0.00 0.00 54.97 56.53 1x5g s GLU 83 Cb -0.07 -2.26 0.04 0.00 0.26 0.00 0.00 34.13 32.11 1x5g s GLU 83 CO -0.00 -0.06 0.21 0.71 -0.54 0.00 0.00 175.26 175.58 1x5g s TYR 84 N -2.06 -0.26 0.19 5.30 2.02 -0.08 -3.46 117.35 119.00 1x5g s TYR 84 Ca 0.61 0.66 -0.26 0.00 -0.37 0.00 0.00 57.07 57.71 1x5g s TYR 84 Cb -0.12 0.00 -0.08 0.00 -0.40 0.00 0.00 41.96 41.36 1x5g s TYR 84 CO 0.16 -0.20 0.81 0.45 -1.57 0.00 0.00 175.55 175.20 1x5g s SER 85 N 1.13 7.43 0.00 2.29 0.15 0.16 -1.16 113.70 123.70 1x5g s SER 85 Ca -0.08 1.71 0.01 0.00 0.70 0.00 0.00 55.95 58.29 1x5g s SER 85 Cb -0.10 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1x5g s SER 85 CO -0.07 0.19 -0.05 -0.36 1.20 0.00 0.00 173.24 174.15 1x5g s PHE 86 N -1.18 0.41 0.10 3.44 0.08 -1.01 -2.03 117.98 117.78 1x5g s PHE 86 Ca 0.38 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 57.21 1x5g s PHE 86 Cb -0.23 -0.26 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1x5g s PHE 86 CO 0.27 -0.02 0.23 -0.98 -0.10 0.00 0.00 175.22 174.63 1x5g s ARG 87 N -0.24 0.91 -0.01 0.44 1.70 -1.23 -0.48 118.95 120.04 1x5g s ARG 87 Ca 0.00 -0.95 0.04 0.00 -0.47 0.00 0.00 55.73 54.36 1x5g s ARG 87 Cb -0.02 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1x5g s ARG 87 CO -0.00 -0.31 -0.14 0.08 -1.08 0.00 0.00 175.30 173.85 1x5g s VAL 88 N -3.87 1.14 -0.04 4.99 1.01 -1.26 -2.01 120.40 120.37 1x5g s VAL 88 Ca 0.06 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1x5g s VAL 88 Cb 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1x5g s VAL 88 CO -0.10 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.50 1x5g s VAL 89 N -0.34 1.13 0.04 2.92 1.01 -0.96 -3.05 120.40 121.15 1x5g s VAL 89 Ca 0.05 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 1x5g s VAL 89 Cb -0.06 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1x5g s VAL 89 CO -0.01 0.34 0.65 0.00 0.00 0.00 0.00 175.10 176.08 1x5g s ALA 90 N 0.13 3.47 -0.20 5.51 0.00 -1.26 -2.55 121.76 126.85 1x5g s ALA 90 Ca -0.04 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 1x5g s ALA 90 Cb -0.10 -2.81 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1x5g s ALA 90 CO 0.01 0.20 -0.03 0.71 0.00 0.00 0.00 175.76 176.66 1x5g s TYR 91 N -0.46 1.85 0.21 0.00 2.02 -1.20 -3.13 117.35 116.64 1x5g s TYR 91 Ca 0.33 -1.33 0.03 0.00 -0.37 0.00 0.00 57.07 55.73 1x5g s TYR 91 Cb -0.20 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 39.95 1x5g s TYR 91 CO 0.20 -0.69 -0.00 0.54 -1.57 0.00 0.00 175.55 174.03 1x5g s ASN 92 N 1.58 1.61 0.22 2.29 2.20 -1.25 -2.70 114.94 118.90 1x5g s ASN 92 Ca -0.03 -1.20 -0.03 0.00 -0.94 0.00 0.00 52.86 50.67 1x5g s ASN 92 Cb -0.17 0.05 0.45 0.00 -2.00 0.00 0.00 41.25 39.58 1x5g s ASN 92 CO -0.07 -0.53 1.18 2.29 -2.94 0.00 0.00 177.10 177.03 1x5g n LYS 93 N -0.35 -0.06 0.04 3.55 2.85 -1.26 -0.68 118.16 122.24 1x5g n LYS 93 Ca -0.06 1.15 -0.04 0.00 -1.05 0.00 0.00 58.31 58.32 1x5g n LYS 93 Cb 0.64 -1.77 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 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 -0.31 0.00 5.58 3.86 -1.89 -3.49 115.15 118.91 1x5g h HIS 94 Ca 0.41 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1x5g h HIS 94 Cb 0.73 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.33 1x5g h HIS 94 CO -0.49 -0.13 0.00 0.41 0.86 0.00 0.00 177.93 178.58 1x5g n GLY 95 N -1.11 0.05 3.62 2.45 0.00 0.15 -5.07 105.19 105.28 1x5g n GLY 95 Ca -0.02 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 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 3.66 0.00 1.61 0.04 -1.26 -3.94 135.00 133.11 1x5g s PRO 96 Ca 0.00 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1x5g s PRO 96 Cb 0.00 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1x5g s PRO 96 CO 0.00 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1x5g n GLY 97 N 4.89 -0.54 3.05 0.56 0.00 -1.18 -4.96 105.19 107.01 1x5g n GLY 97 Ca 0.20 -1.74 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.39 0.00 -4.36 1.61 0.24 -1.25 -4.75 118.33 108.42 1x5g n VAL 98 Ca 0.00 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 1x5g n VAL 98 Cb 0.00 -0.55 -0.15 0.00 -1.47 0.00 0.00 33.84 31.67 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 -2.08 1.14 0.87 -1.34 0.15 -1.26 -4.45 113.70 106.73 1x5g s SER 99 Ca 0.40 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 1x5g s SER 99 Cb -0.07 -0.31 0.09 0.00 -1.71 0.00 0.00 66.02 64.02 1x5g s SER 99 CO 0.37 0.06 0.95 0.35 1.20 0.00 0.00 173.24 176.17 1x5g n THR 100 N 3.30 0.86 -2.21 6.45 -2.24 -1.17 -4.92 114.28 114.35 1x5g n THR 100 Ca -0.18 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1x5g n THR 100 Cb 0.54 -0.96 -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 -4.07 4.36 0.11 -0.78 0.04 -1.26 -4.71 135.00 128.68 1x5g s PRO 101 Ca 0.67 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.49 1x5g s PRO 101 Cb -0.26 -3.23 -0.15 0.00 0.04 0.00 0.00 34.50 30.90 1x5g s PRO 101 CO 0.58 -0.34 0.57 -0.25 0.04 0.00 0.00 177.00 177.59 1x5g n ASP 102 N 3.37 -0.69 -3.75 6.66 8.00 -1.26 -4.88 116.55 124.00 1x5g n ASP 102 Ca 0.09 0.93 -0.28 0.00 0.71 0.00 0.00 54.79 56.24 1x5g n ASP 102 Cb 0.43 -0.76 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 1x5g n ASP 102 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1x5g n VAL 103 N 0.40 1.35 -2.28 2.53 0.31 0.37 -4.90 118.33 116.11 1x5g n VAL 103 Ca 0.15 -4.73 -0.41 0.00 -0.01 0.00 0.00 64.34 59.34 1x5g n VAL 103 Cb 0.16 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 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 -1.44 3.49 0.01 3.52 0.00 -1.26 -2.41 121.76 123.69 1x5g s ALA 104 Ca 0.28 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1x5g s ALA 104 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1x5g s ALA 104 CO -0.15 -0.49 -0.04 0.54 0.00 0.00 0.00 175.76 175.63 1x5g s VAL 105 N 0.28 0.25 -0.19 0.00 0.11 -0.31 -4.89 120.40 115.65 1x5g s VAL 105 Ca 0.57 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 1x5g s VAL 105 Cb -0.35 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 1x5g s VAL 105 CO 0.36 -0.15 0.24 -0.60 -3.33 0.00 0.00 175.10 171.62 1x5g s ARG 106 N -0.67 4.19 0.62 1.54 3.52 -1.26 -0.91 118.95 125.98 1x5g s ARG 106 Ca -0.05 -0.04 -0.15 0.00 -0.13 0.00 0.00 55.73 55.35 1x5g s ARG 106 Cb -0.05 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1x5g s ARG 106 CO -0.00 0.18 1.07 0.95 -0.81 0.00 0.00 175.30 176.69 1x5g s THR 107 N 0.67 3.68 0.58 4.11 -4.23 -1.10 -4.78 115.64 114.57 1x5g s THR 107 Ca 0.13 0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 61.22 1x5g s THR 107 Cb -0.13 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.35 1x5g s THR 107 CO 0.03 -0.49 1.00 0.18 -0.54 0.00 0.00 174.62 174.80 1x5g n LEU 108 N -2.20 3.73 -4.54 4.79 4.77 -1.26 -3.86 117.00 118.43 1x5g n LEU 108 Ca 0.09 0.84 -0.41 0.00 -0.03 0.00 0.00 56.01 56.51 1x5g n LEU 108 Cb 0.53 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1x5g n LEU 108 CO 0.48 -1.71 0.00 -0.94 -1.33 0.00 0.00 177.39 173.89 1x5g s SER 109 N -1.16 6.15 0.21 -1.43 1.04 -1.26 -3.29 113.70 113.96 1x5g s SER 109 Ca 0.74 -0.27 -0.31 0.00 0.48 0.00 0.00 55.95 56.59 1x5g s SER 109 Cb -0.43 -2.18 -0.15 0.00 0.10 0.00 0.00 66.02 63.35 1x5g s SER 109 CO 0.48 -0.32 1.06 -0.90 0.98 0.00 0.00 173.24 174.54 1x5g n ASP 110 N 5.33 1.08 -4.54 7.02 5.68 -1.26 -4.80 116.55 125.05 1x5g n ASP 110 Ca -0.10 1.15 -0.48 0.00 -0.50 0.00 0.00 54.79 54.87 1x5g n ASP 110 Cb 0.49 -1.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.23 1x5g n ASP 110 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1x5g n SER 111 N 1.76 0.76 -0.65 -1.12 2.88 -1.26 -4.92 113.62 111.06 1x5g n SER 111 Ca 0.14 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1x5g n SER 111 Cb 0.27 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1x5g n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5g n GLY 112 N 1.72 1.35 3.56 0.46 0.00 -1.26 -5.09 105.19 105.93 1x5g n GLY 112 Ca 0.14 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.95 2.58 -0.34 1.61 0.04 -1.26 -4.95 135.00 131.73 1x5g s PRO 113 Ca 0.00 0.04 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 1x5g s PRO 113 Cb 0.00 -4.82 -0.00 0.00 0.04 0.00 0.00 34.50 29.72 1x5g s PRO 113 CO 0.00 -3.15 0.20 0.45 0.04 0.00 0.00 177.00 174.54 1x5g s SER 114 N 8.08 5.78 0.00 6.66 0.15 -1.26 -4.88 113.70 128.23 1x5g s SER 114 Ca 0.69 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1x5g s SER 114 Cb -0.09 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1x5g s SER 114 CO 0.07 -0.26 0.00 -1.54 1.20 0.00 0.00 173.24 172.71 1x5g n SER 115 N 5.04 1.83 0.00 5.45 3.41 -1.26 -5.31 113.62 122.78 1x5g n SER 115 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1x5g n SER 115 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1x5g n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49