#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4c n GLY 12 N 0.00 -3.60 3.75 -0.02 0.00 -1.26 -4.93 105.19 99.13 1r4c n GLY 12 Ca 0.00 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 1r4c n GLY 12 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1r4c s PRO 13 N -3.64 3.20 0.44 1.61 0.02 -1.26 -4.97 135.00 130.39 1r4c s PRO 13 Ca 0.20 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.47 1r4c s PRO 13 Cb -0.03 -2.27 0.01 0.00 0.02 0.00 0.00 34.50 32.22 1r4c s PRO 13 CO 0.17 -1.13 0.62 0.00 -0.33 0.00 0.00 177.00 176.32 1r4c s MET 14 N -2.88 2.88 0.72 5.54 0.23 0.17 -4.83 119.30 121.13 1r4c s MET 14 Ca 0.71 -0.90 -0.13 0.00 -1.03 0.00 0.00 55.69 54.34 1r4c s MET 14 Cb -0.39 -2.66 0.03 0.00 -1.53 0.00 0.00 34.83 30.27 1r4c s MET 14 CO 0.47 -0.30 1.10 -0.51 -2.03 0.00 0.00 175.02 173.75 1r4c s ASP 15 N -4.30 4.76 0.33 -1.18 -0.00 -1.26 -0.23 116.67 114.80 1r4c s ASP 15 Ca 0.52 1.92 -0.13 0.00 -0.00 0.00 0.00 52.55 54.85 1r4c s ASP 15 Cb -0.10 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.31 1r4c s ASP 15 CO 0.35 -1.86 0.65 0.00 -0.00 0.00 0.00 175.17 174.31 1r4c s ALA 16 N -2.61 -0.42 0.13 5.23 0.00 -0.62 -4.54 121.76 118.91 1r4c s ALA 16 Ca 0.64 -0.85 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 1r4c s ALA 16 Cb -0.19 0.88 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1r4c s ALA 16 CO 0.49 -0.93 0.41 -1.54 0.00 0.00 0.00 175.76 174.19 1r4c s SER 17 N -3.07 -0.25 0.56 0.00 1.04 -1.26 -4.50 113.70 106.23 1r4c s SER 17 Ca 0.19 -0.29 0.26 0.00 0.48 0.00 0.00 55.95 56.59 1r4c s SER 17 Cb -0.04 0.48 1.53 0.00 0.10 0.00 0.00 66.02 68.09 1r4c s SER 17 CO 0.12 -0.85 2.07 -0.37 0.98 0.00 0.00 173.24 175.19 1r4c h VAL 18 N 2.36 0.61 0.00 5.02 -1.51 -1.96 0.19 116.25 120.96 1r4c h VAL 18 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1r4c h VAL 18 Cb 1.26 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 1r4c h VAL 18 CO 0.46 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.18 1r4c n GLU 19 N -4.05 0.29 -5.09 5.19 1.02 -1.26 -4.53 120.64 112.21 1r4c n GLU 19 Ca 0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1r4c n GLU 19 Cb 0.37 -1.09 -0.16 0.00 -0.02 0.00 0.00 31.44 30.54 1r4c n GLU 19 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1r4c s GLU 20 N -1.39 2.06 0.17 3.49 2.02 0.66 -5.07 118.70 120.64 1r4c s GLU 20 Ca 0.00 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.06 1r4c s GLU 20 Cb 0.00 -1.84 0.08 0.00 0.10 0.00 0.00 34.13 32.47 1r4c s GLU 20 CO 0.00 0.38 1.81 1.49 0.02 0.00 0.00 175.26 178.96 1r4c h GLU 21 N 5.94 0.56 -0.72 1.61 4.81 -1.86 -1.29 114.58 123.63 1r4c h GLU 21 Ca -0.35 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1r4c h GLU 21 Cb 1.16 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1r4c h GLU 21 CO 0.47 0.37 0.29 0.78 -0.73 0.00 0.00 179.01 180.19 1r4c h GLY 22 N 0.58 1.14 0.88 1.92 0.00 -1.95 -2.21 103.07 103.42 1r4c h GLY 22 Ca 0.19 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1r4c h GLY 22 CO -0.09 0.57 -0.13 -2.08 0.00 0.00 0.00 176.54 174.81 1r4c h VAL 23 N 1.04 1.30 -0.69 4.60 2.07 -1.73 -0.83 116.25 122.01 1r4c h VAL 23 Ca 0.24 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 1r4c h VAL 23 Cb 0.19 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1r4c h VAL 23 CO -0.02 0.38 0.24 -0.09 0.02 0.00 0.00 177.57 178.11 1r4c h ARG 24 N 0.29 1.05 -0.42 1.57 2.43 -1.17 0.14 114.38 118.27 1r4c h ARG 24 Ca 0.06 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 1r4c h ARG 24 Cb 0.64 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1r4c h ARG 24 CO 0.04 0.89 0.05 -0.09 -1.51 0.00 0.00 179.97 179.35 1r4c h ARG 25 N 1.00 0.72 -0.35 0.20 2.43 -1.34 -0.06 114.38 116.98 1r4c h ARG 25 Ca 0.23 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1r4c h ARG 25 Cb 0.26 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1r4c h ARG 25 CO -0.01 0.77 -0.02 0.00 -1.51 0.00 0.00 179.97 179.19 1r4c h ALA 26 N 0.92 1.32 -0.13 2.80 0.00 -0.82 -1.17 119.26 122.18 1r4c h ALA 26 Ca 0.13 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1r4c h ALA 26 Cb 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1r4c h ALA 26 CO 0.01 0.46 -0.14 1.25 0.00 0.00 0.00 179.25 180.83 1r4c h LEU 27 N 0.52 0.35 -0.82 0.00 5.85 -0.34 -0.46 115.31 120.41 1r4c h LEU 27 Ca 0.11 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1r4c h LEU 27 Cb 0.37 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1r4c h LEU 27 CO 0.01 0.77 0.52 0.44 -0.34 0.00 0.00 178.44 179.84 1r4c h ASP 28 N -0.06 0.84 -0.19 1.25 3.32 -0.91 0.28 116.42 120.95 1r4c h ASP 28 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1r4c h ASP 28 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1r4c h ASP 28 CO 0.04 0.56 0.09 0.15 -1.72 0.00 0.00 179.24 178.36 1r4c h PHE 29 N 0.98 0.27 -0.25 4.55 3.57 -1.06 -0.43 116.94 124.58 1r4c h PHE 29 Ca 0.34 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1r4c h PHE 29 Cb 0.07 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1r4c h PHE 29 CO -0.03 0.29 0.14 0.00 -2.23 0.00 0.00 178.31 176.48 1r4c h ALA 30 N 0.96 0.31 -0.55 2.41 0.00 -0.42 -0.77 119.26 121.20 1r4c h ALA 30 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1r4c h ALA 30 Cb 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1r4c h ALA 30 CO -0.01 -0.25 0.34 0.28 0.00 0.00 0.00 179.25 179.61 1r4c h VAL 31 N 0.29 1.15 -0.93 0.00 2.07 -0.90 0.24 116.25 118.18 1r4c h VAL 31 Ca 0.10 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1r4c h VAL 31 Cb 0.00 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1r4c h VAL 31 CO -0.05 0.16 0.59 1.23 0.02 0.00 0.00 177.57 179.51 1r4c h GLY 32 N 0.74 1.40 1.39 2.17 0.00 -0.74 0.23 103.07 108.27 1r4c h GLY 32 Ca 0.20 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.91 1r4c h GLY 32 CO -0.04 0.30 -0.65 -2.09 0.00 0.00 0.00 176.54 174.06 1r4c h GLU 33 N 1.07 0.62 -0.41 4.80 4.57 -0.38 -2.10 114.58 122.75 1r4c h GLU 33 Ca 0.40 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1r4c h GLU 33 Cb 0.16 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1r4c h GLU 33 CO -0.17 1.07 0.25 -0.92 -1.18 0.00 0.00 179.01 178.06 1r4c h TYR 34 N 0.45 0.54 -0.46 0.92 5.03 0.26 -2.11 116.97 121.59 1r4c h TYR 34 Ca -0.02 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1r4c h TYR 34 Cb 1.24 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 39.32 1r4c h TYR 34 CO 0.06 0.37 0.19 -0.91 -1.32 0.00 0.00 178.16 176.55 1r4c h ASN 35 N 0.55 0.63 0.53 -2.11 2.35 -0.40 -2.20 115.58 114.93 1r4c h ASN 35 Ca 0.15 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1r4c h ASN 35 Cb -0.01 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1r4c h ASN 35 CO -0.03 0.62 -0.42 0.07 -1.65 0.00 0.00 177.43 176.02 1r4c h LYS 36 N 0.60 0.00 0.00 0.81 2.10 -1.29 -2.77 116.57 116.03 1r4c h LYS 36 Ca 0.15 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.76 1r4c h LYS 36 Cb 0.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 1r4c h LYS 36 CO -0.01 0.42 -0.33 0.00 -2.00 0.00 0.00 179.45 177.53 1r4c h ALA 37 N 1.58 0.83 -2.37 0.07 0.00 -1.24 -3.47 119.26 114.65 1r4c h ALA 37 Ca -0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 1r4c h ALA 37 Cb 0.80 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.65 1r4c h ALA 37 CO 0.05 0.25 0.40 -1.54 0.00 0.00 0.00 179.25 178.42 1r4c s SER 38 N -6.19 5.84 -0.08 0.00 1.04 -0.84 -4.97 113.70 108.50 1r4c s SER 38 Ca 0.05 1.42 0.18 0.00 0.48 0.00 0.00 55.95 58.07 1r4c s SER 38 Cb 0.06 -2.37 0.66 0.00 0.10 0.00 0.00 66.02 64.47 1r4c s SER 38 CO 0.71 -1.12 1.56 0.59 0.98 0.00 0.00 173.24 175.96 1r4c n ASN 39 N -2.91 4.29 -4.76 7.02 5.03 -1.26 -4.94 115.26 117.73 1r4c n ASN 39 Ca 0.07 -2.32 -0.40 0.00 0.87 0.00 0.00 54.58 52.79 1r4c n ASN 39 Cb 0.54 -0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 38.71 1r4c n ASN 39 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1r4c s ASP 40 N -0.89 7.46 0.35 6.41 -1.08 -1.26 -4.96 116.67 122.70 1r4c s ASP 40 Ca 0.47 1.74 0.25 0.00 -0.52 0.00 0.00 52.55 54.49 1r4c s ASP 40 Cb 0.29 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.85 1r4c s ASP 40 CO 0.25 0.14 1.71 0.00 0.52 0.00 0.00 175.17 177.79 1r4c h MET 41 N 4.57 0.00 -6.15 4.34 -0.00 -1.99 -3.45 114.93 112.25 1r4c h MET 41 Ca -0.46 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 58.66 1r4c h MET 41 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.77 1r4c h MET 41 CO 0.68 0.00 -0.31 0.71 -0.00 0.00 0.00 176.91 177.99 1r4c s TYR 42 N -3.20 3.48 0.25 -0.10 2.02 -1.26 -5.08 117.35 113.46 1r4c s TYR 42 Ca 0.08 0.57 -0.30 0.00 -0.37 0.00 0.00 57.07 57.05 1r4c s TYR 42 Cb 0.08 -2.01 -0.09 0.00 -0.40 0.00 0.00 41.96 39.54 1r4c s TYR 42 CO 0.62 0.45 0.97 -1.58 -1.57 0.00 0.00 175.55 174.44 1r4c s HIS 43 N -1.63 3.90 0.12 2.71 5.65 -1.26 -5.07 115.29 119.72 1r4c s HIS 43 Ca 0.40 1.87 0.06 0.00 0.25 0.00 0.00 55.06 57.65 1r4c s HIS 43 Cb -0.12 -3.04 -0.04 0.00 -1.18 0.00 0.00 32.58 28.19 1r4c s HIS 43 CO 0.24 0.25 -0.04 -1.12 -0.65 0.00 0.00 174.74 173.42 1r4c s SER 44 N -1.09 4.72 0.16 9.88 0.01 -1.26 -5.14 113.70 120.97 1r4c s SER 44 Ca 0.42 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 1r4c s SER 44 Cb -0.27 -1.01 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 1r4c s SER 44 CO 0.34 0.15 0.23 0.00 0.41 0.00 0.00 173.24 174.37 1r4c s ARG 45 N -2.46 1.11 0.07 12.44 1.70 -1.26 -4.90 118.95 125.64 1r4c s ARG 45 Ca 0.25 -1.25 -0.31 0.00 -0.47 0.00 0.00 55.73 53.95 1r4c s ARG 45 Cb -0.11 0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 1r4c s ARG 45 CO 0.17 -0.39 1.69 0.00 -1.08 0.00 0.00 175.30 175.69 1r4c s ALA 46 N -3.99 3.69 -0.16 7.88 0.00 -1.26 -4.90 121.76 123.01 1r4c s ALA 46 Ca 0.19 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1r4c s ALA 46 Cb 0.04 -3.71 -0.23 0.00 0.00 0.00 0.00 23.12 19.22 1r4c s ALA 46 CO 0.01 -1.15 0.25 -0.11 0.00 0.00 0.00 175.76 174.75 1r4c n LEU 47 N 5.76 2.42 -3.64 0.00 7.94 -1.26 -5.00 117.00 123.22 1r4c n LEU 47 Ca 0.16 0.25 -0.08 0.00 -1.11 0.00 0.00 56.01 55.23 1r4c n LEU 47 Cb 0.40 -1.05 -0.07 0.00 0.53 0.00 0.00 43.42 43.23 1r4c n LEU 47 CO 0.63 0.69 0.40 -1.58 -1.11 0.00 0.00 177.39 176.42 1r4c s GLN 48 N -2.50 0.70 -0.33 1.96 0.74 -1.26 -5.12 119.66 113.85 1r4c s GLN 48 Ca -0.26 1.13 -0.24 0.00 0.05 0.00 0.00 55.36 56.03 1r4c s GLN 48 Cb 0.07 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.37 1r4c s GLN 48 CO 0.70 -0.13 0.84 0.08 -0.55 0.00 0.00 175.29 176.22 1r4c s VAL 49 N 1.37 4.72 -0.38 1.34 1.01 -1.26 -4.91 120.40 122.28 1r4c s VAL 49 Ca -0.08 1.19 0.23 0.00 0.00 0.00 0.00 61.98 63.32 1r4c s VAL 49 Cb -0.05 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1r4c s VAL 49 CO -0.16 -0.35 0.94 1.33 0.00 0.00 0.00 175.10 176.86 1r4c n VAL 50 N 5.69 0.29 -3.64 2.92 0.24 -1.26 -4.90 118.33 117.66 1r4c n VAL 50 Ca 0.05 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 1r4c n VAL 50 Cb 0.48 -0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 1r4c n VAL 50 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1r4c s ARG 51 N -3.31 0.70 -0.06 7.34 3.52 -1.26 -5.15 118.95 120.72 1r4c s ARG 51 Ca 0.00 1.21 -0.01 0.00 -0.13 0.00 0.00 55.73 56.80 1r4c s ARG 51 Cb 0.13 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1r4c s ARG 51 CO 0.81 -0.15 -0.01 0.00 -0.81 0.00 0.00 175.30 175.15 1r4c s ALA 52 N 1.62 0.68 0.12 6.12 0.00 -1.26 -5.12 121.76 123.92 1r4c s ALA 52 Ca -0.10 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1r4c s ALA 52 Cb -0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1r4c s ALA 52 CO -0.19 -0.35 -0.09 1.03 0.00 0.00 0.00 175.76 176.16 1r4c s ARG 53 N 1.70 0.94 0.03 0.00 1.81 -1.26 -1.59 118.95 120.58 1r4c s ARG 53 Ca 0.01 -1.35 -0.10 0.00 -1.72 0.00 0.00 55.73 52.57 1r4c s ARG 53 Cb -0.13 -0.47 0.01 0.00 -0.45 0.00 0.00 34.95 33.91 1r4c s ARG 53 CO -0.04 0.05 0.20 -1.59 -0.68 0.00 0.00 175.30 173.24 1r4c s LYS 54 N -3.56 0.66 -0.20 3.54 -2.85 0.68 -4.85 119.74 113.16 1r4c s LYS 54 Ca 0.13 -0.54 -0.13 0.00 -1.00 0.00 0.00 55.97 54.42 1r4c s LYS 54 Cb 0.02 0.28 0.06 0.00 -2.06 0.00 0.00 37.83 36.13 1r4c s LYS 54 CO -0.01 -0.19 0.51 -1.14 0.10 0.00 0.00 175.35 174.62 1r4c s GLN 55 N -2.24 0.53 -0.05 1.78 0.74 -1.26 0.46 119.66 119.61 1r4c s GLN 55 Ca -0.08 0.88 -0.15 0.00 0.05 0.00 0.00 55.36 56.06 1r4c s GLN 55 Cb -0.03 0.10 -0.05 0.00 1.10 0.00 0.00 33.01 34.13 1r4c s GLN 55 CO -0.02 -0.13 0.40 -1.50 -0.55 0.00 0.00 175.29 173.48 1r4c s ILE 56 N 1.16 5.12 0.08 -2.34 2.07 -1.26 -5.06 121.20 120.96 1r4c s ILE 56 Ca -0.07 0.80 0.03 0.00 -1.41 0.00 0.00 60.65 60.00 1r4c s ILE 56 Cb -0.06 -3.71 -0.03 0.00 0.13 0.00 0.00 42.46 38.78 1r4c s ILE 56 CO -0.11 0.50 -0.09 0.68 -1.91 0.00 0.00 174.94 174.00 1r4c s VAL 57 N -0.48 0.81 0.08 4.00 -7.23 -1.26 -5.13 120.40 111.19 1r4c s VAL 57 Ca 0.23 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 58.98 1r4c s VAL 57 Cb -0.16 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 1r4c s VAL 57 CO 0.11 -0.50 -0.12 0.00 -0.31 0.00 0.00 175.10 174.27 1r4c s ALA 58 N -2.11 1.13 0.05 1.32 0.00 -1.26 -5.14 121.76 115.75 1r4c s ALA 58 Ca 0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 1r4c s ALA 58 Cb -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1r4c s ALA 58 CO -0.00 0.09 0.22 0.41 0.00 0.00 0.00 175.76 176.48 1r4c n GLY 59 N 1.04 1.30 3.03 0.00 0.00 -1.26 -4.84 105.19 104.45 1r4c n GLY 59 Ca -0.19 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 1r4c n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r4c s VAL 60 N -2.54 1.13 -0.14 1.61 1.01 0.13 -4.97 120.40 116.63 1r4c s VAL 60 Ca 0.05 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 1r4c s VAL 60 Cb -0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1r4c s VAL 60 CO 0.02 0.35 0.33 0.20 0.00 0.00 0.00 175.10 176.00 1r4c s ASN 61 N 0.61 6.50 -0.22 3.32 0.01 -1.26 -0.60 114.94 123.30 1r4c s ASN 61 Ca -0.14 0.59 -0.06 0.00 -0.71 0.00 0.00 52.86 52.55 1r4c s ASN 61 Cb -0.15 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1r4c s ASN 61 CO 0.04 0.10 0.03 -0.31 -1.51 0.00 0.00 177.10 175.44 1r4c s TYR 62 N 0.40 3.06 -0.32 2.20 2.02 0.41 -4.97 117.35 120.15 1r4c s TYR 62 Ca 0.19 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.36 1r4c s TYR 62 Cb -0.14 -2.15 0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1r4c s TYR 62 CO 0.06 -0.29 0.12 -0.06 -1.57 0.00 0.00 175.55 173.81 1r4c s PHE 63 N 1.26 3.20 -0.17 2.71 0.08 -1.26 -0.65 117.98 123.15 1r4c s PHE 63 Ca 0.04 -1.02 0.01 0.00 0.12 0.00 0.00 56.93 56.08 1r4c s PHE 63 Cb -0.15 -2.31 0.02 0.00 -0.57 0.00 0.00 43.02 40.01 1r4c s PHE 63 CO 0.02 -0.61 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.83 1r4c s LEU 64 N 1.50 2.01 -0.32 -0.37 1.43 0.35 -4.99 118.68 118.29 1r4c s LEU 64 Ca 0.02 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1r4c s LEU 64 Cb -0.18 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 1r4c s LEU 64 CO 0.04 -0.00 0.21 -1.81 0.23 0.00 0.00 176.35 175.02 1r4c s ASP 65 N 1.28 5.96 -0.03 2.29 1.01 -1.26 -0.38 116.67 125.55 1r4c s ASP 65 Ca 0.03 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 52.99 1r4c s ASP 65 Cb -0.13 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1r4c s ASP 65 CO -0.11 -0.18 -0.09 -0.69 0.21 0.00 0.00 175.17 174.31 1r4c s VAL 66 N 1.72 0.79 -0.26 -1.27 1.01 0.74 -4.98 120.40 118.15 1r4c s VAL 66 Ca 0.06 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1r4c s VAL 66 Cb -0.17 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1r4c s VAL 66 CO 0.10 0.25 0.26 -0.70 0.00 0.00 0.00 175.10 175.01 1r4c s GLU 67 N 0.19 4.02 -0.02 2.72 2.12 -1.26 -0.26 118.70 126.21 1r4c s GLU 67 Ca -0.03 -0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.16 1r4c s GLU 67 Cb -0.08 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 1r4c s GLU 67 CO 0.00 -0.15 0.00 -0.51 -0.54 0.00 0.00 175.26 174.07 1r4c s LEU 68 N 1.68 3.53 0.00 2.70 1.43 0.16 -4.95 118.68 123.22 1r4c s LEU 68 Ca 0.11 0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1r4c s LEU 68 Cb -0.15 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1r4c s LEU 68 CO 0.09 0.30 -0.22 -0.83 0.23 0.00 0.00 176.35 175.92 1r4c s GLY 69 N -1.45 1.11 -0.05 -3.19 0.00 -1.26 -0.60 107.32 101.88 1r4c s GLY 69 Ca 0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1r4c s GLY 69 CO 0.09 -0.86 1.29 -1.60 0.00 0.00 0.00 173.10 172.02 1r4c s ARG 70 N -0.73 4.31 0.41 2.90 3.52 -0.28 -5.01 118.95 124.07 1r4c s ARG 70 Ca 0.09 1.78 0.04 0.00 -0.13 0.00 0.00 55.73 57.51 1r4c s ARG 70 Cb -0.09 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1r4c s ARG 70 CO 0.00 -0.54 0.59 0.95 -0.81 0.00 0.00 175.30 175.49 1r4c s THR 71 N 2.53 3.64 -1.98 4.11 -4.23 -1.26 -2.03 115.64 116.41 1r4c s THR 71 Ca 0.59 -0.82 0.31 0.00 -1.18 0.00 0.00 61.69 60.59 1r4c s THR 71 Cb -0.27 -3.29 0.78 0.00 1.34 0.00 0.00 72.50 71.06 1r4c s THR 71 CO 0.22 -0.15 2.11 0.35 -0.54 0.00 0.00 174.62 176.62 1r4c n THR 72 N -1.90 0.00 -3.10 3.99 -2.24 0.94 -4.67 114.28 107.29 1r4c n THR 72 Ca 0.03 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1r4c n THR 72 Cb 0.58 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 1r4c n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r4c s THR 74 N -1.35 3.77 0.57 0.00 -4.23 -1.26 -4.95 115.64 108.19 1r4c s THR 74 Ca 0.39 0.06 0.27 0.00 -1.18 0.00 0.00 61.69 61.23 1r4c s THR 74 Cb -0.19 -3.50 0.34 0.00 1.34 0.00 0.00 72.50 70.49 1r4c s THR 74 CO 0.22 -0.52 2.23 0.11 -0.54 0.00 0.00 174.62 176.13 1r4c h LYS 75 N -0.17 0.00 -1.21 3.99 1.79 -1.97 -3.02 116.57 115.98 1r4c h LYS 75 Ca -0.45 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.57 1r4c h LYS 75 Cb 1.25 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.69 1r4c h LYS 75 CO 0.61 0.00 0.58 0.25 -1.08 0.00 0.00 179.45 179.81 1r4c n THR 76 N -3.98 2.99 -4.66 -0.16 -2.24 -1.26 -4.93 114.28 100.04 1r4c n THR 76 Ca -0.03 -1.97 -0.24 0.00 -2.27 0.00 0.00 64.05 59.54 1r4c n THR 76 Cb 0.09 -1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 1r4c n THR 76 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1r4c s GLN 77 N -2.60 1.29 0.62 -0.78 -0.21 -1.14 -5.14 119.66 111.71 1r4c s GLN 77 Ca 0.44 -0.76 -0.17 0.00 0.02 0.00 0.00 55.36 54.89 1r4c s GLN 77 Cb 0.35 -1.31 -0.07 0.00 1.00 0.00 0.00 33.01 32.98 1r4c s GLN 77 CO 0.02 0.34 0.58 -2.30 -2.12 0.00 0.00 175.29 171.81 1r4c n PRO 78 N 2.21 0.49 -3.69 2.91 -0.02 -1.26 -3.47 135.00 132.17 1r4c n PRO 78 Ca -0.16 0.20 -0.23 0.00 -2.02 0.00 0.00 63.50 61.29 1r4c n PRO 78 Cb 0.54 -1.80 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 1r4c n PRO 78 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1r4c n ASN 79 N 0.08 -2.03 0.27 2.55 5.03 -1.26 -4.87 115.26 115.02 1r4c n ASN 79 Ca 0.11 -0.86 0.18 0.00 0.87 0.00 0.00 54.58 54.89 1r4c n ASN 79 Cb 0.48 -3.94 0.90 0.00 -1.02 0.00 0.00 39.78 36.20 1r4c n ASN 79 CO 0.00 0.00 0.00 0.17 -1.83 0.00 0.00 177.26 175.60 1r4c h LEU 80 N -1.81 0.00 0.00 3.41 -0.00 -1.94 -3.09 115.31 111.88 1r4c h LEU 80 Ca -0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 1r4c h LEU 80 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.02 1r4c h LEU 80 CO 0.55 0.00 -0.65 -0.67 -0.00 0.00 0.00 178.44 177.67 1r4c n ASP 81 N -3.34 2.65 -3.92 0.17 -0.08 -1.26 -4.95 116.55 105.82 1r4c n ASP 81 Ca -0.00 -0.23 -0.29 0.00 -1.51 0.00 0.00 54.79 52.75 1r4c n ASP 81 Cb 0.31 1.05 -0.11 0.00 2.34 0.00 0.00 41.12 44.71 1r4c n ASP 81 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1r4c n ASN 82 N -1.34 3.27 -3.90 1.67 3.02 -1.17 -5.05 115.26 111.76 1r4c n ASN 82 Ca -0.00 -3.21 -0.08 0.00 -0.03 0.00 0.00 54.58 51.25 1r4c n ASN 82 Cb 0.04 -0.81 -0.04 0.00 -0.61 0.00 0.00 39.78 38.37 1r4c n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r4c n PRO 84 N -0.42 0.00 -3.30 0.00 -0.02 -1.26 -4.65 135.00 125.34 1r4c n PRO 84 Ca -0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 1r4c n PRO 84 Cb 0.61 -0.76 -0.06 0.00 -0.02 0.00 0.00 33.50 33.26 1r4c n PRO 84 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1r4c s PHE 85 N -0.87 3.63 0.11 6.00 0.08 -1.26 -0.04 117.98 125.63 1r4c s PHE 85 Ca 0.48 1.14 -0.31 0.00 0.12 0.00 0.00 56.93 58.36 1r4c s PHE 85 Cb -0.66 -2.43 -0.11 0.00 -0.57 0.00 0.00 43.02 39.25 1r4c s PHE 85 CO 0.44 0.42 1.86 0.72 -0.10 0.00 0.00 175.22 178.56 1r4c n HIS 86 N 0.85 2.61 -0.75 0.36 8.25 -0.86 -4.73 115.22 120.96 1r4c n HIS 86 Ca -0.05 -0.17 0.08 0.00 -0.26 0.00 0.00 57.72 57.32 1r4c n HIS 86 Cb 0.52 -2.74 0.29 0.00 1.12 0.00 0.00 29.99 29.18 1r4c n HIS 86 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1r4c n ASP 87 N 5.85 4.26 -4.62 0.41 8.00 -1.26 -4.53 116.55 124.65 1r4c n ASP 87 Ca 0.18 -2.69 -0.40 0.00 0.71 0.00 0.00 54.79 52.59 1r4c n ASP 87 Cb 0.38 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1r4c n ASP 87 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1r4c s GLN 88 N -2.26 4.10 0.16 -1.24 1.11 -1.26 -4.98 119.66 115.28 1r4c s GLN 88 Ca 0.43 0.43 -0.12 0.00 0.01 0.00 0.00 55.36 56.11 1r4c s GLN 88 Cb 0.31 -3.65 0.16 0.00 -1.01 0.00 0.00 33.01 28.83 1r4c s GLN 88 CO 0.15 -0.37 1.06 -2.30 0.01 0.00 0.00 175.29 173.84 1r4c n PRO 89 N 5.57 -0.16 0.00 2.91 -0.02 -1.26 -0.63 135.00 141.41 1r4c n PRO 89 Ca -0.03 1.05 0.12 0.00 -2.02 0.00 0.00 63.50 62.62 1r4c n PRO 89 Cb 0.49 -1.56 0.11 0.00 -0.02 0.00 0.00 33.50 32.53 1r4c n PRO 89 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1r4c n HIS 90 N -5.00 0.00 -0.00 6.00 8.25 -1.26 -4.19 115.22 119.01 1r4c n HIS 90 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.56 1r4c n HIS 90 Cb 0.27 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.26 1r4c n HIS 90 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r4c n LEU 91 N 0.69 0.37 -4.77 2.41 4.77 0.20 -4.96 117.00 115.72 1r4c n LEU 91 Ca 0.13 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 1r4c n LEU 91 Cb 0.52 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1r4c n LEU 91 CO 0.20 0.14 0.95 -1.59 -1.33 0.00 0.00 177.39 175.76 1r4c s LYS 92 N -3.08 3.81 -0.24 3.23 -2.85 -0.23 -4.93 119.74 115.45 1r4c s LYS 92 Ca -0.06 2.13 -0.17 0.00 -1.00 0.00 0.00 55.97 56.87 1r4c s LYS 92 Cb 0.10 -2.64 0.07 0.00 -2.06 0.00 0.00 37.83 33.30 1r4c s LYS 92 CO 0.85 -0.61 0.60 0.50 0.10 0.00 0.00 175.35 176.79 1r4c s ARG 93 N -2.40 0.66 0.03 1.78 3.52 -1.26 -5.05 118.95 116.23 1r4c s ARG 93 Ca 0.60 0.97 0.06 0.00 -0.13 0.00 0.00 55.73 57.23 1r4c s ARG 93 Cb -0.37 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.21 1r4c s ARG 93 CO 0.47 -0.12 -0.18 0.15 -0.81 0.00 0.00 175.30 174.81 1r4c s LYS 94 N 0.96 1.26 0.01 5.12 1.02 -1.17 -1.13 119.74 125.82 1r4c s LYS 94 Ca -0.05 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.11 1r4c s LYS 94 Cb -0.05 -1.33 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 1r4c s LYS 94 CO -0.09 0.34 -0.04 0.00 -0.92 0.00 0.00 175.35 174.64 1r4c s ALA 95 N -0.75 0.34 -0.33 5.17 0.00 0.23 0.16 121.76 126.57 1r4c s ALA 95 Ca 0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 1r4c s ALA 95 Cb -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1r4c s ALA 95 CO 0.01 0.05 0.18 -0.06 0.00 0.00 0.00 175.76 175.94 1r4c s PHE 96 N -0.36 3.20 0.11 0.00 0.40 -0.10 -0.67 117.98 120.56 1r4c s PHE 96 Ca -0.01 -0.65 0.09 0.00 -0.60 0.00 0.00 56.93 55.75 1r4c s PHE 96 Cb -0.03 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1r4c s PHE 96 CO -0.00 -0.51 -0.17 0.00 0.70 0.00 0.00 175.22 175.24 1r4c s SER 98 N -2.11 3.45 -0.08 0.00 0.01 0.32 -0.18 113.70 115.10 1r4c s SER 98 Ca 0.18 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.60 1r4c s SER 98 Cb -0.11 -1.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.77 1r4c s SER 98 CO 0.10 -0.11 -0.21 -0.36 0.41 0.00 0.00 173.24 173.07 1r4c s PHE 99 N 1.33 2.57 -0.24 2.43 0.08 0.49 -1.90 117.98 122.74 1r4c s PHE 99 Ca -0.01 -0.70 -0.03 0.00 0.12 0.00 0.00 56.93 56.32 1r4c s PHE 99 Cb -0.16 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1r4c s PHE 99 CO -0.09 -0.20 -0.04 -1.14 -0.10 0.00 0.00 175.22 173.64 1r4c s GLN 100 N -0.05 3.07 -0.20 0.44 0.74 -0.63 -0.50 119.66 122.53 1r4c s GLN 100 Ca -0.06 -0.83 -0.05 0.00 0.05 0.00 0.00 55.36 54.47 1r4c s GLN 100 Cb -0.15 -3.02 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1r4c s GLN 100 CO 0.05 -0.32 -0.00 0.42 -0.55 0.00 0.00 175.29 174.88 1r4c s ILE 101 N 1.40 3.91 -0.32 -2.34 1.09 0.18 -1.07 121.20 124.05 1r4c s ILE 101 Ca 0.03 -0.33 -0.14 0.00 -1.10 0.00 0.00 60.65 59.11 1r4c s ILE 101 Cb -0.16 -2.77 -0.02 0.00 -1.06 0.00 0.00 42.46 38.45 1r4c s ILE 101 CO -0.04 0.42 0.32 -0.47 -0.10 0.00 0.00 174.94 175.08 1r4c s TYR 102 N 1.08 3.22 0.07 3.97 5.04 0.14 -0.45 117.35 130.42 1r4c s TYR 102 Ca 0.02 0.06 0.08 0.00 -2.44 0.00 0.00 57.07 54.79 1r4c s TYR 102 Cb -0.14 -2.59 -0.04 0.00 0.35 0.00 0.00 41.96 39.55 1r4c s TYR 102 CO 0.01 -0.34 -0.17 0.00 -1.34 0.00 0.00 175.55 173.71 1r4c s ALA 103 N 1.96 2.65 -0.51 3.97 0.00 0.23 -1.56 121.76 128.50 1r4c s ALA 103 Ca 0.11 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1r4c s ALA 103 Cb -0.16 -0.73 0.15 0.00 0.00 0.00 0.00 23.12 22.37 1r4c s ALA 103 CO 0.11 0.58 0.31 0.08 0.00 0.00 0.00 175.76 176.85 1r4c s VAL 104 N -1.02 1.86 0.32 0.00 1.01 -0.49 -0.69 120.40 121.40 1r4c s VAL 104 Ca 0.16 -3.11 0.04 0.00 0.00 0.00 0.00 61.98 59.07 1r4c s VAL 104 Cb -0.11 -2.28 0.29 0.00 0.00 0.00 0.00 36.38 34.29 1r4c s VAL 104 CO 0.07 -0.94 1.90 -0.65 0.00 0.00 0.00 175.10 175.48 1r4c h PRO 105 N 6.27 0.86 0.00 2.72 0.11 -1.91 0.52 132.00 140.56 1r4c h PRO 105 Ca 0.04 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1r4c h PRO 105 Cb 0.88 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1r4c h PRO 105 CO 0.57 0.57 0.00 -2.67 -0.21 0.00 0.00 178.00 176.25 1r4c n TRP 106 N -4.53 0.00 -0.02 0.65 2.14 -1.26 -2.10 117.44 112.32 1r4c n TRP 106 Ca 0.15 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.74 1r4c n TRP 106 Cb 0.30 -0.27 0.05 0.00 -0.81 0.00 0.00 31.31 30.58 1r4c n TRP 106 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 1r4c n GLN 107 N -1.27 2.33 -4.24 -2.67 6.02 0.05 -5.02 117.38 112.58 1r4c n GLN 107 Ca 0.12 -1.54 -0.33 0.00 -0.01 0.00 0.00 57.00 55.24 1r4c n GLN 107 Cb 0.20 -1.10 -0.06 0.00 1.02 0.00 0.00 30.24 30.30 1r4c n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4c n GLY 108 N -0.03 -0.28 3.33 1.08 0.00 -0.48 -4.98 105.19 103.82 1r4c n GLY 108 Ca 0.04 0.14 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1r4c n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4c s THR 109 N -3.78 1.73 -0.00 2.61 -4.23 -1.00 -5.01 115.64 105.96 1r4c s THR 109 Ca 0.35 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1r4c s THR 109 Cb -0.19 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.77 1r4c s THR 109 CO 0.96 -0.42 0.03 -0.04 -0.54 0.00 0.00 174.62 174.60 1r4c s MET 110 N -3.06 0.17 0.01 3.99 -1.94 -1.26 -1.40 119.30 115.81 1r4c s MET 110 Ca 0.17 -0.21 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1r4c s MET 110 Cb -0.04 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.86 1r4c s MET 110 CO 0.06 -0.03 -0.02 0.99 -0.01 0.00 0.00 175.02 176.01 1r4c s THR 111 N -0.60 0.13 -0.50 2.05 2.01 -0.60 -5.00 115.64 113.14 1r4c s THR 111 Ca -0.07 -0.32 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1r4c s THR 111 Cb -0.04 -0.17 0.04 0.00 0.01 0.00 0.00 72.50 72.34 1r4c s THR 111 CO -0.00 -0.12 0.71 -0.22 -0.69 0.00 0.00 174.62 174.30 1r4c s LEU 112 N -0.47 4.61 -0.02 4.42 2.96 -1.26 -0.69 118.68 128.23 1r4c s LEU 112 Ca -0.04 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.29 1r4c s LEU 112 Cb -0.03 -2.63 -0.26 0.00 0.50 0.00 0.00 46.19 43.77 1r4c s LEU 112 CO -0.00 -0.94 0.76 0.28 -1.32 0.00 0.00 176.35 175.13 1r4c h SER 113 N 9.03 0.26 -4.50 3.68 0.02 -1.47 -3.48 113.55 117.10 1r4c h SER 113 Ca -0.26 -0.43 -0.17 0.00 -0.84 0.00 0.00 61.79 60.09 1r4c h SER 113 Cb 1.09 -0.09 -0.23 0.00 0.14 0.00 0.00 62.40 63.31 1r4c h SER 113 CO 0.97 1.37 -0.54 -0.54 -1.14 0.00 0.00 176.83 176.95 1r4c s LYS 114 N -2.61 0.34 -0.29 3.45 -0.14 -1.18 -4.99 119.74 114.31 1r4c s LYS 114 Ca -0.09 -0.18 -0.09 0.00 -1.36 0.00 0.00 55.97 54.24 1r4c s LYS 114 Cb 0.07 0.14 0.13 0.00 -1.68 0.00 0.00 37.83 36.50 1r4c s LYS 114 CO 0.83 -0.07 0.63 0.45 -0.76 0.00 0.00 175.35 176.43 1r4c s SER 115 N -0.81 -1.11 -0.05 2.83 0.15 -1.25 -1.60 113.70 111.86 1r4c s SER 115 Ca -0.09 1.50 -0.09 0.00 0.70 0.00 0.00 55.95 57.96 1r4c s SER 115 Cb -0.05 2.24 0.02 0.00 -1.71 0.00 0.00 66.02 66.52 1r4c s SER 115 CO 0.01 -0.22 0.23 0.28 1.20 0.00 0.00 173.24 174.74 1r4c s THR 116 N 2.88 0.03 0.04 6.45 -1.32 -0.80 -5.00 115.64 117.93 1r4c s THR 116 Ca -0.04 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1r4c s THR 116 Cb -0.12 -0.42 -0.02 0.00 -1.51 0.00 0.00 72.50 70.42 1r4c s THR 116 CO -0.19 -0.15 -0.10 0.00 -2.21 0.00 0.00 174.62 171.97 1r4c s GLN 118 N -1.40 1.35 0.85 0.00 -1.52 -0.05 -4.97 119.66 113.92 1r4c s GLN 118 Ca -0.05 -0.24 -0.11 0.00 -1.95 0.00 0.00 55.36 53.02 1r4c s GLN 118 Cb -0.09 -1.32 0.10 0.00 -0.22 0.00 0.00 33.01 31.49 1r4c s GLN 118 CO 0.01 -0.14 1.09 -0.51 -0.25 0.00 0.00 175.29 175.49 1r4c s ASP 119 N 1.25 3.85 0.00 5.90 -0.00 -1.26 -0.92 116.67 125.48 1r4c s ASP 119 Ca -0.04 1.66 0.00 0.00 -0.00 0.00 0.00 52.55 54.16 1r4c s ASP 119 Cb -0.14 -2.34 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 1r4c s ASP 119 CO -0.02 -2.43 0.45 0.00 -0.00 0.00 0.00 175.17 173.17