#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmy n THR 26 N 0.00 0.39 -2.67 2.61 -2.24 -1.26 -4.68 114.28 106.43 1dmy n THR 26 Ca 0.00 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 1dmy n THR 26 Cb 0.00 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1dmy n THR 26 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dmy n ARG 27 N -2.26 4.55 -3.97 -0.78 1.74 -1.26 -4.75 116.66 109.93 1dmy n ARG 27 Ca -0.11 -4.63 -0.30 0.00 -0.77 0.00 0.00 57.85 52.03 1dmy n ARG 27 Cb 0.64 -2.38 -0.05 0.00 -1.02 0.00 0.00 32.46 29.66 1dmy n ARG 27 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1dmy s GLN 28 N -4.05 3.25 0.23 5.56 -1.52 -1.26 -2.40 119.66 119.48 1dmy s GLN 28 Ca 0.43 -0.56 0.09 0.00 -1.95 0.00 0.00 55.36 53.38 1dmy s GLN 28 Cb 0.24 -2.92 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 1dmy s GLN 28 CO -0.16 0.58 -0.16 -1.12 -0.25 0.00 0.00 175.29 174.18 1dmy s SER 29 N -2.61 2.93 1.00 5.90 0.01 -1.26 -4.69 113.70 114.98 1dmy s SER 29 Ca 0.33 -1.03 -0.17 0.00 1.31 0.00 0.00 55.95 56.39 1dmy s SER 29 Cb -0.12 -0.19 0.22 0.00 0.21 0.00 0.00 66.02 66.13 1dmy s SER 29 CO 0.26 -0.11 1.29 -2.16 0.41 0.00 0.00 173.24 172.93 1dmy s PRO 30 N -3.60 0.31 0.16 12.44 0.04 -1.26 -4.67 135.00 138.42 1dmy s PRO 30 Ca 0.25 -0.36 -0.04 0.00 0.04 0.00 0.00 61.00 60.90 1dmy s PRO 30 Cb -0.02 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1dmy s PRO 30 CO 0.10 -2.64 0.15 0.96 0.04 0.00 0.00 177.00 175.61 1dmy s ILE 31 N -3.74 0.07 -0.37 0.56 -4.36 -1.26 0.12 121.20 112.22 1dmy s ILE 31 Ca 0.74 -1.76 -0.18 0.00 -0.26 0.00 0.00 60.65 59.18 1dmy s ILE 31 Cb -0.05 -2.08 0.00 0.00 1.25 0.00 0.00 42.46 41.59 1dmy s ILE 31 CO 0.54 -0.32 0.53 0.21 0.24 0.00 0.00 174.94 176.14 1dmy s ASN 32 N -3.04 6.31 -0.56 4.36 3.84 -1.26 -2.93 114.94 121.66 1dmy s ASN 32 Ca 0.25 -0.12 -0.28 0.00 0.21 0.00 0.00 52.86 52.91 1dmy s ASN 32 Cb 0.06 -2.27 0.02 0.00 -0.55 0.00 0.00 41.25 38.51 1dmy s ASN 32 CO 0.03 -0.54 1.25 -0.63 -2.79 0.00 0.00 177.10 174.43 1dmy s ILE 33 N 2.45 3.97 -0.05 -5.21 1.01 0.67 -4.78 121.20 119.26 1dmy s ILE 33 Ca 0.19 0.88 0.01 0.00 0.00 0.00 0.00 60.65 61.73 1dmy s ILE 33 Cb -0.15 -4.62 -0.03 0.00 0.01 0.00 0.00 42.46 37.67 1dmy s ILE 33 CO 0.14 -1.23 -0.05 -1.10 0.00 0.00 0.00 174.94 172.69 1dmy s GLN 34 N 5.04 2.75 0.16 2.79 -0.21 -1.26 1.00 119.66 129.92 1dmy s GLN 34 Ca 0.47 -0.56 -0.17 0.00 0.02 0.00 0.00 55.36 55.11 1dmy s GLN 34 Cb -0.09 -2.61 0.08 0.00 1.00 0.00 0.00 33.01 31.39 1dmy s GLN 34 CO 0.26 0.66 1.69 2.35 -2.12 0.00 0.00 175.29 178.13 1dmy h TRP 35 N 5.02 -0.07 0.00 0.91 2.91 -1.97 -1.17 115.95 121.59 1dmy h TRP 35 Ca -0.49 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.56 1dmy h TRP 35 Cb 1.17 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 1dmy h TRP 35 CO 0.58 -0.09 0.30 1.57 -1.03 0.00 0.00 178.44 179.76 1dmy h LYS 36 N 0.07 0.00 -0.02 2.65 2.10 -2.02 0.13 116.57 119.49 1dmy h LYS 36 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1dmy h LYS 36 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1dmy h LYS 36 CO -0.32 0.00 -0.27 -0.25 -2.00 0.00 0.00 179.45 176.61 1dmy n ASP 37 N -2.59 2.04 -4.77 7.07 8.00 -0.45 -4.99 116.55 120.85 1dmy n ASP 37 Ca -0.02 -1.52 -0.39 0.00 0.71 0.00 0.00 54.79 53.58 1dmy n ASP 37 Cb 0.33 0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 1dmy n ASP 37 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1dmy s SER 38 N -1.96 7.01 -0.19 -2.24 0.01 0.45 -4.29 113.70 112.49 1dmy s SER 38 Ca 0.18 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1dmy s SER 38 Cb 0.15 -2.37 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1dmy s SER 38 CO 0.40 0.15 -0.07 0.54 0.41 0.00 0.00 173.24 174.66 1dmy s VAL 39 N -0.44 1.38 0.14 3.43 0.11 -0.83 -4.94 120.40 119.25 1dmy s VAL 39 Ca 0.31 -0.85 -0.31 0.00 -2.93 0.00 0.00 61.98 58.19 1dmy s VAL 39 Cb -0.19 -1.52 -0.10 0.00 -1.53 0.00 0.00 36.38 33.04 1dmy s VAL 39 CO 0.18 0.12 1.71 -0.47 -3.33 0.00 0.00 175.10 173.31 1dmy s TYR 40 N 1.51 2.61 -0.35 1.54 5.04 -1.26 -2.01 117.35 124.43 1dmy s TYR 40 Ca -0.01 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.90 1dmy s TYR 40 Cb -0.16 -4.07 0.08 0.00 0.35 0.00 0.00 41.96 38.16 1dmy s TYR 40 CO -0.08 -4.19 0.08 0.34 -1.34 0.00 0.00 175.55 170.36 1dmy s ASP 41 N 1.89 4.98 0.00 4.32 2.15 -0.79 -4.88 116.67 124.33 1dmy s ASP 41 Ca 0.75 -1.75 0.24 0.00 0.43 0.00 0.00 52.55 52.22 1dmy s ASP 41 Cb -0.45 -1.73 1.43 0.00 -0.30 0.00 0.00 42.92 41.86 1dmy s ASP 41 CO 0.33 -0.39 1.79 -0.81 -0.17 0.00 0.00 175.17 175.92 1dmy n PRO 42 N 4.53 0.75 0.06 4.34 -0.04 -1.26 -2.65 135.00 140.72 1dmy n PRO 42 Ca -0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1dmy n PRO 42 Cb 0.42 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.59 1dmy n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1dmy n GLN 43 N -1.00 0.27 -1.93 0.54 -0.06 -1.26 -4.88 117.38 109.06 1dmy n GLN 43 Ca 0.18 0.10 -0.42 0.00 -2.00 0.00 0.00 57.00 54.85 1dmy n GLN 43 Cb 0.08 -1.69 -0.03 0.00 -4.06 0.00 0.00 30.24 24.55 1dmy n GLN 43 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1dmy s LEU 44 N -4.17 4.35 0.95 1.69 1.43 -1.08 -4.99 118.68 116.86 1dmy s LEU 44 Ca 0.07 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 1dmy s LEU 44 Cb 0.14 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.98 1dmy s LEU 44 CO 0.70 -0.95 1.09 0.00 0.23 0.00 0.00 176.35 177.42 1dmy s ALA 45 N 3.96 1.16 0.42 4.21 0.00 -1.24 -4.86 121.76 125.40 1dmy s ALA 45 Ca 0.77 -0.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 1dmy s ALA 45 Cb -0.36 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 1dmy s ALA 45 CO 0.32 -2.68 1.37 -2.14 0.00 0.00 0.00 175.76 172.63 1dmy s PRO 46 N -4.82 3.87 -0.35 0.00 0.02 -1.26 -1.70 135.00 130.75 1dmy s PRO 46 Ca 0.65 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.74 1dmy s PRO 46 Cb -0.20 -2.73 0.01 0.00 0.02 0.00 0.00 34.50 31.59 1dmy s PRO 46 CO 0.58 -0.62 0.74 -1.17 -0.33 0.00 0.00 177.00 176.20 1dmy s LEU 47 N -2.52 4.16 -0.30 -5.54 2.96 -1.26 -1.80 118.68 114.38 1dmy s LEU 47 Ca 0.58 0.34 -0.14 0.00 -0.22 0.00 0.00 54.13 54.69 1dmy s LEU 47 Cb -0.41 -2.96 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 1dmy s LEU 47 CO 0.53 -0.68 0.32 -0.13 -1.32 0.00 0.00 176.35 175.07 1dmy s ARG 48 N 2.97 3.79 -0.23 1.98 3.00 0.89 -4.90 118.95 126.45 1dmy s ARG 48 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 55.73 55.74 1dmy s ARG 48 Cb -0.14 -3.72 0.01 0.00 0.00 0.00 0.00 34.95 31.10 1dmy s ARG 48 CO 0.16 -0.36 -0.06 0.08 0.00 0.00 0.00 175.30 175.11 1dmy s VAL 49 N 1.95 3.05 -0.26 3.52 1.01 -1.26 -1.24 120.40 127.18 1dmy s VAL 49 Ca 0.11 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1dmy s VAL 49 Cb -0.16 -2.44 0.09 0.00 0.00 0.00 0.00 36.38 33.87 1dmy s VAL 49 CO 0.11 0.35 0.12 -0.55 0.00 0.00 0.00 175.10 175.13 1dmy s SER 50 N 1.40 3.13 -0.05 3.32 0.15 -0.83 -5.05 113.70 115.77 1dmy s SER 50 Ca 0.04 -1.07 -0.01 0.00 0.70 0.00 0.00 55.95 55.60 1dmy s SER 50 Cb -0.15 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.84 1dmy s SER 50 CO -0.05 -0.41 0.04 -0.31 1.20 0.00 0.00 173.24 173.71 1dmy s TYR 51 N 2.12 3.22 -0.61 3.44 2.02 -1.26 -1.10 117.35 125.17 1dmy s TYR 51 Ca 0.07 0.21 -0.19 0.00 -0.37 0.00 0.00 57.07 56.78 1dmy s TYR 51 Cb -0.16 -1.77 0.10 0.00 -0.40 0.00 0.00 41.96 39.74 1dmy s TYR 51 CO -0.29 0.52 0.75 0.34 -1.57 0.00 0.00 175.55 175.30 1dmy s ASP 52 N -1.26 6.20 0.53 2.29 2.15 -1.26 -4.92 116.67 120.40 1dmy s ASP 52 Ca 0.17 -1.41 0.22 0.00 0.43 0.00 0.00 52.55 51.96 1dmy s ASP 52 Cb -0.12 -2.32 1.37 0.00 -0.30 0.00 0.00 42.92 41.55 1dmy s ASP 52 CO 0.07 -1.15 2.07 0.00 -0.17 0.00 0.00 175.17 175.99 1dmy h ALA 53 N 9.21 2.22 0.00 3.66 0.00 -1.98 -1.52 119.26 130.85 1dmy h ALA 53 Ca -0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1dmy h ALA 53 Cb 1.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dmy h ALA 53 CO 1.11 -0.33 -0.08 0.00 0.00 0.00 0.00 179.25 179.95 1dmy h ALA 54 N 1.86 1.13 -0.05 0.00 0.00 -1.91 -1.10 119.26 119.19 1dmy h ALA 54 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dmy h ALA 54 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1dmy h ALA 54 CO -0.00 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1dmy n SER 55 N -3.37 0.34 -4.71 0.00 3.41 -0.57 -4.83 113.62 103.89 1dmy n SER 55 Ca -0.01 -1.75 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1dmy n SER 55 Cb 0.24 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1dmy n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dmy n ARG 57 N 3.82 0.05 -4.00 0.00 5.12 -0.41 -4.63 116.66 116.60 1dmy n ARG 57 Ca 0.08 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.93 1dmy n ARG 57 Cb 0.46 -0.40 -0.07 0.00 -1.16 0.00 0.00 32.46 31.30 1dmy n ARG 57 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1dmy s TYR 58 N -1.28 0.48 -0.07 -1.55 -0.85 -1.21 0.89 117.35 113.76 1dmy s TYR 58 Ca -0.03 -0.82 0.05 0.00 -0.52 0.00 0.00 57.07 55.76 1dmy s TYR 58 Cb 0.00 -0.02 -0.00 0.00 0.38 0.00 0.00 41.96 42.32 1dmy s TYR 58 CO 0.04 -0.82 -0.23 -1.17 -1.52 0.00 0.00 175.55 171.86 1dmy s LEU 59 N -3.01 2.03 0.04 -3.49 0.20 -0.22 -0.13 118.68 114.10 1dmy s LEU 59 Ca 0.22 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.51 1dmy s LEU 59 Cb 0.02 -1.31 -0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1dmy s LEU 59 CO 0.05 0.19 0.03 -1.66 -0.29 0.00 0.00 176.35 174.68 1dmy s TRP 60 N 0.08 0.32 -0.43 5.38 1.48 -0.40 -1.07 118.94 124.31 1dmy s TRP 60 Ca -0.09 -0.72 -0.20 0.00 -1.06 0.00 0.00 56.10 54.02 1dmy s TRP 60 Cb -0.15 -0.24 0.02 0.00 -1.16 0.00 0.00 33.47 31.95 1dmy s TRP 60 CO 0.05 -0.35 0.62 1.21 -4.06 0.00 0.00 176.95 174.42 1dmy s ASN 61 N -2.35 6.32 0.50 -2.66 3.84 -0.40 -1.20 114.94 119.00 1dmy s ASN 61 Ca -0.02 -0.31 0.29 0.00 0.21 0.00 0.00 52.86 53.03 1dmy s ASN 61 Cb 0.01 -2.31 1.11 0.00 -0.55 0.00 0.00 41.25 39.51 1dmy s ASN 61 CO -0.06 -0.74 1.89 0.71 -2.79 0.00 0.00 177.10 176.11 1dmy h THR 62 N 5.84 0.21 0.00 -5.21 1.35 -1.51 0.16 112.91 113.75 1dmy h THR 62 Ca -0.26 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1dmy h THR 62 Cb 1.10 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1dmy h THR 62 CO 0.88 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 1dmy n GLY 63 N 0.18 0.70 0.66 5.82 0.00 -1.26 -4.61 105.19 106.69 1dmy n GLY 63 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1dmy n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1dmy n TYR 64 N -1.07 0.00 -4.01 1.61 9.36 -1.26 -4.63 117.16 117.16 1dmy n TYR 64 Ca 0.00 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.08 1dmy n TYR 64 Cb 0.00 0.04 -0.02 0.00 -0.63 0.00 0.00 39.34 38.73 1dmy n TYR 64 CO 0.00 0.00 0.00 -0.59 0.22 0.00 0.00 176.86 176.49 1dmy s PHE 65 N -1.94 0.87 -0.09 2.98 -0.12 -1.26 -4.79 117.98 113.63 1dmy s PHE 65 Ca 0.00 -1.21 -0.05 0.00 -0.05 0.00 0.00 56.93 55.62 1dmy s PHE 65 Cb 0.00 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1dmy s PHE 65 CO 0.00 -1.29 0.10 -0.59 -0.05 0.00 0.00 175.22 173.39 1dmy s PHE 66 N -2.71 3.45 -0.02 3.49 -0.12 -1.26 -1.27 117.98 119.55 1dmy s PHE 66 Ca 0.27 0.39 0.03 0.00 -0.05 0.00 0.00 56.93 57.57 1dmy s PHE 66 Cb -0.02 -1.87 -0.00 0.00 -0.63 0.00 0.00 43.02 40.50 1dmy s PHE 66 CO 0.19 0.64 -0.10 -1.14 -0.05 0.00 0.00 175.22 174.77 1dmy s GLN 67 N -1.17 0.91 -0.23 1.99 0.74 -0.34 -3.62 119.66 117.95 1dmy s GLN 67 Ca 0.17 -0.34 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 1dmy s GLN 67 Cb -0.12 -0.86 -0.05 0.00 1.10 0.00 0.00 33.01 33.08 1dmy s GLN 67 CO 0.06 0.16 0.20 0.08 -0.55 0.00 0.00 175.29 175.25 1dmy s VAL 68 N -0.01 5.34 -0.12 1.34 1.01 -0.17 -1.27 120.40 126.51 1dmy s VAL 68 Ca 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1dmy s VAL 68 Cb -0.06 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1dmy s VAL 68 CO 0.00 0.34 0.08 -0.70 0.00 0.00 0.00 175.10 174.82 1dmy s GLU 69 N 1.00 3.41 0.33 2.72 2.56 0.81 -2.24 118.70 127.30 1dmy s GLU 69 Ca 0.10 -0.26 0.09 0.00 0.00 0.00 0.00 54.97 54.90 1dmy s GLU 69 Cb -0.13 -3.08 -0.05 0.00 2.00 0.00 0.00 34.13 32.87 1dmy s GLU 69 CO 0.04 0.65 0.05 -0.06 -0.56 0.00 0.00 175.26 175.38 1dmy s PHE 70 N -0.70 2.61 -0.55 5.30 0.40 0.03 -1.29 117.98 123.78 1dmy s PHE 70 Ca 0.12 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.87 1dmy s PHE 70 Cb -0.12 -1.49 0.08 0.00 0.51 0.00 0.00 43.02 42.00 1dmy s PHE 70 CO 0.03 0.46 0.64 0.34 0.70 0.00 0.00 175.22 177.38 1dmy s ASP 71 N -3.75 6.20 0.00 1.36 2.15 0.49 -4.87 116.67 118.25 1dmy s ASP 71 Ca 0.35 -1.24 0.00 0.00 0.43 0.00 0.00 52.55 52.09 1dmy s ASP 71 Cb -0.02 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1dmy s ASP 71 CO 0.20 -0.98 0.42 -0.90 -0.17 0.00 0.00 175.17 173.74 1dmy n ASP 72 N 6.14 0.87 0.23 -0.34 5.75 -1.26 -3.76 116.55 124.17 1dmy n ASP 72 Ca -0.09 -1.59 0.13 0.00 -0.01 0.00 0.00 54.79 53.23 1dmy n ASP 72 Cb 0.44 -0.40 0.29 0.00 -1.03 0.00 0.00 41.12 40.42 1dmy n ASP 72 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1dmy h SER 73 N 0.21 0.00 -3.30 -1.12 0.02 -1.92 -3.43 113.55 104.01 1dmy h SER 73 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1dmy h SER 73 Cb 0.42 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 1dmy h SER 73 CO 0.00 0.01 0.78 0.00 -1.14 0.00 0.00 176.83 176.48 1dmy n GLU 75 N 6.73 0.79 -0.00 0.00 1.02 -1.26 -3.12 120.64 124.79 1dmy n GLU 75 Ca 0.11 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.29 1dmy n GLU 75 Cb 0.47 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1dmy n GLU 75 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1dmy n ASP 76 N -0.93 1.08 -4.54 1.62 5.75 -1.26 -4.92 116.55 113.35 1dmy n ASP 76 Ca 0.16 -0.51 -0.43 0.00 -0.01 0.00 0.00 54.79 54.00 1dmy n ASP 76 Cb 0.07 1.10 -0.06 0.00 -1.03 0.00 0.00 41.12 41.20 1dmy n ASP 76 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1dmy s SER 77 N -2.08 6.38 0.00 -1.12 0.15 -1.18 -4.63 113.70 111.22 1dmy s SER 77 Ca 0.01 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1dmy s SER 77 Cb 0.06 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1dmy s SER 77 CO 0.34 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1dmy n GLY 78 N 4.95 -0.68 3.43 9.45 0.00 -0.26 -2.27 105.19 119.81 1dmy n GLY 78 Ca -0.00 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1dmy n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dmy s ILE 79 N -2.99 2.00 0.28 -0.61 -4.36 0.27 -1.96 121.20 113.82 1dmy s ILE 79 Ca 0.00 -2.25 -0.17 0.00 -0.26 0.00 0.00 60.65 57.97 1dmy s ILE 79 Cb 0.00 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.43 1dmy s ILE 79 CO 0.00 -0.42 0.62 -0.55 0.24 0.00 0.00 174.94 174.83 1dmy s SER 80 N -3.44 -0.13 0.01 4.36 0.15 -0.37 -0.56 113.70 113.73 1dmy s SER 80 Ca 0.28 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1dmy s SER 80 Cb -0.01 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1dmy s SER 80 CO 0.12 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.88 1dmy n GLY 81 N -0.44 -1.13 7.00 9.45 0.00 -1.26 -0.08 105.19 118.73 1dmy n GLY 81 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1dmy n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmy n GLY 82 N 0.00 2.92 0.52 -0.02 0.00 -0.69 -1.26 105.19 106.67 1dmy n GLY 82 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1dmy n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dmy n PRO 83 N 14.00 1.67 -3.13 1.61 -0.04 -1.26 -3.65 135.00 144.20 1dmy n PRO 83 Ca 0.00 -1.03 -0.38 0.00 -0.04 0.00 0.00 63.50 62.05 1dmy n PRO 83 Cb 0.00 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1dmy n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dmy s LEU 84 N -1.24 4.53 0.23 1.53 1.43 -0.39 -4.97 118.68 119.80 1dmy s LEU 84 Ca 0.25 1.44 0.25 0.00 -1.03 0.00 0.00 54.13 55.04 1dmy s LEU 84 Cb 0.13 -3.17 0.87 0.00 0.03 0.00 0.00 46.19 44.06 1dmy s LEU 84 CO 0.19 0.21 1.76 0.61 0.23 0.00 0.00 176.35 179.34 1dmy n GLY 85 N 1.50 -1.56 0.00 -3.19 0.00 -1.26 -4.47 105.19 96.21 1dmy n GLY 85 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1dmy n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dmy n ASN 86 N -2.27 0.00 -4.73 1.61 0.23 -1.26 -5.06 115.26 103.78 1dmy n ASN 86 Ca 0.04 -0.88 -0.41 0.00 -0.53 0.00 0.00 54.58 52.81 1dmy n ASN 86 Cb 0.36 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.02 1dmy n ASN 86 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1dmy s HIS 87 N -4.98 3.77 -0.15 -2.53 5.65 -1.26 -4.61 115.29 111.18 1dmy s HIS 87 Ca 0.00 1.76 -0.00 0.00 0.25 0.00 0.00 55.06 57.07 1dmy s HIS 87 Cb 0.00 -3.09 -0.01 0.00 -1.18 0.00 0.00 32.58 28.30 1dmy s HIS 87 CO 0.00 0.08 -0.13 0.71 -0.65 0.00 0.00 174.74 174.75 1dmy s TYR 88 N 0.08 2.82 0.04 3.88 1.51 0.28 -4.14 117.35 121.82 1dmy s TYR 88 Ca 0.48 -0.77 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 1dmy s TYR 88 Cb -0.24 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1dmy s TYR 88 CO 0.30 -0.31 0.96 1.03 -1.11 0.00 0.00 175.55 176.42 1dmy s ARG 89 N 0.58 4.60 0.25 -0.62 3.00 -0.11 -0.56 118.95 126.09 1dmy s ARG 89 Ca -0.08 1.40 -0.30 0.00 0.00 0.00 0.00 55.73 56.76 1dmy s ARG 89 Cb -0.16 -3.43 -0.11 0.00 0.00 0.00 0.00 34.95 31.26 1dmy s ARG 89 CO 0.03 0.05 1.53 -1.17 0.00 0.00 0.00 175.30 175.74 1dmy s LEU 90 N 0.64 4.37 0.00 2.53 2.96 -0.96 -1.09 118.68 127.13 1dmy s LEU 90 Ca 0.50 2.77 0.00 0.00 -0.22 0.00 0.00 54.13 57.18 1dmy s LEU 90 Cb -0.22 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1dmy s LEU 90 CO 0.28 -0.81 0.00 1.17 -1.32 0.00 0.00 176.35 175.67 1dmy n LYS 91 N 2.59 0.00 -3.83 1.98 3.00 -0.14 -4.38 118.16 117.38 1dmy n LYS 91 Ca 0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.33 1dmy n LYS 91 Cb 0.39 -0.56 0.01 0.00 0.00 0.00 0.00 35.03 34.88 1dmy n LYS 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1dmy s GLN 92 N -2.00 1.86 -0.18 1.64 1.03 -1.16 -0.79 119.66 120.06 1dmy s GLN 92 Ca 0.00 -1.17 -0.23 0.00 0.04 0.00 0.00 55.36 54.00 1dmy s GLN 92 Cb 0.00 0.54 0.06 0.00 0.03 0.00 0.00 33.01 33.64 1dmy s GLN 92 CO 0.00 -0.87 0.62 -0.59 -2.54 0.00 0.00 175.29 171.91 1dmy s PHE 93 N -2.55 -0.65 0.21 9.60 -0.12 -0.95 -0.91 117.98 122.60 1dmy s PHE 93 Ca 0.16 1.47 0.04 0.00 -0.05 0.00 0.00 56.93 58.55 1dmy s PHE 93 Cb -0.04 0.27 -0.02 0.00 -0.63 0.00 0.00 43.02 42.60 1dmy s PHE 93 CO 0.09 -0.40 0.20 -2.39 -0.05 0.00 0.00 175.22 172.66 1dmy n HIS 94 N 2.24 -0.58 -4.22 3.49 1.44 -0.36 -1.00 115.22 116.22 1dmy n HIS 94 Ca -0.15 -1.73 -0.13 0.00 -2.01 0.00 0.00 57.72 53.70 1dmy n HIS 94 Cb 0.56 0.21 -0.10 0.00 0.12 0.00 0.00 29.99 30.78 1dmy n HIS 94 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dmy s PHE 95 N -2.97 1.11 -0.02 -1.40 0.40 -1.24 -0.73 117.98 113.14 1dmy s PHE 95 Ca 0.24 -0.98 0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1dmy s PHE 95 Cb 0.01 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.92 1dmy s PHE 95 CO 0.17 -0.19 -0.04 -1.01 0.70 0.00 0.00 175.22 174.85 1dmy s HIS 96 N -3.64 0.53 0.23 0.36 3.76 -0.39 -4.58 115.29 111.55 1dmy s HIS 96 Ca 0.20 -0.11 -0.10 0.00 -0.15 0.00 0.00 55.06 54.91 1dmy s HIS 96 Cb 0.06 -0.43 -0.01 0.00 1.11 0.00 0.00 32.58 33.30 1dmy s HIS 96 CO 0.01 -0.08 0.38 1.67 -0.85 0.00 0.00 174.74 175.87 1dmy s TRP 97 N 0.37 0.54 0.48 1.40 -2.14 -1.22 -1.09 118.94 117.28 1dmy s TRP 97 Ca -0.04 -0.87 0.03 0.00 2.66 0.00 0.00 56.10 57.88 1dmy s TRP 97 Cb -0.08 -0.00 -0.03 0.00 -3.10 0.00 0.00 33.47 30.26 1dmy s TRP 97 CO -0.00 -0.88 0.05 0.20 -2.66 0.00 0.00 176.95 173.66 1dmy s GLY 98 N -3.04 2.80 0.11 3.67 0.00 -1.18 -1.71 107.32 107.98 1dmy s GLY 98 Ca 0.25 -1.02 0.15 0.00 0.00 0.00 0.00 44.72 44.10 1dmy s GLY 98 CO 0.08 -2.14 1.46 0.00 0.00 0.00 0.00 173.10 172.51 1dmy n ALA 99 N -1.24 1.45 -2.55 3.20 0.00 -1.26 -4.49 120.51 115.62 1dmy n ALA 99 Ca -0.13 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1dmy n ALA 99 Cb 0.67 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 1dmy n ALA 99 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dmy s THR 100 N -3.16 0.00 -1.46 0.00 -4.23 -1.26 -5.03 115.64 100.51 1dmy s THR 100 Ca 0.04 -1.80 0.23 0.00 -1.18 0.00 0.00 61.69 58.98 1dmy s THR 100 Cb 0.07 -2.48 0.42 0.00 1.34 0.00 0.00 72.50 71.85 1dmy s THR 100 CO 0.24 0.00 1.77 0.47 -0.54 0.00 0.00 174.62 176.56 1dmy n ASP 101 N -0.84 0.00 0.09 3.99 8.00 -1.26 -3.35 116.55 123.18 1dmy n ASP 101 Ca 0.02 -0.08 0.12 0.00 0.71 0.00 0.00 54.79 55.57 1dmy n ASP 101 Cb 0.63 -0.27 0.28 0.00 -0.02 0.00 0.00 41.12 41.74 1dmy n ASP 101 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1dmy h GLU 102 N 0.00 0.00 -3.18 -1.24 5.08 -1.93 -3.37 114.58 109.95 1dmy h GLU 102 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1dmy h GLU 102 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1dmy h GLU 102 CO 0.00 0.00 0.16 1.67 -1.00 0.00 0.00 179.01 179.84 1dmy s TRP 103 N -3.14 0.08 0.00 4.33 -2.14 -1.21 -4.76 118.94 112.09 1dmy s TRP 103 Ca 0.08 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.27 1dmy s TRP 103 Cb 0.12 0.62 0.00 0.00 -3.10 0.00 0.00 33.47 31.11 1dmy s TRP 103 CO 0.66 -1.30 0.00 0.41 -2.66 0.00 0.00 176.95 174.06 1dmy n GLY 104 N -0.48 1.13 3.77 3.67 0.00 -1.01 -3.10 105.19 109.17 1dmy n GLY 104 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1dmy n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dmy s SER 105 N 0.00 5.51 -0.13 1.61 1.04 0.76 -3.43 113.70 119.06 1dmy s SER 105 Ca 0.00 2.17 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 1dmy s SER 105 Cb 0.00 -2.58 -0.21 0.00 0.10 0.00 0.00 66.02 63.33 1dmy s SER 105 CO 0.00 -1.36 0.66 -0.33 0.98 0.00 0.00 173.24 173.18 1dmy h GLU 106 N 0.89 -0.01 -6.88 4.02 5.08 -1.90 -3.46 114.58 112.33 1dmy h GLU 106 Ca -0.49 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.40 1dmy h GLU 106 Cb 1.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1dmy h GLU 106 CO 0.56 0.78 0.25 -1.01 -1.00 0.00 0.00 179.01 178.59 1dmy s HIS 107 N -2.22 3.43 0.30 4.33 3.76 -1.26 -4.65 115.29 118.98 1dmy s HIS 107 Ca -0.15 1.51 0.11 0.00 -0.15 0.00 0.00 55.06 56.37 1dmy s HIS 107 Cb -0.02 -2.75 -0.05 0.00 1.11 0.00 0.00 32.58 30.86 1dmy s HIS 107 CO 0.56 0.05 -0.17 0.00 -0.85 0.00 0.00 174.74 174.34 1dmy s ALA 108 N -1.95 2.79 -0.25 -1.40 0.00 -1.15 -4.59 121.76 115.21 1dmy s ALA 108 Ca 0.56 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1dmy s ALA 108 Cb -0.12 -0.19 0.07 0.00 0.00 0.00 0.00 23.12 22.88 1dmy s ALA 108 CO 0.17 0.21 -0.02 0.08 0.00 0.00 0.00 175.76 176.20 1dmy s VAL 109 N -2.56 1.45 -1.40 0.00 1.01 0.40 -0.24 120.40 119.07 1dmy s VAL 109 Ca 0.31 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1dmy s VAL 109 Cb -0.03 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.58 1dmy s VAL 109 CO 0.15 -0.23 0.83 0.47 0.00 0.00 0.00 175.10 176.32 1dmy n ASP 110 N 4.68 -2.80 0.00 3.32 8.00 0.28 -1.41 116.55 128.62 1dmy n ASP 110 Ca -0.09 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1dmy n ASP 110 Cb 0.44 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 1dmy n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmy n GLY 111 N -1.64 3.06 3.73 0.44 0.00 -1.26 -5.02 105.19 104.50 1dmy n GLY 111 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 1dmy n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dmy s HIS 112 N -1.53 3.78 0.00 1.61 5.04 -0.50 -4.98 115.29 118.72 1dmy s HIS 112 Ca 0.00 1.75 0.05 0.00 -1.54 0.00 0.00 55.06 55.32 1dmy s HIS 112 Cb 0.00 -3.05 -0.03 0.00 0.04 0.00 0.00 32.58 29.54 1dmy s HIS 112 CO 0.00 0.17 -0.12 0.95 -2.34 0.00 0.00 174.74 173.40 1dmy s THR 113 N 0.20 3.22 0.45 0.89 -4.23 -1.26 -0.45 115.64 114.46 1dmy s THR 113 Ca 0.47 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 1dmy s THR 113 Cb -0.23 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1dmy s THR 113 CO 0.29 0.42 0.65 -0.31 -0.54 0.00 0.00 174.62 175.13 1dmy s TYR 114 N -0.91 3.10 0.49 3.99 2.02 -1.26 -4.71 117.35 120.06 1dmy s TYR 114 Ca 0.15 0.05 0.18 0.00 -0.37 0.00 0.00 57.07 57.08 1dmy s TYR 114 Cb -0.11 -2.35 1.21 0.00 -0.40 0.00 0.00 41.96 40.31 1dmy s TYR 114 CO 0.05 -0.40 2.03 -1.35 -1.57 0.00 0.00 175.55 174.30 1dmy h PRO 115 N 0.44 0.17 -2.65 -1.71 0.11 -1.73 0.22 132.00 126.86 1dmy h PRO 115 Ca -0.45 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.77 1dmy h PRO 115 Cb 1.26 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 1dmy h PRO 115 CO 0.54 0.11 0.39 0.00 -0.21 0.00 0.00 178.00 178.84 1dmy s ALA 116 N -5.19 -1.40 -0.09 -0.75 0.00 -1.25 -3.45 121.76 109.63 1dmy s ALA 116 Ca -0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 1dmy s ALA 116 Cb 0.19 0.72 0.03 0.00 0.00 0.00 0.00 23.12 24.07 1dmy s ALA 116 CO 0.72 -1.04 0.23 -2.00 0.00 0.00 0.00 175.76 173.68 1dmy s GLU 117 N -3.25 0.24 -0.15 0.00 2.12 -0.25 -1.71 118.70 115.71 1dmy s GLU 117 Ca 0.13 0.39 -0.07 0.00 0.36 0.00 0.00 54.97 55.79 1dmy s GLU 117 Cb -0.03 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1dmy s GLU 117 CO 0.05 -0.08 0.09 -1.17 -0.54 0.00 0.00 175.26 173.61 1dmy s LEU 118 N 0.56 4.02 -0.13 2.70 0.20 0.04 -1.27 118.68 124.80 1dmy s LEU 118 Ca -0.04 0.24 0.03 0.00 0.69 0.00 0.00 54.13 55.05 1dmy s LEU 118 Cb -0.05 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.73 1dmy s LEU 118 CO -0.03 0.29 -0.21 -1.00 -0.29 0.00 0.00 176.35 175.10 1dmy s HIS 119 N -0.31 2.58 -0.34 5.38 3.76 0.09 -1.49 115.29 124.96 1dmy s HIS 119 Ca 0.09 -1.28 -0.08 0.00 -0.15 0.00 0.00 55.06 53.64 1dmy s HIS 119 Cb -0.12 -1.76 0.03 0.00 1.11 0.00 0.00 32.58 31.84 1dmy s HIS 119 CO 0.01 -0.59 0.14 -0.51 -0.85 0.00 0.00 174.74 172.95 1dmy s LEU 120 N 0.81 4.38 -0.26 0.89 1.02 -0.73 -1.23 118.68 123.55 1dmy s LEU 120 Ca -0.08 -0.97 -0.16 0.00 0.02 0.00 0.00 54.13 52.94 1dmy s LEU 120 Cb -0.16 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 1dmy s LEU 120 CO -0.01 -0.32 0.42 -0.69 0.02 0.00 0.00 176.35 175.77 1dmy s VAL 121 N 1.49 5.14 0.17 -1.59 1.01 -0.09 -2.23 120.40 124.30 1dmy s VAL 121 Ca 0.01 0.68 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1dmy s VAL 121 Cb -0.19 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1dmy s VAL 121 CO 0.04 0.14 -0.24 -1.00 0.00 0.00 0.00 175.10 174.05 1dmy s HIS 122 N 2.07 2.34 0.09 5.22 3.76 -0.55 -0.97 115.29 127.24 1dmy s HIS 122 Ca 0.17 -0.35 0.07 0.00 -0.15 0.00 0.00 55.06 54.80 1dmy s HIS 122 Cb -0.16 -1.19 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 1dmy s HIS 122 CO 0.09 0.45 -0.18 1.67 -0.85 0.00 0.00 174.74 175.93 1dmy s TRP 123 N -1.49 1.52 -0.89 1.40 1.48 -0.25 -1.94 118.94 118.78 1dmy s TRP 123 Ca 0.19 -0.45 -0.25 0.00 -1.06 0.00 0.00 56.10 54.54 1dmy s TRP 123 Cb -0.09 -0.84 -0.03 0.00 -1.16 0.00 0.00 33.47 31.36 1dmy s TRP 123 CO 0.09 0.14 1.85 1.21 -4.06 0.00 0.00 176.95 176.19 1dmy s ASN 124 N -1.89 5.37 0.54 -2.66 3.84 0.73 -0.93 114.94 119.95 1dmy s ASN 124 Ca 0.03 -0.68 0.31 0.00 0.21 0.00 0.00 52.86 52.73 1dmy s ASN 124 Cb -0.10 -2.56 1.50 0.00 -0.55 0.00 0.00 41.25 39.54 1dmy s ASN 124 CO 0.03 -2.51 2.06 0.77 -2.79 0.00 0.00 177.10 174.66 1dmy h SER 125 N 11.42 0.00 0.11 -4.21 4.64 -1.80 -1.32 113.55 122.40 1dmy h SER 125 Ca 0.07 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 1dmy h SER 125 Cb 1.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.13 1dmy h SER 125 CO 1.24 0.09 -0.71 0.74 -0.87 0.00 0.00 176.83 177.33 1dmy h THR 126 N 0.00 1.53 0.00 2.95 2.02 -1.88 -3.38 112.91 114.15 1dmy h THR 126 Ca -0.00 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1dmy h THR 126 Cb 0.39 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1dmy h THR 126 CO 0.01 0.69 -0.80 1.17 0.37 0.00 0.00 175.52 176.97 1dmy n LYS 127 N -4.21 0.36 -4.18 6.66 4.81 -1.19 -4.93 118.16 115.47 1dmy n LYS 127 Ca -0.14 0.07 -0.19 0.00 -0.87 0.00 0.00 58.31 57.19 1dmy n LYS 127 Cb 0.76 -1.69 -0.12 0.00 0.02 0.00 0.00 35.03 34.00 1dmy n LYS 127 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1dmy s TYR 128 N -3.22 1.23 0.18 5.64 2.02 -0.50 -5.04 117.35 117.66 1dmy s TYR 128 Ca 0.04 -0.45 0.14 0.00 -0.37 0.00 0.00 57.07 56.43 1dmy s TYR 128 Cb 0.13 -0.69 0.41 0.00 -0.40 0.00 0.00 41.96 41.41 1dmy s TYR 128 CO 0.75 0.06 1.62 1.49 -1.57 0.00 0.00 175.55 177.90 1dmy h GLU 129 N 4.32 0.00 -2.88 -0.62 4.81 -1.86 -3.41 114.58 114.95 1dmy h GLU 129 Ca -0.41 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.88 1dmy h GLU 129 Cb 1.19 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.49 1dmy h GLU 129 CO 0.40 0.54 0.27 0.54 -0.73 0.00 0.00 179.01 180.04 1dmy s ASN 130 N -6.63 -0.35 0.31 1.04 2.20 -1.26 -5.06 114.94 105.18 1dmy s ASN 130 Ca -0.00 -0.36 0.01 0.00 -0.94 0.00 0.00 52.86 51.57 1dmy s ASN 130 Cb 0.11 0.64 0.55 0.00 -2.00 0.00 0.00 41.25 40.56 1dmy s ASN 130 CO 0.74 -1.14 1.92 0.22 -2.94 0.00 0.00 177.10 175.90 1dmy h TYR 131 N 2.00 1.01 0.03 1.54 3.20 -1.95 0.25 116.97 123.04 1dmy h TYR 131 Ca -0.24 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.65 1dmy h TYR 131 Cb 1.27 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1dmy h TYR 131 CO 0.35 0.54 -0.01 0.87 -1.64 0.00 0.00 178.16 178.27 1dmy h LYS 132 N 1.00 -0.03 -0.04 1.82 6.56 -2.00 0.06 116.57 123.94 1dmy h LYS 132 Ca 0.37 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.85 1dmy h LYS 132 Cb 0.18 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.83 1dmy h LYS 132 CO -0.13 0.00 -0.49 0.87 -2.06 0.00 0.00 179.45 177.64 1dmy h LYS 133 N -0.06 0.09 -0.13 3.15 1.57 -1.86 -3.14 116.57 116.19 1dmy h LYS 133 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1dmy h LYS 133 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1dmy h LYS 133 CO 0.01 0.56 -0.03 0.00 -0.57 0.00 0.00 179.45 179.42 1dmy h ALA 134 N 1.43 0.19 0.00 3.86 0.00 -0.18 -3.11 119.26 121.44 1dmy h ALA 134 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dmy h ALA 134 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1dmy h ALA 134 CO 0.07 -0.07 0.40 0.66 0.00 0.00 0.00 179.25 180.31 1dmy h SER 135 N -0.05 0.00 -0.00 0.00 4.64 -0.93 -1.41 113.55 115.79 1dmy h SER 135 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1dmy h SER 135 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1dmy h SER 135 CO 0.01 0.00 -0.00 1.33 -0.87 0.00 0.00 176.83 177.30 1dmy n VAL 136 N -2.84 0.00 -2.80 0.95 0.24 -1.23 -4.72 118.33 107.93 1dmy n VAL 136 Ca -0.02 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.57 1dmy n VAL 136 Cb 0.44 1.05 0.03 0.00 -1.47 0.00 0.00 33.84 33.89 1dmy n VAL 136 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1dmy s GLY 137 N -0.27 1.74 0.01 7.63 0.00 -0.53 -4.82 107.32 111.08 1dmy s GLY 137 Ca 0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 44.72 43.48 1dmy s GLY 137 CO 0.04 -1.02 0.59 1.18 0.00 0.00 0.00 173.10 173.88 1dmy n GLU 138 N -2.21 -0.03 -3.04 2.90 1.02 -1.26 -1.79 120.64 116.24 1dmy n GLU 138 Ca 0.05 0.59 -0.25 0.00 -0.02 0.00 0.00 57.16 57.53 1dmy n GLU 138 Cb 0.59 -0.87 -0.04 0.00 -0.02 0.00 0.00 31.44 31.09 1dmy n GLU 138 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1dmy n ASN 139 N -2.82 3.52 0.01 1.62 4.13 -1.26 -4.52 115.26 115.94 1dmy n ASN 139 Ca 0.00 -3.50 -0.19 0.00 1.68 0.00 0.00 54.58 52.58 1dmy n ASN 139 Cb 0.02 -0.58 -0.09 0.00 -1.54 0.00 0.00 39.78 37.58 1dmy n ASN 139 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1dmy h GLY 140 N 3.09 0.78 -2.75 7.41 0.00 -1.18 -3.41 103.07 107.01 1dmy h GLY 140 Ca 0.13 -1.24 -0.35 0.00 0.00 0.00 0.00 47.33 45.87 1dmy h GLY 140 CO 0.74 1.10 -0.71 1.08 0.00 0.00 0.00 176.54 178.75 1dmy s LEU 141 N -8.28 2.52 -0.08 3.11 1.43 -0.82 -0.19 118.68 116.37 1dmy s LEU 141 Ca -0.11 -1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1dmy s LEU 141 Cb 0.07 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1dmy s LEU 141 CO 0.90 -0.31 -0.04 0.00 0.23 0.00 0.00 176.35 177.13 1dmy s ALA 142 N -3.27 0.97 -0.15 4.21 0.00 -0.82 -1.35 121.76 121.35 1dmy s ALA 142 Ca 0.18 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1dmy s ALA 142 Cb 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1dmy s ALA 142 CO 0.02 -0.33 -0.20 0.08 0.00 0.00 0.00 175.76 175.32 1dmy s VAL 143 N 1.61 2.15 0.04 0.00 1.01 -0.75 -1.49 120.40 122.98 1dmy s VAL 143 Ca 0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1dmy s VAL 143 Cb -0.13 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.31 1dmy s VAL 143 CO -0.05 0.54 0.51 -0.63 0.00 0.00 0.00 175.10 175.47 1dmy s ILE 144 N 0.93 4.85 -0.08 2.22 1.01 -0.95 -0.83 121.20 128.36 1dmy s ILE 144 Ca -0.04 1.08 0.04 0.00 0.00 0.00 0.00 60.65 61.73 1dmy s ILE 144 Cb -0.15 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1dmy s ILE 144 CO -0.04 0.56 -0.20 -0.83 0.00 0.00 0.00 174.94 174.42 1dmy s GLY 145 N -1.05 1.15 -0.11 6.18 0.00 0.22 -1.78 107.32 111.92 1dmy s GLY 145 Ca 0.27 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1dmy s GLY 145 CO 0.17 -0.27 -0.18 0.14 0.00 0.00 0.00 173.10 172.96 1dmy s VAL 146 N 0.31 1.69 0.09 1.40 1.01 -0.56 -0.68 120.40 123.66 1dmy s VAL 146 Ca -0.14 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1dmy s VAL 146 Cb -0.16 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1dmy s VAL 146 CO 0.06 0.48 0.72 -0.36 0.00 0.00 0.00 175.10 176.00 1dmy s PHE 147 N 0.79 3.81 -0.12 5.22 0.08 -1.26 -0.78 117.98 125.71 1dmy s PHE 147 Ca -0.10 1.47 -0.06 0.00 0.12 0.00 0.00 56.93 58.36 1dmy s PHE 147 Cb -0.16 -2.72 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 1dmy s PHE 147 CO 0.01 0.43 0.09 -0.51 -0.10 0.00 0.00 175.22 175.14 1dmy s LEU 148 N -0.67 4.05 0.05 -0.37 1.02 -0.69 -0.58 118.68 121.49 1dmy s LEU 148 Ca 0.35 0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.83 1dmy s LEU 148 Cb -0.21 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 1dmy s LEU 148 CO 0.23 0.35 -0.10 -1.59 0.02 0.00 0.00 176.35 175.25 1dmy s LYS 149 N -0.68 0.65 0.09 1.70 -2.85 0.69 -3.79 119.74 115.56 1dmy s LYS 149 Ca 0.12 -0.83 -0.31 0.00 -1.00 0.00 0.00 55.97 53.96 1dmy s LYS 149 Cb -0.12 -0.52 -0.08 0.00 -2.06 0.00 0.00 37.83 35.04 1dmy s LYS 149 CO 0.02 0.11 1.56 -0.51 0.10 0.00 0.00 175.35 176.64 1dmy s LEU 150 N -1.61 4.36 0.00 2.77 1.02 -1.26 -0.91 118.68 123.05 1dmy s LEU 150 Ca -0.06 2.45 0.00 0.00 0.02 0.00 0.00 54.13 56.54 1dmy s LEU 150 Cb -0.10 -3.57 0.00 0.00 0.02 0.00 0.00 46.19 42.54 1dmy s LEU 150 CO 0.01 -0.82 0.00 0.61 0.02 0.00 0.00 176.35 176.17 1dmy n GLY 151 N 3.82 1.60 3.78 -3.19 0.00 0.15 -4.79 105.19 106.56 1dmy n GLY 151 Ca 0.14 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1dmy n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmy s ALA 152 N -1.00 2.57 0.30 4.61 0.00 -1.26 -3.70 121.76 123.28 1dmy s ALA 152 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1dmy s ALA 152 Cb 0.00 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 1dmy s ALA 152 CO 0.00 -1.09 1.57 -1.58 0.00 0.00 0.00 175.76 174.66 1dmy s HIS 153 N -2.31 2.76 -0.33 0.00 2.46 -1.26 -2.66 115.29 113.94 1dmy s HIS 153 Ca 0.67 0.84 -0.11 0.00 0.47 0.00 0.00 55.06 56.92 1dmy s HIS 153 Cb -0.20 -4.04 -0.01 0.00 -0.13 0.00 0.00 32.58 28.20 1dmy s HIS 153 CO 0.39 -3.46 0.20 -1.58 -2.47 0.00 0.00 174.74 167.81 1dmy s HIS 154 N -0.11 3.21 0.11 3.88 5.04 -1.26 -4.85 115.29 121.31 1dmy s HIS 154 Ca 0.62 -0.42 -0.23 0.00 -1.54 0.00 0.00 55.06 53.49 1dmy s HIS 154 Cb -0.47 -2.42 -0.09 0.00 0.04 0.00 0.00 32.58 29.64 1dmy s HIS 154 CO 0.49 -0.42 1.70 1.96 -2.34 0.00 0.00 174.74 176.13 1dmy h GLN 155 N 8.43 -0.12 0.00 2.88 1.08 -1.94 -2.50 115.11 122.94 1dmy h GLN 155 Ca -0.31 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 56.83 1dmy h GLN 155 Cb 1.15 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1dmy h GLN 155 CO 0.63 -0.08 -0.30 0.00 -0.95 0.00 0.00 178.83 178.14 1dmy h ALA 156 N 0.90 1.30 -0.10 3.87 0.00 -1.94 -2.79 119.26 120.49 1dmy h ALA 156 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1dmy h ALA 156 Cb 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1dmy h ALA 156 CO -0.11 0.37 -0.58 1.25 0.00 0.00 0.00 179.25 180.18 1dmy h LEU 157 N 0.00 0.37 -1.15 0.00 5.85 -1.85 -3.13 115.31 115.39 1dmy h LEU 157 Ca -0.00 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 58.68 1dmy h LEU 157 Cb 0.60 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 1dmy h LEU 157 CO 0.04 0.86 0.61 -0.61 -0.34 0.00 0.00 178.44 179.00 1dmy h GLN 158 N 0.25 0.73 -0.50 1.25 5.75 -1.16 0.15 115.11 121.57 1dmy h GLN 158 Ca -0.00 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.60 1dmy h GLN 158 Cb 1.09 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 1dmy h GLN 158 CO 0.09 0.48 0.36 0.87 -2.65 0.00 0.00 178.83 177.99 1dmy h LYS 159 N 0.75 0.00 0.09 1.69 1.57 -1.65 -0.83 116.57 118.20 1dmy h LYS 159 Ca 0.51 -0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.05 1dmy h LYS 159 Cb 0.79 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1dmy h LYS 159 CO -0.28 0.00 -1.23 -0.07 -0.57 0.00 0.00 179.45 177.31 1dmy h LEU 160 N 0.00 0.29 -0.99 2.94 3.38 -0.91 -3.36 115.31 116.66 1dmy h LEU 160 Ca 0.24 -0.82 0.18 0.00 0.09 0.00 0.00 57.88 57.56 1dmy h LEU 160 Cb 0.95 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.50 1dmy h LEU 160 CO -0.00 1.53 0.60 0.58 0.09 0.00 0.00 178.44 181.23 1dmy h VAL 161 N -0.47 0.73 0.00 1.22 2.07 -0.31 -2.32 116.25 117.16 1dmy h VAL 161 Ca -0.27 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1dmy h VAL 161 Cb 1.62 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1dmy h VAL 161 CO 0.02 0.14 -0.08 0.44 0.02 0.00 0.00 177.57 178.11 1dmy h ASP 162 N 0.77 0.00 -0.51 0.57 3.32 -1.34 -2.77 116.42 116.46 1dmy h ASP 162 Ca 0.56 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.61 1dmy h ASP 162 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1dmy h ASP 162 CO -0.37 0.08 0.00 1.33 -1.72 0.00 0.00 179.24 178.56 1dmy n VAL 163 N -4.19 0.67 -0.21 -1.35 0.24 -0.88 -4.46 118.33 108.15 1dmy n VAL 163 Ca -0.03 -0.82 -0.03 0.00 -2.04 0.00 0.00 64.34 61.42 1dmy n VAL 163 Cb 0.16 0.79 0.15 0.00 -1.47 0.00 0.00 33.84 33.47 1dmy n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1dmy h LEU 164 N 4.37 0.92 -2.36 1.34 3.38 -1.48 -2.61 115.31 118.86 1dmy h LEU 164 Ca 0.00 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1dmy h LEU 164 Cb 0.98 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1dmy h LEU 164 CO 0.00 0.82 0.19 -0.65 0.09 0.00 0.00 178.44 178.89 1dmy h PRO 165 N 0.98 0.00 0.00 1.13 0.11 -1.80 0.10 132.00 132.52 1dmy h PRO 165 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1dmy h PRO 165 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1dmy h PRO 165 CO -0.02 0.00 -0.13 0.39 -0.21 0.00 0.00 178.00 178.03 1dmy n GLU 166 N -3.39 0.13 -0.54 1.05 -0.58 -0.98 -3.93 120.64 112.39 1dmy n GLU 166 Ca -0.00 0.09 0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1dmy n GLU 166 Cb 0.28 -1.63 0.12 0.00 -0.57 0.00 0.00 31.44 29.64 1dmy n GLU 166 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1dmy n VAL 167 N -1.84 1.36 0.31 2.62 0.24 0.01 -4.62 118.33 116.41 1dmy n VAL 167 Ca 0.06 -1.99 0.20 0.00 -2.04 0.00 0.00 64.34 60.57 1dmy n VAL 167 Cb 0.38 0.09 0.99 0.00 -1.47 0.00 0.00 33.84 33.83 1dmy n VAL 167 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1dmy h ARG 168 N 0.48 0.00 -5.96 7.34 0.11 -1.65 -3.40 114.38 111.29 1dmy h ARG 168 Ca -0.04 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.40 1dmy h ARG 168 Cb 1.21 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.22 1dmy h ARG 168 CO 0.02 0.01 -0.54 -1.01 0.10 0.00 0.00 179.97 178.55 1dmy s HIS 169 N -4.03 3.39 0.30 4.08 3.76 -1.26 -1.26 115.29 120.26 1dmy s HIS 169 Ca -0.03 0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 1dmy s HIS 169 Cb 0.12 -1.75 -0.13 0.00 1.11 0.00 0.00 32.58 31.93 1dmy s HIS 169 CO 0.48 0.58 1.19 1.17 -0.85 0.00 0.00 174.74 177.30 1dmy n LYS 170 N 0.82 1.76 -0.80 1.40 4.81 -0.92 -2.20 118.16 123.03 1dmy n LYS 170 Ca -0.10 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1dmy n LYS 170 Cb 0.52 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1dmy n LYS 170 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmy n ASP 171 N 1.19 -0.61 -4.80 3.14 8.00 0.57 -4.71 116.55 119.32 1dmy n ASP 171 Ca 0.08 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.23 1dmy n ASP 171 Cb 0.33 -1.27 -0.05 0.00 -0.02 0.00 0.00 41.12 40.11 1dmy n ASP 171 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dmy s THR 172 N -2.45 4.05 0.05 -3.53 2.01 -0.94 -4.83 115.64 110.01 1dmy s THR 172 Ca 0.00 1.42 0.01 0.00 0.31 0.00 0.00 61.69 63.42 1dmy s THR 172 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1dmy s THR 172 CO 0.00 -0.14 -0.05 0.00 -0.69 0.00 0.00 174.62 173.74 1dmy s GLN 173 N -2.84 0.54 -0.01 4.92 0.00 -1.26 -1.28 119.66 119.73 1dmy s GLN 173 Ca 0.60 -0.92 0.00 0.00 -0.00 0.00 0.00 55.36 55.04 1dmy s GLN 173 Cb -0.16 -0.04 0.02 0.00 0.00 0.00 0.00 33.01 32.83 1dmy s GLN 173 CO 0.20 -0.03 0.01 0.54 0.00 0.00 0.00 175.29 176.01 1dmy s VAL 174 N -2.38 0.03 0.64 3.63 0.11 -0.23 -4.93 120.40 117.27 1dmy s VAL 174 Ca -0.04 0.10 -0.18 0.00 -2.93 0.00 0.00 61.98 58.93 1dmy s VAL 174 Cb -0.03 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1dmy s VAL 174 CO -0.03 0.07 1.25 0.00 -3.33 0.00 0.00 175.10 173.06 1dmy s ALA 175 N 0.63 2.39 0.12 1.54 0.00 -1.26 -1.05 121.76 124.13 1dmy s ALA 175 Ca -0.06 1.09 0.09 0.00 0.00 0.00 0.00 51.96 53.09 1dmy s ALA 175 Cb -0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1dmy s ALA 175 CO -0.02 -1.49 -0.23 -1.64 0.00 0.00 0.00 175.76 172.39 1dmy s MET 176 N -3.45 1.24 0.33 0.00 -1.94 0.26 -4.75 119.30 110.99 1dmy s MET 176 Ca 0.79 -1.26 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1dmy s MET 176 Cb -0.34 -1.57 0.06 0.00 2.01 0.00 0.00 34.83 35.00 1dmy s MET 176 CO 0.38 0.36 0.46 0.41 -0.01 0.00 0.00 175.02 176.62 1dmy n GLY 177 N 0.92 0.95 3.76 -0.03 0.00 -1.26 -4.55 105.19 104.98 1dmy n GLY 177 Ca -0.18 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1dmy n GLY 177 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1dmy s PRO 178 N -3.60 4.11 -0.15 1.61 0.02 -1.26 -4.70 135.00 131.04 1dmy s PRO 178 Ca 0.31 2.59 -0.08 0.00 0.02 0.00 0.00 61.00 63.84 1dmy s PRO 178 Cb -0.02 -3.01 0.05 0.00 0.02 0.00 0.00 34.50 31.55 1dmy s PRO 178 CO 0.20 -0.62 0.35 0.12 -0.33 0.00 0.00 177.00 176.73 1dmy s PHE 179 N -0.29 -0.51 -0.38 6.54 5.36 -0.45 -4.94 117.98 123.32 1dmy s PHE 179 Ca 0.61 1.11 -0.11 0.00 -0.96 0.00 0.00 56.93 57.57 1dmy s PHE 179 Cb -0.48 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.41 1dmy s PHE 179 CO 0.52 -0.31 0.22 0.34 -1.46 0.00 0.00 175.22 174.53 1dmy s ASP 180 N 1.39 5.78 0.55 6.13 2.15 -1.26 -4.28 116.67 127.13 1dmy s ASP 180 Ca -0.09 -0.97 0.25 0.00 0.43 0.00 0.00 52.55 52.16 1dmy s ASP 180 Cb -0.09 -2.04 1.47 0.00 -0.30 0.00 0.00 42.92 41.96 1dmy s ASP 180 CO -0.11 -0.39 2.07 -0.65 -0.17 0.00 0.00 175.17 175.92 1dmy h PRO 181 N 8.46 0.00 -0.28 4.34 0.11 -1.97 -1.15 132.00 141.51 1dmy h PRO 181 Ca -0.26 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.93 1dmy h PRO 181 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1dmy h PRO 181 CO 0.68 0.00 0.32 0.77 -0.21 0.00 0.00 178.00 179.56 1dmy h SER 182 N 0.00 0.00 0.50 -2.05 0.02 -1.96 0.46 113.55 110.52 1dmy h SER 182 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1dmy h SER 182 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1dmy h SER 182 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1dmy n LEU 184 N -1.57 0.83 -4.87 0.00 4.77 0.16 -4.82 117.00 111.50 1dmy n LEU 184 Ca 0.03 -0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 55.36 1dmy n LEU 184 Cb 0.17 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1dmy n LEU 184 CO 0.13 0.20 0.41 -0.04 -1.33 0.00 0.00 177.39 176.77 1dmy s MET 185 N -3.03 3.86 0.69 3.23 -1.94 -0.90 -4.89 119.30 116.32 1dmy s MET 185 Ca 0.08 0.52 -0.11 0.00 -1.71 0.00 0.00 55.69 54.47 1dmy s MET 185 Cb 0.16 -2.43 0.01 0.00 2.01 0.00 0.00 34.83 34.58 1dmy s MET 185 CO 0.83 0.06 1.06 -1.25 -0.01 0.00 0.00 175.02 175.71 1dmy s PRO 186 N -3.46 2.93 0.06 2.03 0.04 -1.26 -4.98 135.00 130.36 1dmy s PRO 186 Ca 0.52 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.31 1dmy s PRO 186 Cb -0.10 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 1dmy s PRO 186 CO 0.26 -1.11 1.58 0.00 0.04 0.00 0.00 177.00 177.77 1dmy h ALA 187 N -0.65 0.05 -2.48 8.56 0.00 -1.95 -3.41 119.26 119.38 1dmy h ALA 187 Ca -0.44 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.84 1dmy h ALA 187 Cb 1.21 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1dmy h ALA 187 CO 0.56 -0.36 0.62 0.00 0.00 0.00 0.00 179.25 180.08 1dmy n ARG 189 N 4.07 3.21 -2.00 0.00 5.12 -1.26 -4.69 116.66 121.11 1dmy n ARG 189 Ca 0.10 -3.02 -0.41 0.00 -1.93 0.00 0.00 57.85 52.59 1dmy n ARG 189 Cb 0.45 -2.01 -0.02 0.00 -1.16 0.00 0.00 32.46 29.72 1dmy n ARG 189 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1dmy s ASP 190 N -1.62 6.63 0.34 0.55 1.01 -1.26 -4.93 116.67 117.39 1dmy s ASP 190 Ca 0.48 2.72 0.00 0.00 0.71 0.00 0.00 52.55 56.47 1dmy s ASP 190 Cb 0.39 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1dmy s ASP 190 CO 0.10 -0.70 0.42 -0.72 0.21 0.00 0.00 175.17 174.47 1dmy s TYR 191 N -0.29 1.25 0.13 4.23 1.13 -1.26 -1.17 117.35 121.36 1dmy s TYR 191 Ca 0.57 -1.40 0.10 0.00 -1.41 0.00 0.00 57.07 54.94 1dmy s TYR 191 Cb -0.42 -0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 40.14 1dmy s TYR 191 CO 0.47 -1.06 -0.24 -1.58 -2.51 0.00 0.00 175.55 170.63 1dmy s TRP 192 N -3.18 2.11 0.05 -3.49 0.51 -0.41 -1.30 118.94 113.23 1dmy s TRP 192 Ca 0.33 -0.40 0.01 0.00 -2.12 0.00 0.00 56.10 53.93 1dmy s TRP 192 Cb 0.00 -1.13 -0.03 0.00 -0.81 0.00 0.00 33.47 31.50 1dmy s TRP 192 CO 0.22 0.30 -0.05 -0.08 -0.51 0.00 0.00 176.95 176.83 1dmy s THR 193 N -1.18 0.38 -0.18 2.01 -1.32 0.42 -1.45 115.64 114.31 1dmy s THR 193 Ca 0.12 -1.29 -0.34 0.00 -1.21 0.00 0.00 61.69 58.97 1dmy s THR 193 Cb -0.10 -0.83 0.14 0.00 -1.51 0.00 0.00 72.50 70.20 1dmy s THR 193 CO 0.06 -0.60 1.18 -0.72 -2.21 0.00 0.00 174.62 172.32 1dmy s TYR 194 N -2.20 -0.16 0.10 9.09 -0.85 -0.88 -2.37 117.35 120.08 1dmy s TYR 194 Ca -0.05 0.13 -0.29 0.00 -0.52 0.00 0.00 57.07 56.34 1dmy s TYR 194 Cb -0.04 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.75 1dmy s TYR 194 CO -0.03 -0.23 0.91 -2.14 -1.52 0.00 0.00 175.55 172.54 1dmy s PRO 195 N -2.25 4.65 0.00 -3.49 0.02 -1.26 -0.29 135.00 132.37 1dmy s PRO 195 Ca 0.08 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.45 1dmy s PRO 195 Cb -0.01 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 31.14 1dmy s PRO 195 CO -0.05 0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.27 1dmy n GLY 196 N 2.27 4.68 3.39 0.52 0.00 0.71 -4.72 105.19 112.04 1dmy n GLY 196 Ca 0.01 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 1dmy n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dmy s SER 197 N 1.31 2.20 0.42 1.61 1.04 -1.01 -2.77 113.70 116.50 1dmy s SER 197 Ca 0.00 -1.75 -0.24 0.00 0.48 0.00 0.00 55.95 54.44 1dmy s SER 197 Cb 0.00 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.61 1dmy s SER 197 CO 0.00 -1.03 1.07 -0.76 0.98 0.00 0.00 173.24 173.50 1dmy s LEU 198 N -3.48 4.09 -0.05 2.42 1.43 0.21 -4.46 118.68 118.84 1dmy s LEU 198 Ca 0.33 2.08 0.15 0.00 -1.03 0.00 0.00 54.13 55.66 1dmy s LEU 198 Cb 0.02 -4.22 0.52 0.00 0.03 0.00 0.00 46.19 42.53 1dmy s LEU 198 CO 0.22 -0.59 1.41 0.35 0.23 0.00 0.00 176.35 177.97 1dmy n THR 199 N -0.21 1.10 -4.11 5.49 -2.24 -1.26 -4.29 114.28 108.74 1dmy n THR 199 Ca 0.06 -0.81 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 1dmy n THR 199 Cb 0.50 0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 1dmy n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1dmy s THR 200 N -1.56 0.37 0.44 4.28 -4.23 -1.26 -4.69 115.64 108.99 1dmy s THR 200 Ca 0.38 -1.83 -0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1dmy s THR 200 Cb 0.22 -1.54 -0.10 0.00 1.34 0.00 0.00 72.50 72.42 1dmy s THR 200 CO 0.21 -0.95 0.95 -2.65 -0.54 0.00 0.00 174.62 171.65 1dmy n PRO 201 N 0.10 1.22 0.00 3.99 -0.02 -1.26 -0.87 135.00 138.15 1dmy n PRO 201 Ca -0.14 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 1dmy n PRO 201 Cb 0.61 -1.99 0.45 0.00 -0.02 0.00 0.00 33.50 32.54 1dmy n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1dmy n PRO 202 N 0.09 0.81 -2.82 0.52 -0.04 -1.26 -4.96 135.00 127.34 1dmy n PRO 202 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 1dmy n PRO 202 Cb 0.40 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1dmy n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1dmy n LEU 203 N -0.79 -2.46 -4.75 1.53 4.77 -0.05 -4.94 117.00 110.31 1dmy n LEU 203 Ca 0.11 -0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.52 1dmy n LEU 203 Cb 0.05 -2.92 0.03 0.00 -2.33 0.00 0.00 43.42 38.25 1dmy n LEU 203 CO 0.08 0.10 0.90 0.00 -1.33 0.00 0.00 177.39 177.14 1dmy s ALA 204 N -3.13 2.74 -1.14 -1.18 0.00 -1.26 -4.38 121.76 113.42 1dmy s ALA 204 Ca 0.21 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1dmy s ALA 204 Cb -0.09 -3.48 0.25 0.00 0.00 0.00 0.00 23.12 19.79 1dmy s ALA 204 CO 0.26 -1.14 1.98 0.39 0.00 0.00 0.00 175.76 177.25 1dmy n GLU 205 N -1.12 5.05 -0.09 0.00 1.02 -1.26 -0.62 120.64 123.61 1dmy n GLU 205 Ca 0.11 -4.23 0.07 0.00 -0.02 0.00 0.00 57.16 53.09 1dmy n GLU 205 Cb 0.47 -2.54 0.12 0.00 -0.02 0.00 0.00 31.44 29.47 1dmy n GLU 205 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1dmy n SER 206 N 0.75 2.61 -4.78 1.62 3.41 -1.21 -4.82 113.62 111.20 1dmy n SER 206 Ca 0.50 -1.76 -0.36 0.00 -0.26 0.00 0.00 58.87 56.99 1dmy n SER 206 Cb 0.26 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.02 1dmy n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dmy s VAL 207 N -1.13 5.15 -0.31 -3.33 1.01 -1.12 -1.95 120.40 118.73 1dmy s VAL 207 Ca 0.22 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1dmy s VAL 207 Cb 0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1dmy s VAL 207 CO 0.19 0.56 0.18 -0.89 0.00 0.00 0.00 175.10 175.14 1dmy s THR 208 N -0.52 4.94 -0.11 3.92 2.01 -0.46 -0.20 115.64 125.22 1dmy s THR 208 Ca 0.11 -0.21 -0.17 0.00 0.31 0.00 0.00 61.69 61.73 1dmy s THR 208 Cb -0.12 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1dmy s THR 208 CO 0.02 0.11 0.44 0.26 -0.69 0.00 0.00 174.62 174.76 1dmy s TRP 209 N 1.68 3.53 -0.26 4.92 0.52 0.60 -1.80 118.94 128.13 1dmy s TRP 209 Ca 0.06 0.86 0.01 0.00 0.02 0.00 0.00 56.10 57.05 1dmy s TRP 209 Cb -0.17 -2.50 0.07 0.00 -1.15 0.00 0.00 33.47 29.73 1dmy s TRP 209 CO 0.08 0.23 -0.03 0.42 0.02 0.00 0.00 176.95 177.67 1dmy s ILE 210 N 0.41 1.60 -0.15 2.03 1.01 -0.01 -2.06 121.20 124.03 1dmy s ILE 210 Ca 0.24 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 1dmy s ILE 210 Cb -0.15 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1dmy s ILE 210 CO 0.10 -0.22 -0.09 -0.69 0.00 0.00 0.00 174.94 174.04 1dmy s VAL 211 N 1.34 3.37 0.07 2.92 1.01 -0.53 0.69 120.40 129.26 1dmy s VAL 211 Ca -0.02 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1dmy s VAL 211 Cb -0.19 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1dmy s VAL 211 CO -0.08 0.50 0.90 -1.10 0.00 0.00 0.00 175.10 175.32 1dmy s GLN 212 N 0.50 4.61 0.18 2.72 1.11 0.14 -1.29 119.66 127.63 1dmy s GLN 212 Ca -0.07 1.32 -0.10 0.00 0.01 0.00 0.00 55.36 56.53 1dmy s GLN 212 Cb -0.15 -3.39 0.08 0.00 -1.01 0.00 0.00 33.01 28.54 1dmy s GLN 212 CO 0.04 0.18 1.67 -0.22 0.01 0.00 0.00 175.29 176.97 1dmy h LYS 213 N 5.85 1.06 -5.65 2.91 3.64 -1.48 -3.42 116.57 119.48 1dmy h LYS 213 Ca -0.43 -0.30 -0.60 0.00 -1.27 0.00 0.00 60.65 58.05 1dmy h LYS 213 Cb 1.21 -0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.81 1dmy h LYS 213 CO 0.72 0.99 0.32 0.99 -2.27 0.00 0.00 179.45 180.20 1dmy s THR 214 N -5.17 4.90 0.58 1.00 2.01 -1.26 -5.01 115.64 112.70 1dmy s THR 214 Ca -0.12 1.32 -0.15 0.00 0.31 0.00 0.00 61.69 63.05 1dmy s THR 214 Cb 0.14 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1dmy s THR 214 CO 0.85 -0.04 1.04 -2.16 -0.69 0.00 0.00 174.62 173.61 1dmy s PRO 215 N 2.69 3.46 -0.17 4.92 0.04 -1.26 -4.62 135.00 140.06 1dmy s PRO 215 Ca 0.30 1.09 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 1dmy s PRO 215 Cb -0.15 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1dmy s PRO 215 CO 0.08 -0.68 0.08 0.08 0.04 0.00 0.00 177.00 176.60 1dmy s VAL 216 N -2.60 5.00 0.21 -0.36 1.01 0.25 -4.89 120.40 119.02 1dmy s VAL 216 Ca 0.61 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 1dmy s VAL 216 Cb -0.14 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1dmy s VAL 216 CO 0.38 0.49 0.79 -1.61 0.00 0.00 0.00 175.10 175.15 1dmy s GLU 217 N 0.07 4.48 0.04 2.72 2.02 -1.26 -0.22 118.70 126.56 1dmy s GLU 217 Ca 0.07 1.10 -0.03 0.00 0.02 0.00 0.00 54.97 56.13 1dmy s GLU 217 Cb -0.12 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 1dmy s GLU 217 CO 0.00 0.48 0.04 0.14 0.02 0.00 0.00 175.26 175.95 1dmy s VAL 218 N -1.32 0.15 0.52 2.63 -7.23 -0.09 -4.32 120.40 110.73 1dmy s VAL 218 Ca 0.40 -1.23 -0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1dmy s VAL 218 Cb -0.21 -0.93 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 1dmy s VAL 218 CO 0.24 -0.68 0.82 -0.94 -0.31 0.00 0.00 175.10 174.24 1dmy s SER 219 N -2.21 6.03 0.16 4.85 1.04 -1.09 0.31 113.70 122.80 1dmy s SER 219 Ca -0.04 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.07 1dmy s SER 219 Cb -0.00 -2.05 0.07 0.00 0.10 0.00 0.00 66.02 64.14 1dmy s SER 219 CO -0.05 -0.74 1.73 -0.65 0.98 0.00 0.00 173.24 174.51 1dmy h PRO 220 N 0.10 0.20 -0.72 4.02 0.11 -1.94 -2.64 132.00 131.13 1dmy h PRO 220 Ca -0.46 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.78 1dmy h PRO 220 Cb 1.22 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1dmy h PRO 220 CO 0.61 0.13 0.48 0.66 -0.21 0.00 0.00 178.00 179.68 1dmy h SER 221 N 0.21 0.35 -0.12 -2.05 4.64 -1.98 0.19 113.55 114.79 1dmy h SER 221 Ca 0.17 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.33 1dmy h SER 221 Cb 0.18 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1dmy h SER 221 CO -0.21 0.19 -0.60 1.56 -0.87 0.00 0.00 176.83 176.89 1dmy h GLN 222 N 0.38 0.62 -0.33 4.77 4.20 -1.87 -3.17 115.11 119.71 1dmy h GLN 222 Ca 0.35 -0.51 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 1dmy h GLN 222 Cb 0.83 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1dmy h GLN 222 CO -0.10 1.13 -0.16 1.25 -0.67 0.00 0.00 178.83 180.27 1dmy h LEU 223 N 0.27 0.58 -0.89 1.46 6.46 -0.84 -2.91 115.31 119.44 1dmy h LEU 223 Ca -0.04 -0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1dmy h LEU 223 Cb 1.24 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.96 1dmy h LEU 223 CO 0.13 0.76 0.58 0.28 -0.62 0.00 0.00 178.44 179.57 1dmy h SER 224 N 0.53 0.97 -0.36 1.25 0.02 -0.72 -2.49 113.55 112.75 1dmy h SER 224 Ca 0.09 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1dmy h SER 224 Cb 0.59 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1dmy h SER 224 CO 0.04 0.66 0.25 0.24 -1.14 0.00 0.00 176.83 176.88 1dmy h MET 225 N 1.13 0.29 -0.79 3.45 2.86 -1.48 -0.20 114.93 120.19 1dmy h MET 225 Ca 0.36 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.98 1dmy h MET 225 Cb -0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 1dmy h MET 225 CO -0.12 0.19 0.52 0.74 1.06 0.00 0.00 176.91 179.30 1dmy h PHE 226 N 0.30 0.99 0.00 -0.22 -1.00 -1.52 -2.58 116.94 112.92 1dmy h PHE 226 Ca 0.16 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1dmy h PHE 226 Cb 0.24 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1dmy h PHE 226 CO -0.00 0.63 0.00 0.54 -1.61 0.00 0.00 178.31 177.87 1dmy n ARG 227 N -4.41 0.84 0.00 1.51 1.74 -0.09 -2.82 116.66 113.43 1dmy n ARG 227 Ca 0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.28 1dmy n ARG 227 Cb 0.03 -1.23 0.12 0.00 -1.02 0.00 0.00 32.46 30.35 1dmy n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1dmy n THR 228 N -0.73 0.00 -1.64 0.55 -2.24 -0.97 -4.62 114.28 104.63 1dmy n THR 228 Ca 0.09 -0.34 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1dmy n THR 228 Cb 0.04 1.20 0.09 0.00 -2.10 0.00 0.00 70.33 69.57 1dmy n THR 228 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1dmy s LEU 229 N -2.26 2.51 0.06 3.22 1.43 -1.13 -4.88 118.68 117.63 1dmy s LEU 229 Ca 0.24 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.53 1dmy s LEU 229 Cb 0.19 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1dmy s LEU 229 CO 0.45 -1.99 -0.13 -0.76 0.23 0.00 0.00 176.35 174.15 1dmy s LEU 230 N -5.74 2.25 0.21 1.79 1.02 -0.39 -0.44 118.68 117.38 1dmy s LEU 230 Ca 0.61 -0.57 0.12 0.00 0.02 0.00 0.00 54.13 54.31 1dmy s LEU 230 Cb -0.14 -0.45 -0.05 0.00 0.02 0.00 0.00 46.19 45.57 1dmy s LEU 230 CO 0.53 -0.08 1.37 -0.26 0.02 0.00 0.00 176.35 177.93 1dmy h PHE 231 N 4.47 0.00 -3.83 0.29 0.04 -0.15 -3.35 116.94 114.41 1dmy h PHE 231 Ca -0.39 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 59.90 1dmy h PHE 231 Cb 1.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.32 1dmy h PHE 231 CO 0.61 0.70 0.17 -1.54 -0.60 0.00 0.00 178.31 177.66 1dmy s SER 232 N -6.55 6.77 0.62 2.17 1.04 -1.23 -4.67 113.70 111.85 1dmy s SER 232 Ca 0.03 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1dmy s SER 232 Cb 0.09 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1dmy s SER 232 CO 0.78 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.32 1dmy n GLY 233 N -0.61 -0.08 3.76 7.32 0.00 -1.26 -2.16 105.19 112.16 1dmy n GLY 233 Ca 0.04 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1dmy n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dmy s ARG 234 N -2.43 4.60 0.00 1.61 0.52 -1.26 -3.35 118.95 118.65 1dmy s ARG 234 Ca 0.00 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 1dmy s ARG 234 Cb 0.00 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1dmy s ARG 234 CO 0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.89 1dmy n GLY 235 N 1.14 2.09 3.69 -3.53 0.00 -1.26 -5.00 105.19 102.32 1dmy n GLY 235 Ca -0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1dmy n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dmy s GLU 236 N 0.00 1.22 0.09 1.61 2.02 -1.21 -4.95 118.70 117.48 1dmy s GLU 236 Ca 0.00 1.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.88 1dmy s GLU 236 Cb 0.00 -1.78 -0.07 0.00 0.10 0.00 0.00 34.13 32.38 1dmy s GLU 236 CO 0.00 -2.37 1.35 -2.00 0.02 0.00 0.00 175.26 172.26 1dmy s GLU 237 N -4.77 4.34 -0.34 1.61 2.12 -1.26 -4.83 118.70 115.56 1dmy s GLU 237 Ca 0.64 2.00 -0.36 0.00 0.36 0.00 0.00 54.97 57.62 1dmy s GLU 237 Cb -0.20 -3.30 -0.12 0.00 0.26 0.00 0.00 34.13 30.77 1dmy s GLU 237 CO 0.58 -0.42 2.17 0.39 -0.54 0.00 0.00 175.26 177.44 1dmy n GLU 238 N 4.11 1.06 -3.98 4.30 1.02 -1.26 -4.79 120.64 121.10 1dmy n GLU 238 Ca 0.11 0.29 -0.32 0.00 -0.02 0.00 0.00 57.16 57.23 1dmy n GLU 238 Cb 0.43 -2.42 -0.14 0.00 -0.02 0.00 0.00 31.44 29.29 1dmy n GLU 238 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1dmy s ASP 239 N 7.06 4.80 0.31 1.62 2.15 -1.26 -5.03 116.67 126.32 1dmy s ASP 239 Ca 1.09 -2.23 -0.29 0.00 0.43 0.00 0.00 52.55 51.55 1dmy s ASP 239 Cb -0.89 -1.66 -0.13 0.00 -0.30 0.00 0.00 42.92 39.95 1dmy s ASP 239 CO 0.50 -0.39 1.33 0.52 -0.17 0.00 0.00 175.17 176.96 1dmy n VAL 240 N 4.18 1.66 -2.84 1.11 0.31 -1.26 0.53 118.33 122.02 1dmy n VAL 240 Ca 0.03 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 1dmy n VAL 240 Cb 0.41 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.77 1dmy n VAL 240 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1dmy s MET 241 N -1.40 3.30 0.04 5.55 1.75 0.41 -4.51 119.30 124.45 1dmy s MET 241 Ca 0.59 -1.12 -0.12 0.00 -1.25 0.00 0.00 55.69 53.80 1dmy s MET 241 Cb -0.59 -4.53 0.01 0.00 2.84 0.00 0.00 34.83 32.56 1dmy s MET 241 CO 0.58 -1.85 0.26 0.14 -0.65 0.00 0.00 175.02 173.50 1dmy s VAL 242 N 3.78 0.09 -1.02 10.11 -7.23 -1.26 -4.53 120.40 120.35 1dmy s VAL 242 Ca 0.28 -0.76 -0.06 0.00 -1.81 0.00 0.00 61.98 59.63 1dmy s VAL 242 Cb -0.11 -0.92 0.01 0.00 0.56 0.00 0.00 36.38 35.92 1dmy s VAL 242 CO 0.03 -0.42 0.77 0.59 -0.31 0.00 0.00 175.10 175.76 1dmy n ASN 243 N 0.64 -5.13 -2.24 4.85 3.02 -0.69 -4.83 115.26 110.88 1dmy n ASN 243 Ca -0.19 -0.35 -0.24 0.00 -0.03 0.00 0.00 54.58 53.77 1dmy n ASN 243 Cb 0.59 -3.78 0.01 0.00 -0.61 0.00 0.00 39.78 35.98 1dmy n ASN 243 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1dmy n ASN 244 N -1.68 6.68 -4.50 6.41 0.23 -1.05 -4.89 115.26 116.46 1dmy n ASN 244 Ca -0.01 -3.25 -0.26 0.00 -0.53 0.00 0.00 54.58 50.53 1dmy n ASN 244 Cb 0.55 -1.12 -0.10 0.00 -2.08 0.00 0.00 39.78 37.03 1dmy n ASN 244 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1dmy s TYR 245 N -2.14 2.45 0.08 -2.53 -0.85 -1.26 -4.67 117.35 108.42 1dmy s TYR 245 Ca 0.47 -0.29 -0.07 0.00 -0.52 0.00 0.00 57.07 56.66 1dmy s TYR 245 Cb 0.34 -1.17 -0.05 0.00 0.38 0.00 0.00 41.96 41.46 1dmy s TYR 245 CO -0.12 0.55 0.35 0.50 -1.52 0.00 0.00 175.55 175.31 1dmy s ARG 246 N -2.94 3.66 0.67 -3.49 3.52 -1.26 -5.07 118.95 114.04 1dmy s ARG 246 Ca 0.25 0.01 -0.14 0.00 -0.13 0.00 0.00 55.73 55.71 1dmy s ARG 246 Cb -0.08 -2.98 0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1dmy s ARG 246 CO 0.13 0.56 1.10 -1.25 -0.81 0.00 0.00 175.30 175.03 1dmy s PRO 247 N -2.11 2.78 0.30 5.12 0.04 -1.26 -4.73 135.00 135.14 1dmy s PRO 247 Ca 0.34 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.39 1dmy s PRO 247 Cb -0.13 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 1dmy s PRO 247 CO 0.20 -1.26 1.38 1.28 0.04 0.00 0.00 177.00 178.64 1dmy n LEU 248 N -2.61 3.55 -4.68 -3.56 4.32 -1.26 -4.35 117.00 108.41 1dmy n LEU 248 Ca 0.10 1.18 -0.25 0.00 -0.02 0.00 0.00 56.01 57.01 1dmy n LEU 248 Cb 0.52 -1.48 -0.07 0.00 -1.62 0.00 0.00 43.42 40.77 1dmy n LEU 248 CO 0.49 -0.38 -0.31 -1.10 -1.22 0.00 0.00 177.39 174.87 1dmy s GLN 249 N -1.21 2.44 0.26 3.23 -1.52 0.12 -4.96 119.66 118.02 1dmy s GLN 249 Ca 0.61 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 52.55 1dmy s GLN 249 Cb -0.58 -2.34 -0.09 0.00 -0.22 0.00 0.00 33.01 29.78 1dmy s GLN 249 CO 0.56 0.43 1.14 -1.25 -0.25 0.00 0.00 175.29 175.92 1dmy s PRO 250 N -3.22 4.58 0.39 2.91 0.04 -1.26 -4.42 135.00 134.01 1dmy s PRO 250 Ca 0.29 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.26 1dmy s PRO 250 Cb -0.08 -3.19 0.78 0.00 0.04 0.00 0.00 34.50 32.05 1dmy s PRO 250 CO 0.20 0.10 1.97 1.25 0.04 0.00 0.00 177.00 180.55 1dmy h LEU 251 N 4.15 0.38 0.00 -3.56 5.85 -1.92 -3.44 115.31 116.77 1dmy h LEU 251 Ca -0.46 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1dmy h LEU 251 Cb 1.21 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1dmy h LEU 251 CO 0.69 0.40 0.00 0.54 -0.34 0.00 0.00 178.44 179.73 1dmy n ARG 252 N -4.36 0.00 -2.07 1.25 5.12 -1.26 -2.94 116.66 112.40 1dmy n ARG 252 Ca 0.01 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 1dmy n ARG 252 Cb 0.18 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.50 1dmy n ARG 252 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1dmy n ASP 253 N 2.87 5.63 -4.85 0.55 8.00 -1.26 -5.01 116.55 122.48 1dmy n ASP 253 Ca 0.00 -3.76 -0.32 0.00 0.71 0.00 0.00 54.79 51.42 1dmy n ASP 253 Cb 0.00 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.46 1dmy n ASP 253 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1dmy s ARG 254 N -3.68 3.95 -0.54 -1.24 0.52 -1.15 -5.03 118.95 111.78 1dmy s ARG 254 Ca 0.52 0.62 -0.20 0.00 -0.52 0.00 0.00 55.73 56.15 1dmy s ARG 254 Cb 0.42 -2.43 0.06 0.00 0.52 0.00 0.00 34.95 33.53 1dmy s ARG 254 CO -0.12 0.12 0.71 -1.59 0.02 0.00 0.00 175.30 174.44 1dmy s LYS 255 N -3.15 3.14 -0.65 3.54 0.00 -1.26 -5.00 119.74 116.36 1dmy s LYS 255 Ca 0.53 -0.85 -0.23 0.00 0.00 0.00 0.00 55.97 55.43 1dmy s LYS 255 Cb -0.10 -4.12 0.07 0.00 0.00 0.00 0.00 37.83 33.67 1dmy s LYS 255 CO 0.20 -1.35 0.95 -1.17 0.00 0.00 0.00 175.35 173.99 1dmy s LEU 256 N 2.93 4.39 -0.02 2.77 2.96 -1.26 -4.56 118.68 125.90 1dmy s LEU 256 Ca 0.17 -0.95 -0.02 0.00 -0.22 0.00 0.00 54.13 53.11 1dmy s LEU 256 Cb -0.19 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1dmy s LEU 256 CO 0.12 -1.41 0.13 0.00 -1.32 0.00 0.00 176.35 173.87 1dmy s ARG 257 N 4.01 3.26 0.16 1.98 1.70 -1.00 -1.97 118.95 127.09 1dmy s ARG 257 Ca 0.22 -0.38 0.08 0.00 -0.47 0.00 0.00 55.73 55.18 1dmy s ARG 257 Cb -0.17 -2.99 -0.04 0.00 -0.57 0.00 0.00 34.95 31.18 1dmy s ARG 257 CO 0.11 0.67 -0.06 -1.54 -1.08 0.00 0.00 175.30 173.39 1dmy s SER 258 N -1.75 4.46 0.00 -2.89 1.04 -0.85 -0.44 113.70 113.28 1dmy s SER 258 Ca 0.24 -0.47 0.26 0.00 0.48 0.00 0.00 55.95 56.46 1dmy s SER 258 Cb -0.12 -0.85 0.72 0.00 0.10 0.00 0.00 66.02 65.87 1dmy s SER 258 CO 0.15 0.12 1.54 -1.54 0.98 0.00 0.00 173.24 174.49 1dmy n SER 259 N 0.14 1.21 -4.55 7.02 3.41 -0.42 -1.89 113.62 118.55 1dmy n SER 259 Ca -0.11 -1.05 -0.26 0.00 -0.26 0.00 0.00 58.87 57.20 1dmy n SER 259 Cb 0.55 0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.53 1dmy n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1dmy s PHE 260 N -2.42 2.33 0.00 7.33 -0.71 -1.26 -4.90 117.98 118.34 1dmy s PHE 260 Ca 0.26 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 1dmy s PHE 260 Cb 0.19 -1.49 0.00 0.00 -1.21 0.00 0.00 43.02 40.51 1dmy s PHE 260 CO 0.50 0.42 0.41 2.89 -1.34 0.00 0.00 175.22 178.09