#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4j s GLN 8 N 0.00 0.92 -0.13 6.28 -2.07 -1.26 -4.89 119.66 118.51 1m4j s GLN 8 Ca 0.00 -1.30 -0.14 0.00 -1.82 0.00 0.00 55.36 52.10 1m4j s GLN 8 Cb 0.00 0.28 -0.05 0.00 -1.09 0.00 0.00 33.01 32.15 1m4j s GLN 8 CO 0.00 -0.28 0.33 0.00 -1.32 0.00 0.00 175.29 174.02 1m4j s ALA 9 N -3.99 3.60 1.03 2.60 0.00 -1.26 -3.23 121.76 120.51 1m4j s ALA 9 Ca 0.18 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 1m4j s ALA 9 Cb 0.06 -2.41 0.21 0.00 0.00 0.00 0.00 23.12 20.98 1m4j s ALA 9 CO -0.02 0.16 1.09 -1.54 0.00 0.00 0.00 175.76 175.45 1m4j s SER 10 N 0.19 2.35 0.44 0.00 1.04 -1.26 -4.82 113.70 111.64 1m4j s SER 10 Ca 0.19 1.17 0.24 0.00 0.48 0.00 0.00 55.95 58.03 1m4j s SER 10 Cb -0.14 -1.84 0.78 0.00 0.10 0.00 0.00 66.02 64.92 1m4j s SER 10 CO 0.06 -3.30 1.76 -0.33 0.98 0.00 0.00 173.24 172.42 1m4j h GLU 11 N -2.01 0.00 -0.64 4.02 4.39 -1.98 -1.24 114.58 117.13 1m4j h GLU 11 Ca -0.56 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.08 1m4j h GLU 11 Cb 1.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1m4j h GLU 11 CO 0.57 0.19 0.15 -0.44 -1.16 0.00 0.00 179.01 178.32 1m4j h ASP 12 N 0.00 0.98 -0.26 1.42 3.32 -2.00 -0.54 116.42 119.33 1m4j h ASP 12 Ca -0.00 -0.24 -0.18 0.00 0.02 0.00 0.00 57.03 56.63 1m4j h ASP 12 Cb 0.84 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1m4j h ASP 12 CO 0.02 0.96 -0.51 0.58 -1.72 0.00 0.00 179.24 178.58 1m4j h VAL 13 N 0.95 1.28 0.00 -1.35 2.07 -1.81 -3.04 116.25 114.35 1m4j h VAL 13 Ca 0.20 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.99 1m4j h VAL 13 Cb 0.37 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1m4j h VAL 13 CO 0.00 0.55 -0.17 0.11 0.02 0.00 0.00 177.57 178.09 1m4j h LYS 14 N 0.66 0.00 -0.29 1.57 1.57 -0.89 -0.03 116.57 119.16 1m4j h LYS 14 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 1m4j h LYS 14 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1m4j h LYS 14 CO 0.11 0.17 -0.47 1.49 -0.57 0.00 0.00 179.45 180.19 1m4j h GLU 15 N 0.00 0.78 -0.24 3.15 4.22 -0.99 -2.05 114.58 119.45 1m4j h GLU 15 Ca -0.00 -0.44 -0.14 0.00 0.08 0.00 0.00 59.36 58.86 1m4j h GLU 15 Cb 0.50 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1m4j h GLU 15 CO 0.02 1.07 -0.43 0.82 -2.18 0.00 0.00 179.01 178.32 1m4j h ILE 16 N 0.62 1.30 -0.92 2.32 2.04 -1.24 -2.26 117.51 119.37 1m4j h ILE 16 Ca 0.03 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.31 1m4j h ILE 16 Cb 1.04 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1m4j h ILE 16 CO 0.10 0.51 0.60 -0.26 0.00 0.00 0.00 178.15 179.10 1m4j h PHE 17 N 0.47 1.14 -0.43 1.37 0.05 -0.81 -0.03 116.94 118.70 1m4j h PHE 17 Ca 0.04 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.80 1m4j h PHE 17 Cb 0.94 -0.38 -0.02 0.00 2.00 0.00 0.00 35.95 38.49 1m4j h PHE 17 CO 0.04 0.68 0.06 0.00 -0.18 0.00 0.00 178.31 178.91 1m4j h ALA 18 N 1.36 0.57 -0.72 2.45 0.00 -1.11 -0.40 119.26 121.41 1m4j h ALA 18 Ca 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1m4j h ALA 18 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1m4j h ALA 18 CO -0.10 0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.81 1m4j h ARG 19 N 0.56 1.03 -0.01 0.00 3.08 -0.89 -1.31 114.38 116.84 1m4j h ARG 19 Ca 0.13 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1m4j h ARG 19 Cb 0.39 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1m4j h ARG 19 CO 0.01 0.79 0.00 0.00 -1.07 0.00 0.00 179.97 179.70 1m4j h ALA 20 N 1.18 0.01 0.00 0.04 0.00 -0.78 -2.46 119.26 117.25 1m4j h ALA 20 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1m4j h ALA 20 Cb 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1m4j h ALA 20 CO -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 179.25 178.73 1m4j h ARG 21 N -0.09 0.00 0.00 0.00 3.08 -0.86 0.97 114.38 117.49 1m4j h ARG 21 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1m4j h ARG 21 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1m4j h ARG 21 CO -0.00 0.05 0.00 -1.71 -1.07 0.00 0.00 179.97 177.23 1m4j n ASN 22 N -3.32 0.49 0.00 7.04 5.15 -0.51 -4.56 115.26 119.55 1m4j n ASN 22 Ca -0.02 0.60 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 1m4j n ASN 22 Cb 0.20 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 38.74 1m4j n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m4j n GLY 23 N 0.38 0.79 0.26 8.20 0.00 0.33 -4.99 105.19 110.17 1m4j n GLY 23 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1m4j n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1m4j h LYS 24 N 2.03 0.00 -6.11 1.61 1.57 -1.52 -3.43 116.57 110.72 1m4j h LYS 24 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1m4j h LYS 24 Cb 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.04 1m4j h LYS 24 CO 0.00 0.09 -0.85 0.71 -0.57 0.00 0.00 179.45 178.83 1m4j s TYR 25 N -4.48 1.87 -0.06 -1.35 1.51 -1.25 -4.28 117.35 109.30 1m4j s TYR 25 Ca -0.04 -0.37 0.11 0.00 -1.01 0.00 0.00 57.07 55.76 1m4j s TYR 25 Cb 0.15 -1.15 -0.23 0.00 -0.11 0.00 0.00 41.96 40.62 1m4j s TYR 25 CO 0.61 0.05 0.60 -2.13 -1.11 0.00 0.00 175.55 173.56 1m4j n ARG 26 N 2.10 0.65 -3.84 -0.62 3.00 0.20 -4.75 116.66 113.40 1m4j n ARG 26 Ca -0.16 0.28 -0.12 0.00 -0.00 0.00 0.00 57.85 57.84 1m4j n ARG 26 Cb 0.53 -1.77 -0.11 0.00 0.00 0.00 0.00 32.46 31.11 1m4j n ARG 26 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1m4j s LEU 27 N -6.15 1.42 -0.06 6.15 0.20 -0.87 -0.39 118.68 118.96 1m4j s LEU 27 Ca -0.07 0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.89 1m4j s LEU 27 Cb 0.08 0.64 0.02 0.00 -0.43 0.00 0.00 46.19 46.49 1m4j s LEU 27 CO 0.82 -0.19 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.84 1m4j s LEU 28 N -0.53 1.48 -0.23 -0.68 1.43 -0.37 -1.39 118.68 118.39 1m4j s LEU 28 Ca -0.06 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1m4j s LEU 28 Cb -0.04 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1m4j s LEU 28 CO 0.01 -0.01 0.08 -0.75 0.23 0.00 0.00 176.35 175.91 1m4j s LYS 29 N 0.88 3.79 -0.10 1.70 2.20 0.25 -0.71 119.74 127.75 1m4j s LYS 29 Ca -0.11 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1m4j s LYS 29 Cb -0.15 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1m4j s LYS 29 CO 0.01 -0.05 -0.10 0.42 -0.36 0.00 0.00 175.35 175.27 1m4j s ILE 30 N 1.25 3.34 0.28 5.43 -1.09 0.60 -0.61 121.20 130.41 1m4j s ILE 30 Ca 0.05 -0.58 0.05 0.00 -2.23 0.00 0.00 60.65 57.94 1m4j s ILE 30 Cb -0.14 -2.39 -0.06 0.00 -1.58 0.00 0.00 42.46 38.29 1m4j s ILE 30 CO 0.04 0.55 -0.00 -0.44 -1.23 0.00 0.00 174.94 173.86 1m4j s SER 31 N -0.12 2.38 -0.28 3.58 0.01 -0.22 -0.98 113.70 118.07 1m4j s SER 31 Ca -0.00 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 55.96 1m4j s SER 31 Cb -0.13 -0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.03 1m4j s SER 31 CO 0.03 -0.49 0.01 -0.63 0.41 0.00 0.00 173.24 172.57 1m4j s ILE 32 N -3.22 3.31 -0.11 1.44 1.01 -1.26 -0.90 121.20 121.47 1m4j s ILE 32 Ca 0.32 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1m4j s ILE 32 Cb 0.06 -2.74 0.03 0.00 0.01 0.00 0.00 42.46 39.82 1m4j s ILE 32 CO 0.12 0.09 -0.07 -0.70 0.00 0.00 0.00 174.94 174.38 1m4j s GLU 33 N 1.38 1.42 -1.17 2.79 2.12 -0.28 -4.83 118.70 120.12 1m4j s GLU 33 Ca 0.00 -0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 1m4j s GLU 33 Cb -0.17 -1.51 -0.02 0.00 0.26 0.00 0.00 34.13 32.68 1m4j s GLU 33 CO -0.01 -0.27 0.94 0.09 -0.54 0.00 0.00 175.26 175.47 1m4j n ASN 34 N 4.97 -3.21 -3.15 -1.70 3.02 -1.26 -2.65 115.26 111.28 1m4j n ASN 34 Ca -0.12 -0.68 -0.22 0.00 -0.03 0.00 0.00 54.58 53.53 1m4j n ASN 34 Cb 0.50 -4.98 0.02 0.00 -0.61 0.00 0.00 39.78 34.70 1m4j n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1m4j n GLU 35 N -3.92 -4.14 -3.82 3.52 -0.58 -1.26 -4.97 120.64 105.47 1m4j n GLU 35 Ca -0.23 0.71 -0.12 0.00 -0.42 0.00 0.00 57.16 57.09 1m4j n GLU 35 Cb 0.66 -5.49 -0.11 0.00 -0.57 0.00 0.00 31.44 25.92 1m4j n GLU 35 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1m4j s GLN 36 N -5.82 0.33 -0.16 3.49 0.74 -1.08 -2.19 119.66 114.97 1m4j s GLN 36 Ca 0.34 0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.55 1m4j s GLN 36 Cb -0.16 0.15 -0.01 0.00 1.10 0.00 0.00 33.01 34.08 1m4j s GLN 36 CO 0.41 -0.06 0.87 -0.51 -0.55 0.00 0.00 175.29 175.45 1m4j s LEU 37 N -0.39 4.19 0.11 3.68 1.43 -1.20 -1.13 118.68 125.37 1m4j s LEU 37 Ca -0.05 1.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.35 1m4j s LEU 37 Cb -0.03 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1m4j s LEU 37 CO 0.01 -0.41 -0.12 0.68 0.23 0.00 0.00 176.35 176.74 1m4j s VAL 38 N 2.12 1.15 -0.26 -1.59 -7.23 -0.08 -4.43 120.40 110.08 1m4j s VAL 38 Ca 0.40 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 1m4j s VAL 38 Cb -0.17 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 1m4j s VAL 38 CO 0.13 -0.47 0.46 -0.69 -0.31 0.00 0.00 175.10 174.22 1m4j s VAL 39 N -2.24 5.11 -0.22 1.32 1.01 -1.26 -1.06 120.40 123.07 1m4j s VAL 39 Ca 0.07 0.75 -0.16 0.00 0.00 0.00 0.00 61.98 62.64 1m4j s VAL 39 Cb -0.04 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.44 1m4j s VAL 39 CO 0.02 0.12 -0.15 0.61 0.00 0.00 0.00 175.10 175.70 1m4j n GLY 40 N 4.50 -0.66 3.16 4.51 0.00 0.23 -4.97 105.19 111.95 1m4j n GLY 40 Ca -0.06 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1m4j n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4j s SER 41 N -6.83 1.72 -0.02 1.61 0.15 -1.21 -4.99 113.70 104.13 1m4j s SER 41 Ca -0.31 -0.52 -0.13 0.00 0.70 0.00 0.00 55.95 55.69 1m4j s SER 41 Cb 0.09 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1m4j s SER 41 CO 0.48 -0.00 0.27 0.00 1.20 0.00 0.00 173.24 175.19 1m4j s SER 43 N -1.21 0.69 0.76 0.00 0.01 -0.49 -4.98 113.70 108.48 1m4j s SER 43 Ca -0.13 -0.09 -0.11 0.00 1.31 0.00 0.00 55.95 56.93 1m4j s SER 43 Cb -0.06 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 65.99 1m4j s SER 43 CO 0.03 -0.01 1.09 -2.84 0.41 0.00 0.00 173.24 171.92 1m4j s PRO 44 N 0.46 2.39 0.61 12.44 0.02 -1.26 0.59 135.00 150.25 1m4j s PRO 44 Ca -0.05 0.69 -0.17 0.00 0.02 0.00 0.00 61.00 61.49 1m4j s PRO 44 Cb -0.09 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1m4j s PRO 44 CO -0.00 -1.42 1.10 -2.14 -0.33 0.00 0.00 177.00 174.21 1m4j s PRO 45 N -5.16 3.10 0.05 5.54 0.02 -1.26 -4.37 135.00 132.92 1m4j s PRO 45 Ca 0.60 1.41 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1m4j s PRO 45 Cb -0.14 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1m4j s PRO 45 CO 0.54 -1.01 0.00 0.45 -0.33 0.00 0.00 177.00 176.65 1m4j n SER 46 N -1.96 0.30 0.00 2.53 2.88 -1.26 -4.98 113.62 111.12 1m4j n SER 46 Ca 0.10 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1m4j n SER 46 Cb 0.52 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1m4j n SER 46 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1m4j n ASP 47 N -2.86 0.00 -4.80 -3.46 8.00 -1.26 -5.11 116.55 107.06 1m4j n ASP 47 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1m4j n ASP 47 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.20 1m4j n ASP 47 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1m4j s SER 48 N 0.68 4.24 0.34 -2.24 1.04 -1.26 -4.80 113.70 111.70 1m4j s SER 48 Ca 0.00 1.21 0.01 0.00 0.48 0.00 0.00 55.95 57.66 1m4j s SER 48 Cb 0.00 -1.90 0.60 0.00 0.10 0.00 0.00 66.02 64.82 1m4j s SER 48 CO 0.00 -2.12 2.00 4.11 0.98 0.00 0.00 173.24 178.21 1m4j h TRP 49 N -1.19 0.85 -0.14 5.02 5.08 -1.94 -0.82 115.95 122.80 1m4j h TRP 49 Ca -0.48 0.02 -0.14 0.00 1.08 0.00 0.00 58.89 59.37 1m4j h TRP 49 Cb 1.29 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1m4j h TRP 49 CO 0.42 0.53 -0.53 0.93 -1.28 0.00 0.00 178.44 178.51 1m4j h GLU 50 N 0.91 0.39 -0.01 0.12 5.08 -1.96 -0.56 114.58 118.57 1m4j h GLU 50 Ca 0.25 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1m4j h GLU 50 Cb -0.09 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1m4j h GLU 50 CO -0.06 0.83 -0.68 1.96 -1.00 0.00 0.00 179.01 180.06 1m4j h GLN 51 N 0.31 0.04 0.03 2.33 4.20 -1.75 -3.26 115.11 117.01 1m4j h GLN 51 Ca 0.01 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.43 1m4j h GLN 51 Cb 1.03 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1m4j h GLN 51 CO 0.09 0.70 -1.30 -0.44 -0.67 0.00 0.00 178.83 177.22 1m4j h ASP 52 N 0.03 0.11 0.00 1.46 3.32 -1.01 -3.43 116.42 116.89 1m4j h ASP 52 Ca -0.01 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1m4j h ASP 52 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1m4j h ASP 52 CO 0.09 1.12 0.00 0.00 -1.72 0.00 0.00 179.24 178.73 1m4j n TYR 53 N -3.31 0.00 -0.22 4.55 9.36 -0.23 -1.45 117.16 125.86 1m4j n TYR 53 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 1m4j n TYR 53 Cb 0.99 -0.12 0.24 0.00 -0.63 0.00 0.00 39.34 39.83 1m4j n TYR 53 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1m4j h ASP 54 N 0.00 0.87 0.52 2.98 3.45 -1.84 0.82 116.42 123.22 1m4j h ASP 54 Ca 0.00 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 1m4j h ASP 54 Cb 0.00 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1m4j h ASP 54 CO 0.00 0.64 -0.32 0.77 -1.57 0.00 0.00 179.24 178.76 1m4j h SER 55 N 1.02 0.00 0.09 6.45 4.64 -1.81 -2.84 113.55 121.10 1m4j h SER 55 Ca 0.27 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.24 1m4j h SER 55 Cb -0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1m4j h SER 55 CO -0.06 0.32 -2.00 0.49 -0.87 0.00 0.00 176.83 174.71 1m4j n PHE 56 N -3.81 1.00 -0.02 4.77 3.01 -0.53 -4.59 117.46 117.30 1m4j n PHE 56 Ca -0.01 0.24 -0.05 0.00 1.01 0.00 0.00 57.45 58.63 1m4j n PHE 56 Cb 0.40 -1.13 -0.04 0.00 -0.01 0.00 0.00 39.48 38.70 1m4j n PHE 56 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1m4j h VAL 57 N -0.11 0.48 -0.71 -4.37 2.07 -0.91 -3.40 116.25 109.31 1m4j h VAL 57 Ca -0.45 -1.26 0.11 0.00 0.82 0.00 0.00 66.70 65.93 1m4j h VAL 57 Cb 1.91 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.48 1m4j h VAL 57 CO 0.01 0.15 0.31 -0.07 0.02 0.00 0.00 177.57 177.99 1m4j h LEU 58 N -1.00 0.36 -2.32 2.57 -0.00 -1.70 -2.40 115.31 110.83 1m4j h LEU 58 Ca -0.01 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1m4j h LEU 58 Cb 0.32 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1m4j h LEU 58 CO 0.01 0.19 -0.04 -0.65 -0.00 0.00 0.00 178.44 177.95 1m4j h PRO 59 N 0.51 0.00 -0.01 1.13 0.11 -1.78 -2.40 132.00 129.56 1m4j h PRO 59 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1m4j h PRO 59 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1m4j h PRO 59 CO -0.32 0.04 -0.12 1.28 -0.21 0.00 0.00 178.00 178.67 1m4j n LEU 60 N -3.74 0.67 -4.43 2.35 4.77 -0.90 -4.75 117.00 110.96 1m4j n LEU 60 Ca -0.03 -0.11 -0.44 0.00 -0.03 0.00 0.00 56.01 55.41 1m4j n LEU 60 Cb 0.13 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1m4j n LEU 60 CO 0.28 0.12 0.59 -0.76 -1.33 0.00 0.00 177.39 176.29 1m4j s LEU 61 N -2.38 4.77 0.41 2.23 1.43 -0.91 -5.03 118.68 119.19 1m4j s LEU 61 Ca 0.31 -1.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.06 1m4j s LEU 61 Cb 0.20 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 1m4j s LEU 61 CO 0.46 -1.26 1.25 -1.61 0.23 0.00 0.00 176.35 175.42 1m4j s GLU 62 N 3.44 3.98 0.42 1.70 2.02 -1.26 -4.95 118.70 124.06 1m4j s GLU 62 Ca 0.18 2.04 0.11 0.00 0.02 0.00 0.00 54.97 57.32 1m4j s GLU 62 Cb -0.19 -2.72 0.90 0.00 0.10 0.00 0.00 34.13 32.22 1m4j s GLU 62 CO 0.10 -0.44 1.99 -0.44 0.02 0.00 0.00 175.26 176.49 1m4j h ASP 63 N 2.65 0.21 -0.16 -0.19 3.32 -1.99 -3.25 116.42 117.01 1m4j h ASP 63 Ca -0.49 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.36 1m4j h ASP 63 Cb 1.24 -0.05 -0.26 0.00 0.22 0.00 0.00 39.33 40.48 1m4j h ASP 63 CO 0.62 0.29 -0.83 0.29 -1.72 0.00 0.00 179.24 177.89 1m4j n LYS 64 N -4.36 1.27 -3.66 3.56 5.02 -1.26 -4.35 118.16 114.37 1m4j n LYS 64 Ca -0.01 -2.95 -0.14 0.00 -2.02 0.00 0.00 58.31 53.19 1m4j n LYS 64 Cb 0.20 -1.09 -0.14 0.00 -0.02 0.00 0.00 35.03 33.98 1m4j n LYS 64 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1m4j s GLN 65 N -2.14 0.12 0.90 1.97 2.00 -1.23 -4.26 119.66 117.02 1m4j s GLN 65 Ca 0.37 0.71 -0.12 0.00 -2.00 0.00 0.00 55.36 54.32 1m4j s GLN 65 Cb 0.38 -0.09 0.13 0.00 0.80 0.00 0.00 33.01 34.23 1m4j s GLN 65 CO -0.09 -0.29 1.09 -2.14 -0.50 0.00 0.00 175.29 173.36 1m4j s PRO 66 N 2.38 1.25 0.12 1.67 0.02 -1.26 -4.31 135.00 134.88 1m4j s PRO 66 Ca 0.02 0.78 -0.25 0.00 0.02 0.00 0.00 61.00 61.57 1m4j s PRO 66 Cb -0.12 -1.81 0.08 0.00 0.02 0.00 0.00 34.50 32.67 1m4j s PRO 66 CO -0.08 -2.23 1.09 0.00 -0.33 0.00 0.00 177.00 175.45 1m4j s TYR 68 N -2.48 1.85 -0.09 0.00 1.51 -0.15 -1.32 117.35 116.67 1m4j s TYR 68 Ca 0.19 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1m4j s TYR 68 Cb -0.01 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1m4j s TYR 68 CO 0.02 0.05 -0.11 0.08 -1.11 0.00 0.00 175.55 174.49 1m4j s VAL 69 N -0.70 1.13 -0.32 0.71 1.01 -0.11 -0.29 120.40 121.82 1m4j s VAL 69 Ca 0.08 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 1m4j s VAL 69 Cb -0.09 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1m4j s VAL 69 CO 0.01 0.37 0.16 -0.76 0.00 0.00 0.00 175.10 174.87 1m4j s LEU 70 N 1.09 4.23 -0.19 3.92 1.43 0.11 -0.47 118.68 128.81 1m4j s LEU 70 Ca -0.06 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 1m4j s LEU 70 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1m4j s LEU 70 CO -0.01 -0.24 -0.09 0.12 0.23 0.00 0.00 176.35 176.36 1m4j s PHE 71 N 1.58 2.90 -0.01 0.29 5.36 -0.35 -1.24 117.98 126.50 1m4j s PHE 71 Ca 0.04 -0.91 -0.25 0.00 -0.96 0.00 0.00 56.93 54.84 1m4j s PHE 71 Cb -0.18 -2.00 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 1m4j s PHE 71 CO 0.06 -0.46 0.79 0.50 -1.46 0.00 0.00 175.22 174.65 1m4j s ARG 72 N 1.07 4.49 0.80 10.12 3.52 0.47 -0.24 118.95 139.19 1m4j s ARG 72 Ca 0.00 1.07 -0.06 0.00 -0.13 0.00 0.00 55.73 56.61 1m4j s ARG 72 Cb -0.15 -3.42 0.15 0.00 -1.56 0.00 0.00 34.95 29.97 1m4j s ARG 72 CO -0.02 0.11 1.11 -0.51 -0.81 0.00 0.00 175.30 175.18 1m4j s LEU 73 N 0.57 2.88 0.06 -0.88 1.43 -0.22 -4.85 118.68 117.66 1m4j s LEU 73 Ca 0.41 -0.10 0.23 0.00 -1.03 0.00 0.00 54.13 53.64 1m4j s LEU 73 Cb -0.19 -2.15 0.04 0.00 0.03 0.00 0.00 46.19 43.91 1m4j s LEU 73 CO 0.22 -2.15 1.01 0.47 0.23 0.00 0.00 176.35 176.13 1m4j n ASP 74 N -3.17 0.61 -4.89 2.29 8.00 -1.26 -4.65 116.55 113.48 1m4j n ASP 74 Ca 0.15 -0.16 -0.29 0.00 0.71 0.00 0.00 54.79 55.19 1m4j n ASP 74 Cb 0.60 0.80 0.02 0.00 -0.02 0.00 0.00 41.12 42.52 1m4j n ASP 74 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1m4j s SER 75 N -4.05 6.00 0.08 -2.24 1.04 -1.26 -4.96 113.70 108.31 1m4j s SER 75 Ca 0.03 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.64 1m4j s SER 75 Cb 0.14 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.01 1m4j s SER 75 CO 0.80 -0.92 -0.08 -1.10 0.98 0.00 0.00 173.24 172.92 1m4j s GLN 76 N -5.09 0.74 0.00 4.02 -0.21 -1.26 -1.44 119.66 116.42 1m4j s GLN 76 Ca 0.54 -1.10 0.00 0.00 0.02 0.00 0.00 55.36 54.82 1m4j s GLN 76 Cb -0.11 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1m4j s GLN 76 CO 0.50 0.03 0.00 0.27 -2.12 0.00 0.00 175.29 173.98 1m4j n ASN 77 N 0.61 1.62 0.34 5.90 0.23 0.59 -4.87 115.26 119.67 1m4j n ASN 77 Ca -0.17 -0.94 0.22 0.00 -0.53 0.00 0.00 54.58 53.17 1m4j n ASN 77 Cb 0.58 0.00 1.19 0.00 -2.08 0.00 0.00 39.78 39.47 1m4j n ASN 77 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1m4j h ALA 78 N 0.89 1.03 -0.17 -2.53 0.00 -1.99 -1.84 119.26 114.65 1m4j h ALA 78 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1m4j h ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1m4j h ALA 78 CO 0.00 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1m4j n GLN 79 N -3.08 2.25 0.00 0.00 6.02 -1.26 -5.09 117.38 116.22 1m4j n GLN 79 Ca -0.03 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1m4j n GLN 79 Cb 0.09 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.90 1m4j n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1m4j n GLY 80 N 1.32 0.38 3.64 1.08 0.00 -0.69 -5.00 105.19 105.92 1m4j n GLY 80 Ca 0.15 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1m4j n GLY 80 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1m4j n TYR 81 N 0.00 1.56 -3.54 1.61 4.02 -1.26 -0.30 117.16 119.25 1m4j n TYR 81 Ca 0.00 0.55 -0.32 0.00 -0.01 0.00 0.00 57.90 58.12 1m4j n TYR 81 Cb 0.00 -2.29 -0.05 0.00 -0.02 0.00 0.00 39.34 36.98 1m4j n TYR 81 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1m4j s GLU 82 N -2.03 3.72 0.16 -0.72 2.02 -0.52 -4.75 118.70 116.58 1m4j s GLU 82 Ca 0.62 0.11 0.07 0.00 0.02 0.00 0.00 54.97 55.78 1m4j s GLU 82 Cb -0.56 -2.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 1m4j s GLU 82 CO 0.58 0.41 -0.14 -1.58 0.02 0.00 0.00 175.26 174.55 1m4j s TRP 83 N -1.71 1.53 -0.17 1.61 0.52 0.62 -1.06 118.94 120.29 1m4j s TRP 83 Ca 0.43 -0.59 -0.06 0.00 0.02 0.00 0.00 56.10 55.90 1m4j s TRP 83 Cb -0.12 -0.76 -0.04 0.00 -1.15 0.00 0.00 33.47 31.41 1m4j s TRP 83 CO 0.22 0.23 0.02 0.42 0.02 0.00 0.00 176.95 177.87 1m4j s ILE 84 N -2.65 4.44 -0.37 2.03 1.01 0.66 -0.72 121.20 125.60 1m4j s ILE 84 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 1m4j s ILE 84 Cb -0.02 -2.97 0.05 0.00 0.01 0.00 0.00 42.46 39.52 1m4j s ILE 84 CO 0.04 0.48 0.17 0.12 0.00 0.00 0.00 174.94 175.76 1m4j s PHE 85 N 0.30 3.29 -0.24 3.97 5.99 0.19 -1.21 117.98 130.27 1m4j s PHE 85 Ca 0.01 -1.39 -0.10 0.00 0.00 0.00 0.00 56.93 55.45 1m4j s PHE 85 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 43.02 40.31 1m4j s PHE 85 CO 0.01 -0.75 0.14 0.42 -0.00 0.00 0.00 175.22 175.04 1m4j s ILE 86 N 1.43 5.17 -0.36 3.12 1.01 0.38 -0.89 121.20 131.06 1m4j s ILE 86 Ca 0.01 0.12 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 1m4j s ILE 86 Cb -0.21 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1m4j s ILE 86 CO 0.03 0.35 0.17 0.00 0.00 0.00 0.00 174.94 175.48 1m4j s ALA 87 N 1.13 3.19 -0.24 9.38 0.00 0.43 -0.94 121.76 134.72 1m4j s ALA 87 Ca 0.07 -1.73 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 1m4j s ALA 87 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1m4j s ALA 87 CO 0.05 -1.37 0.11 -0.46 0.00 0.00 0.00 175.76 174.09 1m4j s TRP 88 N 1.50 3.19 -0.40 0.00 -0.11 -0.44 -1.24 118.94 121.45 1m4j s TRP 88 Ca 0.01 -0.07 0.04 0.00 1.22 0.00 0.00 56.10 57.29 1m4j s TRP 88 Cb -0.19 -2.23 0.16 0.00 -1.50 0.00 0.00 33.47 29.71 1m4j s TRP 88 CO 0.05 -0.11 0.40 -1.12 -4.62 0.00 0.00 176.95 171.55 1m4j s SER 89 N 1.23 1.03 0.74 5.86 0.01 -0.43 -1.25 113.70 120.89 1m4j s SER 89 Ca 0.06 -2.01 -0.15 0.00 1.31 0.00 0.00 55.95 55.15 1m4j s SER 89 Cb -0.14 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.52 1m4j s SER 89 CO 0.05 -0.21 0.98 -2.65 0.41 0.00 0.00 173.24 171.81 1m4j n PRO 90 N 3.72 0.45 0.20 12.44 -0.02 -1.26 -4.35 135.00 146.17 1m4j n PRO 90 Ca 0.17 0.21 0.06 0.00 -2.02 0.00 0.00 63.50 61.92 1m4j n PRO 90 Cb 0.46 -2.24 0.40 0.00 -0.02 0.00 0.00 33.50 32.10 1m4j n PRO 90 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1m4j h ASP 91 N -0.37 0.00 -0.28 2.55 3.32 -1.84 -2.82 116.42 116.98 1m4j h ASP 91 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1m4j h ASP 91 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1m4j h ASP 91 CO 0.46 0.34 0.00 1.41 -1.72 0.00 0.00 179.24 179.74 1m4j n HIS 92 N -3.69 0.63 -2.73 4.55 8.25 -1.26 -4.89 115.22 116.08 1m4j n HIS 92 Ca -0.01 -0.25 -0.28 0.00 -0.26 0.00 0.00 57.72 56.92 1m4j n HIS 92 Cb 0.44 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1m4j n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1m4j s SER 93 N -0.68 6.36 0.29 0.41 0.01 -1.07 -4.63 113.70 114.39 1m4j s SER 93 Ca 0.22 1.00 -0.29 0.00 1.31 0.00 0.00 55.95 58.18 1m4j s SER 93 Cb 0.14 -2.27 -0.10 0.00 0.21 0.00 0.00 66.02 64.00 1m4j s SER 93 CO 0.11 -0.51 1.25 -2.28 0.41 0.00 0.00 173.24 172.22 1m4j s HIS 94 N -2.59 3.24 0.30 2.43 5.65 -1.26 -4.86 115.29 118.19 1m4j s HIS 94 Ca 0.49 1.45 0.05 0.00 0.25 0.00 0.00 55.06 57.30 1m4j s HIS 94 Cb -0.10 -3.56 0.75 0.00 -1.18 0.00 0.00 32.58 28.49 1m4j s HIS 94 CO 0.40 -1.51 1.74 -0.39 -0.65 0.00 0.00 174.74 174.33 1m4j h VAL 95 N 3.20 0.61 -0.56 0.89 -1.51 -1.95 0.12 116.25 117.04 1m4j h VAL 95 Ca -0.47 -0.21 0.03 0.00 -1.23 0.00 0.00 66.70 64.81 1m4j h VAL 95 Cb 1.22 -0.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.29 1m4j h VAL 95 CO 0.68 0.11 0.34 -0.09 -1.23 0.00 0.00 177.57 177.38 1m4j h ARG 96 N 0.61 0.65 -0.45 5.19 9.65 -1.99 -0.83 114.38 127.20 1m4j h ARG 96 Ca 0.58 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.40 1m4j h ARG 96 Cb 1.00 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.41 1m4j h ARG 96 CO -0.44 0.43 0.20 1.96 2.80 0.00 0.00 179.97 184.92 1m4j h GLN 97 N 0.67 0.66 -0.62 0.20 1.08 -1.18 -0.13 115.11 115.79 1m4j h GLN 97 Ca 0.23 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1m4j h GLN 97 Cb 0.03 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1m4j h GLN 97 CO -0.10 0.58 0.37 0.87 -0.95 0.00 0.00 178.83 179.60 1m4j h LYS 98 N 0.59 0.71 -0.34 1.46 1.57 -0.74 -1.15 116.57 118.66 1m4j h LYS 98 Ca 0.15 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1m4j h LYS 98 Cb 0.15 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1m4j h LYS 98 CO -0.02 0.47 0.06 0.52 -0.57 0.00 0.00 179.45 179.91 1m4j h MET 99 N 0.73 0.55 -0.17 3.15 2.86 -0.86 -2.04 114.93 119.14 1m4j h MET 99 Ca 0.25 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1m4j h MET 99 Cb 0.05 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1m4j h MET 99 CO -0.11 0.63 0.06 1.25 1.06 0.00 0.00 176.91 179.80 1m4j h LEU 100 N 0.39 0.08 -0.65 1.22 5.85 -0.66 -0.97 115.31 120.56 1m4j h LEU 100 Ca 0.10 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1m4j h LEU 100 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1m4j h LEU 100 CO 0.01 0.07 -0.40 1.88 -0.34 0.00 0.00 178.44 179.65 1m4j h TYR 101 N 0.15 0.71 -0.28 1.25 -1.99 -1.23 -2.04 116.97 113.54 1m4j h TYR 101 Ca 0.07 -0.20 -0.12 0.00 2.00 0.00 0.00 58.73 60.48 1m4j h TYR 101 Cb 0.04 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1m4j h TYR 101 CO -0.11 0.90 -0.34 0.00 -0.00 0.00 0.00 178.16 178.61 1m4j h ALA 102 N 1.07 0.89 0.00 3.88 0.00 -1.18 -2.02 119.26 121.90 1m4j h ALA 102 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1m4j h ALA 102 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1m4j h ALA 102 CO 0.08 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.95 1m4j h ALA 103 N 1.12 1.00 -0.00 0.00 0.00 -1.07 -3.25 119.26 117.06 1m4j h ALA 103 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1m4j h ALA 103 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1m4j h ALA 103 CO 0.07 0.01 -0.90 2.41 0.00 0.00 0.00 179.25 180.83 1m4j n THR 104 N -3.10 0.00 -0.08 0.00 -1.04 -0.78 -4.57 114.28 104.72 1m4j n THR 104 Ca 0.03 -0.05 -0.07 0.00 -2.04 0.00 0.00 64.05 61.92 1m4j n THR 104 Cb 0.46 1.04 -0.01 0.00 -1.82 0.00 0.00 70.33 70.00 1m4j n THR 104 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1m4j h ARG 105 N 0.34 -0.00 -0.73 -2.82 2.43 -1.40 -1.91 114.38 110.30 1m4j h ARG 105 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1m4j h ARG 105 Cb 0.52 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1m4j h ARG 105 CO 0.00 -0.00 0.48 0.00 -1.51 0.00 0.00 179.97 178.94 1m4j h ALA 106 N 1.29 1.49 -0.47 2.80 0.00 -1.81 -2.07 119.26 120.49 1m4j h ALA 106 Ca 0.14 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1m4j h ALA 106 Cb 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1m4j h ALA 106 CO -0.30 0.48 0.11 1.15 0.00 0.00 0.00 179.25 180.69 1m4j h THR 107 N 0.98 1.24 -0.61 0.00 2.02 -1.65 -2.24 112.91 112.64 1m4j h THR 107 Ca 0.27 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1m4j h THR 107 Cb -0.11 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1m4j h THR 107 CO -0.06 0.30 0.38 0.25 0.37 0.00 0.00 175.52 176.76 1m4j h LEU 108 N 0.63 0.72 -0.49 2.58 5.85 -0.88 0.05 115.31 123.77 1m4j h LEU 108 Ca 0.15 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1m4j h LEU 108 Cb 0.33 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1m4j h LEU 108 CO 0.00 0.56 0.22 0.50 -0.34 0.00 0.00 178.44 179.37 1m4j h LYS 109 N 0.82 0.41 -0.52 1.25 3.64 -1.19 -0.32 116.57 120.67 1m4j h LYS 109 Ca 0.22 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1m4j h LYS 109 Cb -0.04 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1m4j h LYS 109 CO -0.04 0.27 0.15 -0.22 -2.27 0.00 0.00 179.45 177.34 1m4j h LYS 110 N 0.42 0.82 -0.29 1.90 3.64 -0.90 0.16 116.57 122.32 1m4j h LYS 110 Ca 0.22 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1m4j h LYS 110 Cb 0.18 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1m4j h LYS 110 CO -0.19 0.77 -0.00 0.93 -2.27 0.00 0.00 179.45 178.68 1m4j h GLU 111 N 0.72 0.44 0.03 1.90 4.39 -0.43 -2.85 114.58 118.77 1m4j h GLU 111 Ca 0.17 -0.08 -0.27 0.00 0.34 0.00 0.00 59.36 59.52 1m4j h GLU 111 Cb 0.30 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1m4j h GLU 111 CO -0.00 0.47 -1.43 0.35 -1.16 0.00 0.00 179.01 177.24 1m4j h PHE 112 N 0.42 0.11 0.00 4.33 3.57 -0.85 -3.50 116.94 121.02 1m4j h PHE 112 Ca 0.09 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1m4j h PHE 112 Cb 0.28 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1m4j h PHE 112 CO 0.01 1.10 0.00 0.41 -2.23 0.00 0.00 178.31 177.60 1m4j n GLY 113 N 1.52 1.57 0.36 2.40 0.00 0.54 -4.87 105.19 106.71 1m4j n GLY 113 Ca -0.11 -0.75 0.19 0.00 0.00 0.00 0.00 46.02 45.34 1m4j n GLY 113 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1m4j h GLY 114 N 0.00 0.00 2.00 -0.02 0.00 -1.71 -0.73 103.07 102.60 1m4j h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m4j h GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1m4j n GLY 115 N -1.56 -1.09 0.26 4.60 0.00 -1.26 -1.79 105.19 104.35 1m4j n GLY 115 Ca 0.07 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1m4j n GLY 115 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1m4j n HIS 116 N -2.20 0.00 -3.25 1.61 -0.00 -0.28 -4.83 115.22 106.27 1m4j n HIS 116 Ca 0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.31 1m4j n HIS 116 Cb 0.15 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.99 30.03 1m4j n HIS 116 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1m4j s ILE 117 N -2.71 5.00 -0.10 1.59 -1.09 -0.74 -0.28 121.20 122.88 1m4j s ILE 117 Ca 0.15 0.06 -0.16 0.00 -2.23 0.00 0.00 60.65 58.47 1m4j s ILE 117 Cb 0.17 -4.03 -0.27 0.00 -1.58 0.00 0.00 42.46 36.75 1m4j s ILE 117 CO 0.69 -0.36 0.56 0.50 -1.23 0.00 0.00 174.94 175.10 1m4j h LYS 118 N 8.64 0.24 -5.06 2.79 3.64 -1.21 -3.47 116.57 122.13 1m4j h LYS 118 Ca -0.27 -0.41 -0.40 0.00 -1.27 0.00 0.00 60.65 58.30 1m4j h LYS 118 Cb 1.12 0.15 -0.25 0.00 -0.41 0.00 0.00 32.23 32.84 1m4j h LYS 118 CO 0.80 1.20 -0.78 -0.51 -2.27 0.00 0.00 179.45 177.89 1m4j s ASP 119 N -7.02 1.39 -0.14 4.20 1.01 -1.16 -5.06 116.67 109.89 1m4j s ASP 119 Ca -0.20 -0.42 0.01 0.00 0.71 0.00 0.00 52.55 52.65 1m4j s ASP 119 Cb 0.04 -0.08 0.02 0.00 1.01 0.00 0.00 42.92 43.91 1m4j s ASP 119 CO 0.76 -0.00 -0.18 -1.61 0.21 0.00 0.00 175.17 174.36 1m4j s GLU 120 N -1.07 2.62 0.06 8.23 2.02 -1.26 -0.64 118.70 128.66 1m4j s GLU 120 Ca -0.00 -0.70 0.07 0.00 0.02 0.00 0.00 54.97 54.36 1m4j s GLU 120 Cb -0.07 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 1m4j s GLU 120 CO 0.01 -0.12 -0.20 0.08 0.02 0.00 0.00 175.26 175.05 1m4j s VAL 121 N 1.13 1.58 0.09 2.63 1.01 -0.07 -4.97 120.40 121.80 1m4j s VAL 121 Ca -0.01 -1.25 0.09 0.00 0.00 0.00 0.00 61.98 60.80 1m4j s VAL 121 Cb -0.14 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1m4j s VAL 121 CO -0.06 0.10 -0.24 0.12 0.00 0.00 0.00 175.10 175.01 1m4j s PHE 122 N -0.91 2.11 -0.03 5.22 5.36 -1.26 -0.42 117.98 128.05 1m4j s PHE 122 Ca 0.06 -0.40 -0.27 0.00 -0.96 0.00 0.00 56.93 55.37 1m4j s PHE 122 Cb -0.09 -1.19 0.06 0.00 -0.34 0.00 0.00 43.02 41.46 1m4j s PHE 122 CO 0.02 0.22 0.59 0.20 -1.46 0.00 0.00 175.22 174.79 1m4j s GLY 123 N -1.69 -0.48 0.00 13.12 0.00 -0.37 -4.76 107.32 113.14 1m4j s GLY 123 Ca 0.11 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1m4j s GLY 123 CO 0.04 0.73 0.00 -1.30 0.00 0.00 0.00 173.10 172.57 1m4j n THR 124 N 0.94 0.00 -4.08 0.90 -2.24 -1.26 -1.31 114.28 107.22 1m4j n THR 124 Ca -0.19 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1m4j n THR 124 Cb 0.57 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1m4j n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1m4j s VAL 125 N -0.99 0.62 0.40 2.28 -7.23 -1.26 -3.94 120.40 110.27 1m4j s VAL 125 Ca 0.00 -1.19 0.12 0.00 -1.81 0.00 0.00 61.98 59.10 1m4j s VAL 125 Cb 0.00 -0.77 0.34 0.00 0.56 0.00 0.00 36.38 36.51 1m4j s VAL 125 CO 0.00 -0.41 1.91 0.11 -0.31 0.00 0.00 175.10 176.40 1m4j h LYS 126 N 4.32 0.52 -0.11 4.82 1.57 -1.98 -0.77 116.57 124.93 1m4j h LYS 126 Ca -0.36 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1m4j h LYS 126 Cb 1.20 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1m4j h LYS 126 CO 0.43 0.34 0.13 1.49 -0.57 0.00 0.00 179.45 181.27 1m4j h GLU 127 N 0.53 0.00 0.00 3.15 4.81 -1.97 -0.47 114.58 120.63 1m4j h GLU 127 Ca 0.38 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 1m4j h GLU 127 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1m4j h GLU 127 CO -0.14 0.00 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.26 1m4j h ASP 128 N 0.00 0.00 0.00 1.04 3.32 -1.49 -3.35 116.42 115.94 1m4j h ASP 128 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1m4j h ASP 128 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1m4j h ASP 128 CO -0.00 0.44 -0.06 1.33 -1.72 0.00 0.00 179.24 179.23 1m4j n VAL 129 N -3.45 0.92 -1.28 -1.35 0.24 -0.32 -4.40 118.33 108.68 1m4j n VAL 129 Ca 0.00 -1.02 -0.30 0.00 -2.04 0.00 0.00 64.34 60.99 1m4j n VAL 129 Cb 0.59 0.40 0.21 0.00 -1.47 0.00 0.00 33.84 33.57 1m4j n VAL 129 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1m4j s SER 130 N -1.30 1.74 0.22 -1.34 1.04 -0.41 -4.68 113.70 108.97 1m4j s SER 130 Ca 0.08 0.66 -0.09 0.00 0.48 0.00 0.00 55.95 57.09 1m4j s SER 130 Cb 0.07 -0.95 0.17 0.00 0.10 0.00 0.00 66.02 65.42 1m4j s SER 130 CO 0.01 -3.62 1.85 0.25 0.98 0.00 0.00 173.24 172.70 1m4j h LEU 131 N -2.24 1.01 -0.54 2.42 5.85 -1.93 0.46 115.31 120.34 1m4j h LEU 131 Ca -0.47 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1m4j h LEU 131 Cb 1.29 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1m4j h LEU 131 CO 0.40 0.80 0.25 -0.74 -0.34 0.00 0.00 178.44 178.81 1m4j h HIS 132 N 1.13 0.79 -0.85 1.25 2.76 -1.92 -0.80 115.15 117.51 1m4j h HIS 132 Ca 0.29 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1m4j h HIS 132 Cb 0.00 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.68 1m4j h HIS 132 CO 0.00 0.62 0.49 0.78 -1.30 0.00 0.00 177.93 178.53 1m4j h GLY 133 N 0.73 1.25 0.95 5.26 0.00 -1.49 -0.84 103.07 108.94 1m4j h GLY 133 Ca 0.18 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1m4j h GLY 133 CO -0.02 0.52 -0.04 -1.82 0.00 0.00 0.00 176.54 175.18 1m4j h TYR 134 N 1.18 0.79 -0.75 5.60 3.20 -0.52 -0.76 116.97 125.72 1m4j h TYR 134 Ca 0.30 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1m4j h TYR 134 Cb -0.01 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.02 1m4j h TYR 134 CO 0.01 0.82 0.23 0.87 -1.64 0.00 0.00 178.16 178.45 1m4j h LYS 135 N 0.53 1.17 -0.52 1.82 1.79 -0.83 -0.99 116.57 119.54 1m4j h LYS 135 Ca 0.11 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.24 1m4j h LYS 135 Cb 0.53 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1m4j h LYS 135 CO 0.03 0.99 -0.03 -0.22 -1.08 0.00 0.00 179.45 179.14 1m4j h LYS 136 N 1.12 0.90 -0.53 3.15 3.64 -1.04 -2.50 116.57 121.31 1m4j h LYS 136 Ca 0.24 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1m4j h LYS 136 Cb 0.31 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1m4j h LYS 136 CO -0.01 0.91 0.32 -0.92 -2.27 0.00 0.00 179.45 177.48 1m4j h TYR 137 N 0.83 0.70 -0.49 1.91 3.20 -0.61 -2.24 116.97 120.26 1m4j h TYR 137 Ca 0.15 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.07 1m4j h TYR 137 Cb 0.53 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1m4j h TYR 137 CO 0.03 0.49 0.33 -0.07 -1.64 0.00 0.00 178.16 177.30 1m4j h LEU 138 N 0.71 0.40 0.00 2.82 3.38 -0.78 -3.51 115.31 118.32 1m4j h LEU 138 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1m4j h LEU 138 Cb -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1m4j h LEU 138 CO -0.03 0.26 0.00 0.18 0.09 0.00 0.00 178.44 178.94