#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1g s ASN 37 N 0.00 7.04 -0.60 6.12 -0.87 -1.26 -5.00 114.94 120.38 2k1g s ASN 37 Ca 0.00 1.95 -0.21 0.00 -1.57 0.00 0.00 52.86 53.03 2k1g s ASN 37 Cb 0.00 -2.57 0.07 0.00 -0.02 0.00 0.00 41.25 38.73 2k1g s ASN 37 CO 0.00 -0.55 0.82 -0.69 -2.57 0.00 0.00 177.10 174.12 2k1g s VAL 38 N 1.67 4.58 0.02 1.60 1.01 -1.26 -5.02 120.40 122.99 2k1g s VAL 38 Ca 0.58 -0.48 -0.33 0.00 0.00 0.00 0.00 61.98 61.76 2k1g s VAL 38 Cb -0.28 -4.54 -0.11 0.00 0.00 0.00 0.00 36.38 31.45 2k1g s VAL 38 CO 0.26 -1.19 1.85 0.47 0.00 0.00 0.00 175.10 176.49 2k1g n ASP 39 N 6.99 3.68 -0.25 3.32 9.92 -1.26 -4.88 116.55 134.07 2k1g n ASP 39 Ca -0.05 0.98 0.05 0.00 -0.53 0.00 0.00 54.79 55.23 2k1g n ASP 39 Cb 0.45 -1.45 0.18 0.00 -0.64 0.00 0.00 41.12 39.66 2k1g n ASP 39 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2k1g h VAL 40 N 5.08 0.64 -0.79 2.53 2.07 -1.95 -0.22 116.25 123.60 2k1g h VAL 40 Ca -0.48 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2k1g h VAL 40 Cb 1.25 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2k1g h VAL 40 CO 0.94 0.08 0.53 0.50 0.02 0.00 0.00 177.57 179.63 2k1g h LYS 41 N 0.42 1.01 0.00 1.57 3.64 -1.91 -0.91 116.57 120.38 2k1g h LYS 41 Ca 0.41 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2k1g h LYS 41 Cb 0.63 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k1g h LYS 41 CO -0.41 0.67 0.00 0.43 -2.27 0.00 0.00 179.45 177.86 2k1g n SER 42 N -4.43 0.11 -0.13 4.20 7.64 -0.10 -0.62 113.62 120.29 2k1g n SER 42 Ca 0.09 0.54 -0.27 0.00 1.01 0.00 0.00 58.87 60.24 2k1g n SER 42 Cb 0.06 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.61 2k1g n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k1g n ARG 43 N -1.64 0.57 -0.26 1.43 5.12 -0.44 -3.97 116.66 117.47 2k1g n ARG 43 Ca 0.01 0.24 0.05 0.00 -1.93 0.00 0.00 57.85 56.21 2k1g n ARG 43 Cb 0.08 -1.44 0.18 0.00 -1.16 0.00 0.00 32.46 30.11 2k1g n ARG 43 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2k1g h ILE 44 N -0.86 0.72 0.00 0.55 2.04 -0.97 0.13 117.51 119.11 2k1g h ILE 44 Ca -0.66 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 2k1g h ILE 44 Cb 1.61 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2k1g h ILE 44 CO -0.38 0.09 -0.14 0.24 0.00 0.00 0.00 178.15 177.97 2k1g h MET 45 N 0.51 0.00 -0.23 2.37 2.86 -1.11 -1.49 114.93 117.84 2k1g h MET 45 Ca 0.41 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.01 2k1g h MET 45 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2k1g h MET 45 CO -0.36 0.14 0.02 0.22 1.06 0.00 0.00 176.91 177.98 2k1g h ASP 46 N 0.00 0.38 -0.24 1.22 3.58 -0.87 0.69 116.42 121.18 2k1g h ASP 46 Ca -0.00 -0.29 -0.14 0.00 0.42 0.00 0.00 57.03 57.02 2k1g h ASP 46 Cb 0.66 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 2k1g h ASP 46 CO 0.02 0.57 -0.40 1.56 -2.88 0.00 0.00 179.24 178.11 2k1g h GLN 47 N 0.17 0.70 -0.99 0.28 1.08 -1.46 -3.16 115.11 111.73 2k1g h GLN 47 Ca 0.07 -0.43 0.23 0.00 -1.45 0.00 0.00 58.65 57.07 2k1g h GLN 47 Cb 0.37 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 27.76 2k1g h GLN 47 CO 0.01 1.05 0.63 -0.92 -0.95 0.00 0.00 178.83 178.65 2k1g h TYR 48 N 0.42 0.71 -0.99 2.96 3.20 -1.12 0.23 116.97 122.38 2k1g h TYR 48 Ca 0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2k1g h TYR 48 Cb 1.00 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 2k1g h TYR 48 CO 0.08 0.13 0.64 0.00 -1.64 0.00 0.00 178.16 177.37 2k1g h ALA 49 N 1.62 1.34 0.00 1.82 0.00 -0.82 0.67 119.26 123.89 2k1g h ALA 49 Ca 0.55 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 2k1g h ALA 49 Cb 1.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2k1g h ALA 49 CO -0.28 0.48 -0.73 -0.44 0.00 0.00 0.00 179.25 178.29 2k1g h ASP 50 N 1.20 0.00 -0.27 0.00 3.32 -0.67 -3.14 116.42 116.86 2k1g h ASP 50 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 2k1g h ASP 50 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2k1g h ASP 50 CO -0.15 0.73 0.00 0.79 -1.72 0.00 0.00 179.24 178.89 2k1g n TRP 51 N -3.62 0.36 -1.55 4.55 7.02 -0.48 -4.89 117.44 118.82 2k1g n TRP 51 Ca -0.01 -0.18 -0.37 0.00 -1.02 0.00 0.00 57.50 55.92 2k1g n TRP 51 Cb 0.72 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.57 2k1g n TRP 51 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2k1g n LYS 52 N 0.66 1.07 0.00 -0.99 4.76 0.16 -1.63 118.16 122.19 2k1g n LYS 52 Ca 0.16 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2k1g n LYS 52 Cb 0.39 -3.31 0.00 0.00 -1.84 0.00 0.00 35.03 30.27 2k1g n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1g n GLY 53 N 6.02 0.65 3.74 0.72 0.00 -1.26 -5.08 105.19 109.98 2k1g n GLY 53 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 2k1g n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 54 N -2.00 3.44 0.73 1.61 1.01 -0.65 -4.90 120.40 119.65 2k1g s VAL 54 Ca 0.00 1.19 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 2k1g s VAL 54 Cb 0.00 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.70 2k1g s VAL 54 CO 0.00 0.18 1.04 0.00 0.00 0.00 0.00 175.10 176.32 2k1g s ARG 55 N -0.13 1.98 -0.13 2.72 1.70 -1.26 -0.83 118.95 123.00 2k1g s ARG 55 Ca 0.55 -0.37 -0.06 0.00 -0.47 0.00 0.00 55.73 55.38 2k1g s ARG 55 Cb -0.34 -2.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.85 2k1g s ARG 55 CO 0.37 -1.38 0.09 -0.47 -1.08 0.00 0.00 175.30 172.83 2k1g s TYR 56 N -3.30 3.43 -0.08 5.89 6.14 -1.26 -1.29 117.35 126.88 2k1g s TYR 56 Ca 0.62 0.37 -0.00 0.00 0.64 0.00 0.00 57.07 58.70 2k1g s TYR 56 Cb -0.09 -1.94 0.02 0.00 0.42 0.00 0.00 41.96 40.37 2k1g s TYR 56 CO 0.45 0.56 -0.04 0.50 0.64 0.00 0.00 175.55 177.66 2k1g s ARG 57 N -0.69 1.06 -0.44 4.97 3.52 -0.50 -4.76 118.95 122.11 2k1g s ARG 57 Ca 0.12 -0.09 -0.27 0.00 -0.13 0.00 0.00 55.73 55.37 2k1g s ARG 57 Cb -0.12 -1.22 -0.05 0.00 -1.56 0.00 0.00 34.95 32.00 2k1g s ARG 57 CO 0.03 -0.24 2.21 -0.51 -0.81 0.00 0.00 175.30 175.98 2k1g s LEU 58 N 1.66 3.40 0.00 -0.88 1.43 -1.26 -1.88 118.68 121.15 2k1g s LEU 58 Ca 0.02 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2k1g s LEU 58 Cb -0.13 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.28 2k1g s LEU 58 CO -0.05 -2.49 0.00 0.61 0.23 0.00 0.00 176.35 174.65 2k1g n GLY 59 N 5.84 0.88 2.96 -3.19 0.00 -1.26 -5.08 105.19 105.34 2k1g n GLY 59 Ca 0.31 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 2k1g n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1g s GLY 60 N -2.61 0.45 -0.35 -0.02 0.00 -0.79 -5.08 107.32 98.91 2k1g s GLY 60 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 44.72 44.53 2k1g s GLY 60 CO 0.00 0.06 0.10 -0.56 0.00 0.00 0.00 173.10 172.70 2k1g s SER 61 N 0.36 4.38 0.00 1.64 0.01 -1.20 -1.71 113.70 117.18 2k1g s SER 61 Ca -0.05 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.12 2k1g s SER 61 Cb -0.09 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2k1g s SER 61 CO 0.00 -0.37 0.00 1.07 0.41 0.00 0.00 173.24 174.35 2k1g n THR 62 N 4.30 0.00 0.30 1.44 5.66 -0.85 -4.96 114.28 120.17 2k1g n THR 62 Ca 0.02 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.20 2k1g n THR 62 Cb 0.40 0.00 0.78 0.00 -1.55 0.00 0.00 70.33 69.97 2k1g n THR 62 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2k1g h LYS 63 N 0.00 0.00 0.00 1.09 1.57 -1.98 -0.61 116.57 116.64 2k1g h LYS 63 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k1g h LYS 63 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k1g h LYS 63 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2k1g n LYS 64 N -2.86 0.10 0.00 3.15 4.01 -1.26 -4.55 118.16 116.74 2k1g n LYS 64 Ca -0.00 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2k1g n LYS 64 Cb 0.21 -1.62 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k1g n GLY 65 N 1.24 1.17 3.63 0.72 0.00 -0.26 -4.74 105.19 106.94 2k1g n GLY 65 Ca 0.06 0.50 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 2k1g n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k1g s ILE 66 N 0.00 3.52 0.57 -0.61 1.10 -0.41 -2.00 121.20 123.36 2k1g s ILE 66 Ca 0.00 -1.50 0.08 0.00 -0.51 0.00 0.00 60.65 58.72 2k1g s ILE 66 Cb 0.00 -2.75 0.07 0.00 0.15 0.00 0.00 42.46 39.93 2k1g s ILE 66 CO 0.00 -0.10 0.67 1.51 -2.11 0.00 0.00 174.94 174.91 2k1g s ASP 67 N -2.87 4.94 0.08 4.50 -4.77 -0.70 -1.40 116.67 116.45 2k1g s ASP 67 Ca 0.26 -0.99 -0.27 0.00 -3.30 0.00 0.00 52.55 48.25 2k1g s ASP 67 Cb -0.09 0.35 -0.17 0.00 -1.09 0.00 0.00 42.92 41.93 2k1g s ASP 67 CO 0.17 -1.27 1.68 0.00 0.70 0.00 0.00 175.17 176.44 2k1g h SER 69 N -0.41 0.68 -0.17 0.00 0.02 -1.91 -3.25 113.55 108.53 2k1g h SER 69 Ca -0.04 -0.30 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2k1g h SER 69 Cb 0.31 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2k1g h SER 69 CO 0.07 1.00 0.05 1.23 -1.14 0.00 0.00 176.83 178.04 2k1g h GLY 70 N 1.00 0.20 0.78 -3.77 0.00 -1.80 -0.82 103.07 98.66 2k1g h GLY 70 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2k1g h GLY 70 CO 0.08 0.02 -0.32 -2.75 0.00 0.00 0.00 176.54 173.57 2k1g h PHE 71 N 0.13 -0.85 -0.95 5.60 3.57 -1.43 0.43 116.94 123.44 2k1g h PHE 71 Ca 0.07 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2k1g h PHE 71 Cb 0.04 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2k1g h PHE 71 CO -0.11 -0.48 0.63 -0.24 -2.23 0.00 0.00 178.31 175.88 2k1g h VAL 72 N -0.75 1.24 0.44 1.41 3.04 -1.60 -1.54 116.25 118.50 2k1g h VAL 72 Ca -0.04 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2k1g h VAL 72 Cb 0.63 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 29.74 2k1g h VAL 72 CO 0.01 0.24 -0.38 -0.61 -1.01 0.00 0.00 177.57 175.82 2k1g h GLN 73 N 1.29 -0.79 -0.28 4.17 4.15 -0.85 -2.71 115.11 120.10 2k1g h GLN 73 Ca 0.35 0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.87 2k1g h GLN 73 Cb -0.15 0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 2k1g h GLN 73 CO -0.07 -0.53 -0.02 0.00 -1.93 0.00 0.00 178.83 176.28 2k1g h ARG 74 N -0.82 0.05 -0.01 1.69 2.47 -0.68 -2.31 114.38 114.77 2k1g h ARG 74 Ca -0.04 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2k1g h ARG 74 Cb 0.71 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.97 2k1g h ARG 74 CO -0.02 0.04 -0.44 1.15 0.56 0.00 0.00 179.97 181.26 2k1g h THR 75 N 0.06 0.00 -0.37 2.04 2.02 -1.21 -1.27 112.91 114.18 2k1g h THR 75 Ca 0.13 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.19 2k1g h THR 75 Cb 0.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2k1g h THR 75 CO -0.24 0.00 -0.26 -0.26 0.37 0.00 0.00 175.52 175.13 2k1g h PHE 76 N -0.54 0.86 -0.19 3.16 -1.00 -1.44 -2.31 116.94 115.48 2k1g h PHE 76 Ca 0.01 -0.20 -0.17 0.00 2.81 0.00 0.00 57.97 60.42 2k1g h PHE 76 Cb 0.58 -0.20 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 2k1g h PHE 76 CO -0.50 0.93 -0.56 0.07 -1.61 0.00 0.00 178.31 176.64 2k1g h ARG 77 N 0.65 0.60 0.00 1.51 0.11 -1.23 0.18 114.38 116.20 2k1g h ARG 77 Ca 0.08 -0.38 -0.07 0.00 0.10 0.00 0.00 59.98 59.71 2k1g h ARG 77 Cb 0.77 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 2k1g h ARG 77 CO 0.06 1.00 -0.35 0.93 0.10 0.00 0.00 179.97 181.71 2k1g h GLU 78 N 0.45 0.00 0.00 0.08 4.39 -1.19 -2.65 114.58 115.66 2k1g h GLU 78 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k1g h GLU 78 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2k1g h GLU 78 CO 0.11 0.35 0.00 1.04 -1.16 0.00 0.00 179.01 179.35 2k1g n GLN 79 N -3.24 0.00 0.00 2.33 6.02 -0.88 -4.71 117.38 116.90 2k1g n GLN 79 Ca 0.02 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.32 2k1g n GLN 79 Cb 0.63 -0.68 0.26 0.00 1.02 0.00 0.00 30.24 31.47 2k1g n GLN 79 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2k1g n PHE 80 N -2.27 0.00 -1.01 1.08 3.72 -0.03 -4.92 117.46 114.03 2k1g n PHE 80 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k1g n PHE 80 Cb 0.00 -0.25 -0.00 0.00 -0.94 0.00 0.00 39.48 38.29 2k1g n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k1g n GLY 81 N 1.49 0.45 3.61 1.37 0.00 -0.71 -4.99 105.19 106.41 2k1g n GLY 81 Ca 0.06 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2k1g n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k1g s LEU 82 N -0.09 3.65 -1.29 0.99 2.96 -0.93 -4.83 118.68 119.14 2k1g s LEU 82 Ca 0.00 1.04 -0.18 0.00 -0.22 0.00 0.00 54.13 54.77 2k1g s LEU 82 Cb 0.00 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.19 2k1g s LEU 82 CO 0.00 -1.40 1.83 -1.84 -1.32 0.00 0.00 176.35 173.62 2k1g n GLU 83 N 7.96 2.90 -2.63 1.98 0.28 -1.26 -2.77 120.64 127.10 2k1g n GLU 83 Ca 0.17 -3.05 -0.38 0.00 -0.16 0.00 0.00 57.16 53.74 2k1g n GLU 83 Cb 0.47 -3.49 -0.05 0.00 1.43 0.00 0.00 31.44 29.80 2k1g n GLU 83 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k1g s LEU 84 N 4.86 4.36 0.00 -1.84 1.43 -1.26 -5.07 118.68 121.16 2k1g s LEU 84 Ca 0.55 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 55.51 2k1g s LEU 84 Cb 0.05 -3.93 0.22 0.00 0.03 0.00 0.00 46.19 42.56 2k1g s LEU 84 CO 0.07 -0.19 1.28 -0.81 0.23 0.00 0.00 176.35 176.92 2k1g n PRO 85 N 0.62 -1.30 0.02 1.29 -0.04 -1.26 -4.94 135.00 129.39 2k1g n PRO 85 Ca 0.02 -1.97 0.12 0.00 -0.04 0.00 0.00 63.50 61.63 2k1g n PRO 85 Cb 0.48 -1.33 0.24 0.00 -0.04 0.00 0.00 33.50 32.85 2k1g n PRO 85 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k1g n ARG 86 N -3.74 0.10 -4.97 0.54 3.00 -1.26 -4.82 116.66 105.50 2k1g n ARG 86 Ca 0.16 0.02 -0.32 0.00 -0.01 0.00 0.00 57.85 57.70 2k1g n ARG 86 Cb 0.56 -1.56 -0.14 0.00 0.00 0.00 0.00 32.46 31.32 2k1g n ARG 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2k1g s SER 87 N -3.39 3.78 0.28 0.55 0.15 -1.26 -4.64 113.70 109.16 2k1g s SER 87 Ca 0.09 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 2k1g s SER 87 Cb 0.16 -0.92 0.47 0.00 -1.71 0.00 0.00 66.02 64.02 2k1g s SER 87 CO 0.70 0.30 1.88 0.74 1.20 0.00 0.00 173.24 178.06 2k1g h THR 88 N 4.65 1.05 -0.28 6.45 2.02 -1.92 -2.08 112.91 122.80 2k1g h THR 88 Ca -0.40 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 2k1g h THR 88 Cb 1.16 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2k1g h THR 88 CO 0.50 0.20 -0.04 1.88 0.37 0.00 0.00 175.52 178.43 2k1g h TYR 89 N 1.11 0.45 -0.41 3.16 0.05 -1.95 -1.52 116.97 117.86 2k1g h TYR 89 Ca 0.43 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 59.04 2k1g h TYR 89 Cb 0.23 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2k1g h TYR 89 CO -0.00 0.48 -0.25 0.93 -1.05 0.00 0.00 178.16 178.27 2k1g h GLU 90 N 0.42 0.84 -0.04 4.88 5.08 -1.81 -2.90 114.58 121.05 2k1g h GLU 90 Ca 0.09 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 2k1g h GLU 90 Cb 0.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k1g h GLU 90 CO 0.01 1.00 -0.22 1.96 -1.00 0.00 0.00 179.01 180.76 2k1g h GLN 91 N 0.72 0.07 0.00 2.33 4.20 -0.98 -2.48 115.11 118.97 2k1g h GLN 91 Ca 0.09 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2k1g h GLN 91 Cb 0.79 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2k1g h GLN 91 CO 0.07 0.29 0.00 1.04 -0.67 0.00 0.00 178.83 179.56 2k1g n GLN 92 N -4.24 0.03 0.00 1.46 6.02 -0.65 -2.18 117.38 117.82 2k1g n GLN 92 Ca -0.02 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.42 2k1g n GLN 92 Cb 0.30 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.15 2k1g n GLN 92 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2k1g n GLU 93 N -1.44 1.84 -4.29 -1.09 1.02 -0.93 -4.94 120.64 110.82 2k1g n GLU 93 Ca 0.02 -1.50 -0.26 0.00 -0.02 0.00 0.00 57.16 55.40 2k1g n GLU 93 Cb 0.08 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 2k1g n GLU 93 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k1g s MET 94 N -2.19 2.11 0.15 3.49 0.23 -0.93 -5.04 119.30 117.12 2k1g s MET 94 Ca 0.25 -1.27 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 2k1g s MET 94 Cb 0.19 -2.17 0.00 0.00 -1.53 0.00 0.00 34.83 31.32 2k1g s MET 94 CO 0.41 0.43 0.00 0.41 -2.03 0.00 0.00 175.02 174.24 2k1g n GLY 95 N -0.06 -1.71 3.43 3.16 0.00 -1.26 -4.81 105.19 103.94 2k1g n GLY 95 Ca -0.10 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2k1g n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1g s LYS 96 N -1.76 1.57 0.56 1.61 -0.14 -1.23 -4.94 119.74 115.41 2k1g s LYS 96 Ca 0.00 -1.27 -0.16 0.00 -1.36 0.00 0.00 55.97 53.18 2k1g s LYS 96 Cb 0.00 -1.99 -0.06 0.00 -1.68 0.00 0.00 37.83 34.10 2k1g s LYS 96 CO 0.00 0.47 1.02 -1.54 -0.76 0.00 0.00 175.35 174.54 2k1g s SER 97 N -2.06 6.18 0.00 2.83 1.04 -1.26 -2.72 113.70 117.72 2k1g s SER 97 Ca 0.15 1.70 -0.08 0.00 0.48 0.00 0.00 55.95 58.20 2k1g s SER 97 Cb -0.10 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2k1g s SER 97 CO 0.07 -0.89 0.16 0.68 0.98 0.00 0.00 173.24 174.25 2k1g s VAL 98 N -2.53 0.08 0.65 5.02 -7.23 0.99 -4.94 120.40 112.44 2k1g s VAL 98 Ca 0.61 -0.67 0.04 0.00 -1.81 0.00 0.00 61.98 60.15 2k1g s VAL 98 Cb -0.13 -0.48 0.12 0.00 0.56 0.00 0.00 36.38 36.45 2k1g s VAL 98 CO 0.34 -0.37 0.90 -0.24 -0.31 0.00 0.00 175.10 175.42 2k1g n SER 99 N 1.39 1.66 -0.26 4.85 2.88 -1.26 -3.50 113.62 119.37 2k1g n SER 99 Ca -0.23 -2.29 0.06 0.00 -1.33 0.00 0.00 58.87 55.08 2k1g n SER 99 Cb 0.56 -0.54 0.19 0.00 -0.75 0.00 0.00 64.21 63.67 2k1g n SER 99 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2k1g h ARG 100 N 0.00 0.45 -0.14 -1.46 2.47 -2.00 0.43 114.38 114.13 2k1g h ARG 100 Ca -0.30 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 2k1g h ARG 100 Cb 1.21 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2k1g h ARG 100 CO 0.36 0.30 0.00 0.45 0.56 0.00 0.00 179.97 181.64 2k1g n SER 101 N -4.98 0.71 0.00 7.04 2.88 -1.26 -3.37 113.62 114.64 2k1g n SER 101 Ca 0.15 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.69 2k1g n SER 101 Cb 0.42 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k1g n ASN 102 N -0.11 0.14 -4.76 -3.46 5.03 0.12 -5.08 115.26 107.13 2k1g n ASN 102 Ca 0.04 -0.56 -0.39 0.00 0.87 0.00 0.00 54.58 54.54 2k1g n ASN 102 Cb 0.11 0.84 0.00 0.00 -1.02 0.00 0.00 39.78 39.71 2k1g n ASN 102 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2k1g s LEU 103 N -1.67 4.10 0.00 3.41 1.43 -1.05 -4.86 118.68 120.03 2k1g s LEU 103 Ca 0.00 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2k1g s LEU 103 Cb 0.00 -4.05 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2k1g s LEU 103 CO 0.00 -1.00 0.00 0.54 0.23 0.00 0.00 176.35 176.12 2k1g n ARG 104 N -0.23 1.94 -3.76 1.70 1.74 -1.26 -4.95 116.66 111.85 2k1g n ARG 104 Ca 0.06 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.78 2k1g n ARG 104 Cb 0.45 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.79 2k1g n ARG 104 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2k1g s THR 105 N 0.51 5.19 0.00 0.55 2.01 -1.26 -4.41 115.64 118.23 2k1g s THR 105 Ca 0.00 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2k1g s THR 105 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.12 2k1g s THR 105 CO 0.00 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 2k1g n GLY 106 N 3.98 0.71 3.77 4.40 0.00 0.46 -4.97 105.19 113.53 2k1g n GLY 106 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2k1g n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k1g s ASP 107 N -1.79 7.18 -0.37 1.61 1.11 -1.26 -4.30 116.67 118.85 2k1g s ASP 107 Ca 0.00 2.12 -0.20 0.00 0.18 0.00 0.00 52.55 54.65 2k1g s ASP 107 Cb 0.00 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.39 2k1g s ASP 107 CO 0.00 -0.20 0.62 -0.76 1.18 0.00 0.00 175.17 176.02 2k1g s LEU 108 N -1.80 4.32 -0.19 1.23 1.43 0.03 -1.29 118.68 122.40 2k1g s LEU 108 Ca 0.48 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 2k1g s LEU 108 Cb -0.27 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 2k1g s LEU 108 CO 0.34 -0.62 0.35 0.68 0.23 0.00 0.00 176.35 177.34 2k1g s VAL 109 N 2.69 5.24 -0.31 -1.59 -7.23 -0.62 -1.12 120.40 117.46 2k1g s VAL 109 Ca 0.23 0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 60.94 2k1g s VAL 109 Cb -0.14 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2k1g s VAL 109 CO 0.16 0.29 0.13 -0.76 -0.31 0.00 0.00 175.10 174.61 2k1g s LEU 110 N 1.08 4.05 0.11 1.32 1.43 0.43 -1.48 118.68 125.62 2k1g s LEU 110 Ca 0.18 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2k1g s LEU 110 Cb -0.14 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2k1g s LEU 110 CO 0.07 -0.20 0.06 -0.36 0.23 0.00 0.00 176.35 176.15 2k1g s PHE 111 N 1.57 3.08 -0.64 0.29 0.08 0.26 -0.94 117.98 121.69 2k1g s PHE 111 Ca 0.04 0.00 -0.23 0.00 0.12 0.00 0.00 56.93 56.86 2k1g s PHE 111 Cb -0.17 -1.55 0.06 0.00 -0.57 0.00 0.00 43.02 40.80 2k1g s PHE 111 CO 0.05 0.51 0.96 1.03 -0.10 0.00 0.00 175.22 177.67 2k1g s ARG 112 N -2.59 3.16 0.23 0.44 0.52 0.04 -0.81 118.95 119.94 2k1g s ARG 112 Ca 0.28 -0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 54.74 2k1g s ARG 112 Cb -0.11 -4.19 -0.05 0.00 0.52 0.00 0.00 34.95 31.12 2k1g s ARG 112 CO 0.21 -1.75 0.49 0.00 0.02 0.00 0.00 175.30 174.26 2k1g s ALA 113 N 4.07 3.69 -0.26 2.13 0.00 0.40 -4.90 121.76 126.89 2k1g s ALA 113 Ca 0.24 -0.57 0.19 0.00 0.00 0.00 0.00 51.96 51.82 2k1g s ALA 113 Cb -0.16 -2.23 0.14 0.00 0.00 0.00 0.00 23.12 20.87 2k1g s ALA 113 CO 0.12 0.41 1.41 0.78 0.00 0.00 0.00 175.76 178.48 2k1g h GLY 114 N 2.11 0.00 0.00 0.00 0.00 -1.97 -2.77 103.07 100.45 2k1g h GLY 114 Ca -0.47 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.66 2k1g h GLY 114 CO 0.68 0.00 -1.61 -1.26 0.00 0.00 0.00 176.54 174.35 2k1g n SER 115 N -3.10 1.94 -0.23 0.19 2.88 -1.26 -4.62 113.62 109.42 2k1g n SER 115 Ca 0.01 0.36 0.14 0.00 -1.33 0.00 0.00 58.87 58.05 2k1g n SER 115 Cb 0.65 -0.79 0.57 0.00 -0.75 0.00 0.00 64.21 63.89 2k1g n SER 115 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2k1g n THR 116 N -4.38 0.00 0.00 2.46 -2.24 -1.26 -4.96 114.28 103.90 2k1g n THR 116 Ca -0.31 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2k1g n THR 116 Cb 0.66 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2k1g n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1g n GLY 117 N 1.24 1.54 3.22 3.38 0.00 -1.04 -4.77 105.19 108.75 2k1g n GLY 117 Ca 0.16 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2k1g n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1g s ARG 118 N 0.00 3.07 -0.15 1.61 6.06 -1.26 -0.45 118.95 127.83 2k1g s ARG 118 Ca 0.00 -0.85 0.01 0.00 -2.50 0.00 0.00 55.73 52.39 2k1g s ARG 118 Cb 0.00 -2.37 0.00 0.00 0.06 0.00 0.00 34.95 32.64 2k1g s ARG 118 CO 0.00 0.12 -0.18 -1.58 -2.50 0.00 0.00 175.30 171.16 2k1g s HIS 119 N 0.50 2.73 -0.09 5.12 5.65 0.01 -4.84 115.29 124.37 2k1g s HIS 119 Ca -0.14 -1.20 -0.01 0.00 0.25 0.00 0.00 55.06 53.96 2k1g s HIS 119 Cb -0.17 -1.86 -0.03 0.00 -1.18 0.00 0.00 32.58 29.34 2k1g s HIS 119 CO 0.05 -0.55 -0.04 0.54 -0.65 0.00 0.00 174.74 174.09 2k1g s VAL 120 N 0.85 3.98 0.06 0.89 0.11 -1.26 -0.57 120.40 124.45 2k1g s VAL 120 Ca -0.05 -0.37 0.06 0.00 -2.93 0.00 0.00 61.98 58.69 2k1g s VAL 120 Cb -0.15 -2.66 -0.03 0.00 -1.53 0.00 0.00 36.38 32.01 2k1g s VAL 120 CO -0.02 0.59 -0.17 -0.83 -3.33 0.00 0.00 175.10 171.34 2k1g s GLY 121 N -0.67 0.98 -0.48 6.54 0.00 -0.55 -4.76 107.32 108.37 2k1g s GLY 121 Ca 0.10 -1.01 -0.24 0.00 0.00 0.00 0.00 44.72 43.57 2k1g s GLY 121 CO 0.02 -1.00 0.85 -0.42 0.00 0.00 0.00 173.10 172.55 2k1g s ILE 122 N -1.01 4.55 -0.31 0.90 1.01 -0.05 -1.59 121.20 124.71 2k1g s ILE 122 Ca 0.03 0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.80 2k1g s ILE 122 Cb -0.09 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 2k1g s ILE 122 CO 0.02 -0.86 1.89 -0.47 0.00 0.00 0.00 174.94 175.52 2k1g s TYR 123 N 3.54 1.67 -1.29 3.97 5.04 -0.41 -1.07 117.35 128.80 2k1g s TYR 123 Ca 0.31 0.61 0.17 0.00 -2.44 0.00 0.00 57.07 55.71 2k1g s TYR 123 Cb -0.12 -4.08 0.52 0.00 0.35 0.00 0.00 41.96 38.62 2k1g s TYR 123 CO 0.22 -3.19 1.44 0.44 -1.34 0.00 0.00 175.55 173.11 2k1g n ILE 124 N 7.49 1.23 -3.69 3.14 -5.35 0.56 -0.40 119.36 122.34 2k1g n ILE 124 Ca 0.24 -1.09 -0.00 0.00 -0.27 0.00 0.00 62.75 61.63 2k1g n ILE 124 Cb 0.46 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 2k1g n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k1g n GLY 125 N 0.96 0.88 0.18 3.28 0.00 -0.64 -4.88 105.19 104.98 2k1g n GLY 125 Ca 0.19 -0.94 0.14 0.00 0.00 0.00 0.00 46.02 45.41 2k1g n GLY 125 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k1g h ASN 126 N 0.48 0.00 0.00 1.61 2.35 -1.92 -3.35 115.58 114.75 2k1g h ASN 126 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2k1g h ASN 126 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2k1g h ASN 126 CO 0.08 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.40 2k1g n ASN 127 N -2.49 0.00 -4.83 5.81 0.23 -1.26 -5.01 115.26 107.72 2k1g n ASN 127 Ca 0.01 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 2k1g n ASN 127 Cb 0.20 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.84 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2k1g s GLN 128 N 0.00 4.08 -0.08 -3.83 -0.21 -1.26 -1.53 119.66 116.83 2k1g s GLN 128 Ca 0.00 0.62 -0.19 0.00 0.02 0.00 0.00 55.36 55.81 2k1g s GLN 128 Cb 0.00 -3.01 0.04 0.00 1.00 0.00 0.00 33.01 31.04 2k1g s GLN 128 CO 0.00 0.51 0.45 -0.59 -2.12 0.00 0.00 175.29 173.54 2k1g s PHE 129 N -1.37 -0.40 -0.13 0.91 -0.71 -0.09 -0.32 117.98 115.86 2k1g s PHE 129 Ca 0.36 0.81 -0.09 0.00 -1.04 0.00 0.00 56.93 56.97 2k1g s PHE 129 Cb -0.17 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2k1g s PHE 129 CO 0.19 -0.39 0.17 0.54 -1.34 0.00 0.00 175.22 174.39 2k1g s VAL 130 N -0.74 5.43 0.00 -2.49 0.11 -0.23 -0.64 120.40 121.84 2k1g s VAL 130 Ca -0.08 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2k1g s VAL 130 Cb -0.03 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2k1g s VAL 130 CO 0.04 0.56 0.00 0.00 -3.33 0.00 0.00 175.10 172.37 2k1g n HIS 131 N 2.46 -0.51 -3.79 1.54 1.44 0.07 -0.87 115.22 115.57 2k1g n HIS 131 Ca -0.18 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.27 2k1g n HIS 131 Cb 0.54 0.00 -0.17 0.00 0.12 0.00 0.00 29.99 30.48 2k1g n HIS 131 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k1g s ALA 132 N -1.20 1.04 0.15 1.59 0.00 -1.26 -0.50 121.76 121.58 2k1g s ALA 132 Ca 0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 2k1g s ALA 132 Cb 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.02 2k1g s ALA 132 CO 0.00 -0.86 0.52 -1.12 0.00 0.00 0.00 175.76 174.31 2k1g s SER 133 N 1.83 6.75 0.19 0.00 0.01 0.33 -4.73 113.70 118.09 2k1g s SER 133 Ca 0.01 1.00 -0.13 0.00 1.31 0.00 0.00 55.95 58.14 2k1g s SER 133 Cb -0.15 -2.26 0.21 0.00 0.21 0.00 0.00 66.02 64.03 2k1g s SER 133 CO -0.07 0.08 1.67 0.71 0.41 0.00 0.00 173.24 176.04 2k1g h THR 134 N 2.65 0.54 -0.39 1.44 1.35 -1.92 0.18 112.91 116.77 2k1g h THR 134 Ca -0.48 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2k1g h THR 134 Cb 1.19 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 2k1g h THR 134 CO 0.67 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 174.41 2k1g n SER 135 N -5.29 4.55 0.00 5.36 3.41 -1.26 -4.29 113.62 116.11 2k1g n SER 135 Ca 0.06 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 2k1g n SER 135 Cb 0.29 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2k1g n SER 135 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1g n SER 136 N -0.03 1.74 0.00 4.04 7.64 -0.81 -5.06 113.62 121.13 2k1g n SER 136 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2k1g n SER 136 Cb 0.99 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.48 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1g n GLY 137 N 1.04 -0.61 3.61 0.23 0.00 0.58 -4.78 105.19 105.26 2k1g n GLY 137 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 2k1g n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 138 N 0.00 4.00 0.28 1.61 1.01 -0.01 -0.51 120.40 126.78 2k1g s VAL 138 Ca 0.00 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.11 2k1g s VAL 138 Cb 0.00 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2k1g s VAL 138 CO 0.00 -0.68 0.25 2.30 0.00 0.00 0.00 175.10 176.97 2k1g n ILE 139 N 6.76 0.00 -4.99 2.22 -0.00 0.34 -4.56 119.36 119.14 2k1g n ILE 139 Ca 0.16 -2.05 -0.31 0.00 -0.00 0.00 0.00 62.75 60.55 2k1g n ILE 139 Cb 0.48 1.03 -0.15 0.00 -0.00 0.00 0.00 39.64 41.00 2k1g n ILE 139 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2k1g s ILE 140 N -3.13 2.22 0.35 7.28 1.01 -1.26 -0.75 121.20 126.90 2k1g s ILE 140 Ca 0.34 -1.27 0.07 0.00 0.00 0.00 0.00 60.65 59.78 2k1g s ILE 140 Cb 0.02 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2k1g s ILE 140 CO 0.24 0.43 0.26 -0.55 0.00 0.00 0.00 174.94 175.32 2k1g s SER 141 N -1.08 1.90 -0.01 3.58 0.15 0.19 -4.97 113.70 113.47 2k1g s SER 141 Ca 0.12 -1.76 0.01 0.00 0.70 0.00 0.00 55.95 55.01 2k1g s SER 141 Cb -0.10 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2k1g s SER 141 CO 0.01 -1.05 -0.03 -0.44 1.20 0.00 0.00 173.24 172.93 2k1g s SER 142 N -3.42 0.36 0.00 5.45 0.01 -1.26 -0.91 113.70 113.93 2k1g s SER 142 Ca 0.38 -0.05 0.15 0.00 1.31 0.00 0.00 55.95 57.73 2k1g s SER 142 Cb 0.02 -0.06 0.63 0.00 0.21 0.00 0.00 66.02 66.82 2k1g s SER 142 CO 0.26 0.02 1.46 0.23 0.41 0.00 0.00 173.24 175.62 2k1g n MET 143 N 3.15 0.02 0.00 12.44 2.81 -0.59 -1.66 117.12 133.29 2k1g n MET 143 Ca -0.14 0.24 0.13 0.00 -1.81 0.00 0.00 57.70 56.12 2k1g n MET 143 Cb 0.58 -1.50 0.59 0.00 -0.71 0.00 0.00 33.22 32.18 2k1g n MET 143 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2k1g n ASN 144 N -1.48 0.00 -4.74 7.83 3.02 -1.26 -2.94 115.26 115.68 2k1g n ASN 144 Ca 0.04 0.42 -0.41 0.00 -0.03 0.00 0.00 54.58 54.60 2k1g n ASN 144 Cb 0.17 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k1g s GLU 145 N -2.94 4.49 0.24 3.52 0.41 -0.66 -4.86 118.70 118.89 2k1g s GLU 145 Ca 0.15 1.93 -0.06 0.00 -0.41 0.00 0.00 54.97 56.57 2k1g s GLU 145 Cb 0.18 -3.21 0.43 0.00 -1.78 0.00 0.00 34.13 29.74 2k1g s GLU 145 CO 0.48 -0.08 1.69 -1.00 -0.49 0.00 0.00 175.26 175.87 2k1g h PRO 146 N 4.87 0.28 -0.40 0.39 0.13 -1.89 0.79 132.00 136.16 2k1g h PRO 146 Ca -0.45 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 2k1g h PRO 146 Cb 1.21 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2k1g h PRO 146 CO 0.73 0.18 0.07 -0.92 -0.23 0.00 0.00 178.00 177.83 2k1g h TYR 147 N 0.28 0.70 0.06 1.56 3.20 -1.95 -3.19 116.97 117.64 2k1g h TYR 147 Ca 0.39 -0.10 -0.25 0.00 3.14 0.00 0.00 58.73 61.92 2k1g h TYR 147 Cb 0.65 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2k1g h TYR 147 CO -0.25 0.69 -1.07 -1.49 -1.64 0.00 0.00 178.16 174.40 2k1g h TRP 148 N 0.51 0.57 -0.97 -3.82 4.06 -1.65 -3.12 115.95 111.54 2k1g h TRP 148 Ca 0.12 -0.35 0.14 0.00 2.06 0.00 0.00 58.89 60.86 2k1g h TRP 148 Cb 0.36 -0.05 -0.08 0.00 -1.00 0.00 0.00 29.16 28.39 2k1g h TRP 148 CO 0.02 1.21 0.61 -0.22 -3.56 0.00 0.00 178.44 176.51 2k1g h LYS 149 N 0.17 0.82 -0.04 0.49 3.64 -0.76 -0.68 116.57 120.21 2k1g h LYS 149 Ca -0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2k1g h LYS 149 Cb 1.74 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2k1g h LYS 149 CO 0.18 0.54 0.00 0.36 -2.27 0.00 0.00 179.45 178.26 2k1g n LYS 150 N -4.62 1.85 -0.01 1.90 2.85 -1.21 -3.92 118.16 115.00 2k1g n LYS 150 Ca 0.19 -1.24 0.10 0.00 -1.05 0.00 0.00 58.31 56.32 2k1g n LYS 150 Cb 0.44 -1.47 -0.15 0.00 -0.65 0.00 0.00 35.03 33.20 2k1g n LYS 150 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2k1g n ARG 151 N 0.50 0.56 -1.69 -1.58 5.12 -0.31 -4.98 116.66 114.28 2k1g n ARG 151 Ca 0.18 -0.15 -0.44 0.00 -1.93 0.00 0.00 57.85 55.50 2k1g n ARG 151 Cb 0.42 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.19 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2k1g n TYR 152 N -2.07 2.49 -0.03 -1.55 9.36 -0.92 -0.78 117.16 123.66 2k1g n TYR 152 Ca -0.02 0.17 -0.07 0.00 3.32 0.00 0.00 57.90 61.29 2k1g n TYR 152 Cb 0.50 -2.60 -0.02 0.00 -0.63 0.00 0.00 39.34 36.58 2k1g n TYR 152 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k1g n ASN 153 N 3.65 1.03 -3.70 2.98 5.15 -0.12 -4.88 115.26 119.37 2k1g n ASN 153 Ca 0.16 0.16 -0.05 0.00 -0.60 0.00 0.00 54.58 54.25 2k1g n ASN 153 Cb 0.32 -0.38 -0.02 0.00 -0.53 0.00 0.00 39.78 39.17 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k1g s GLU 154 N -2.25 1.17 0.03 1.20 -1.05 -1.17 -5.04 118.70 111.59 2k1g s GLU 154 Ca -0.12 -0.61 0.03 0.00 -0.15 0.00 0.00 54.97 54.12 2k1g s GLU 154 Cb 0.04 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2k1g s GLU 154 CO 0.16 -0.53 -0.09 0.00 0.95 0.00 0.00 175.26 175.75 2k1g s ALA 155 N -3.33 0.74 -0.05 -0.84 0.00 -1.23 -0.42 121.76 116.63 2k1g s ALA 155 Ca 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 2k1g s ALA 155 Cb -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2k1g s ALA 155 CO -0.00 0.10 0.09 1.03 0.00 0.00 0.00 175.76 176.98 2k1g s ARG 156 N -0.97 -0.04 -0.21 0.00 0.52 -0.28 -0.01 118.95 117.96 2k1g s ARG 156 Ca -0.02 0.41 -0.25 0.00 -0.52 0.00 0.00 55.73 55.35 2k1g s ARG 156 Cb -0.07 -0.42 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 2k1g s ARG 156 CO 0.00 -0.31 0.81 -0.98 0.02 0.00 0.00 175.30 174.85 2k1g s ARG 157 N 2.08 4.24 0.00 3.54 3.03 -1.10 -0.79 118.95 129.94 2k1g s ARG 157 Ca 0.03 0.95 0.22 0.00 2.03 0.00 0.00 55.73 58.96 2k1g s ARG 157 Cb -0.12 -3.61 0.55 0.00 -1.03 0.00 0.00 34.95 30.74 2k1g s ARG 157 CO -0.04 -0.41 1.45 1.33 -1.13 0.00 0.00 175.30 176.51 2k1g n VAL 158 N 4.97 0.38 -3.12 4.99 0.24 -1.26 -3.47 118.33 121.06 2k1g n VAL 158 Ca 0.04 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.34 61.34 2k1g n VAL 158 Cb 0.48 0.72 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 2k1g n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2k1g s LEU 159 N -1.51 4.46 0.00 1.34 1.43 -1.26 -4.86 118.68 118.29 2k1g s LEU 159 Ca 0.36 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2k1g s LEU 159 Cb 0.20 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.79 2k1g s LEU 159 CO 0.29 -0.73 0.53 -0.24 0.23 0.00 0.00 176.35 176.43 2k1g n SER 160 N 6.19 0.14 -4.49 2.29 2.88 -1.26 -5.07 113.62 114.30 2k1g n SER 160 Ca -0.02 -1.25 -0.36 0.00 -1.33 0.00 0.00 58.87 55.91 2k1g n SER 160 Cb 0.48 -0.40 -0.12 0.00 -0.75 0.00 0.00 64.21 63.42 2k1g n SER 160 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2k1g s ARG 161 N -4.09 3.72 -0.12 -1.46 6.06 -1.26 -5.09 118.95 116.70 2k1g s ARG 161 Ca 0.31 -0.46 -0.02 0.00 -2.50 0.00 0.00 55.73 53.06 2k1g s ARG 161 Cb -0.01 -3.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.72 2k1g s ARG 161 CO 0.21 -0.05 -0.05 -1.54 -2.50 0.00 0.00 175.30 171.37 2k1g s SER 162 N 1.23 4.72 0.34 -2.12 1.04 -1.26 -5.12 113.70 112.53 2k1g s SER 162 Ca 0.04 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2k1g s SER 162 Cb -0.14 -1.58 -0.01 0.00 0.10 0.00 0.00 66.02 64.39 2k1g s SER 162 CO 0.03 0.24 0.39 -1.48 0.98 0.00 0.00 173.24 173.40 2k1g s LEU 163 N -0.06 1.36 0.00 2.42 2.34 -1.26 -5.32 118.68 118.17 2k1g s LEU 163 Ca 0.01 -1.63 0.00 0.00 0.06 0.00 0.00 54.13 52.58 2k1g s LEU 163 Cb -0.13 1.05 0.00 0.00 -0.56 0.00 0.00 46.19 46.55 2k1g s LEU 163 CO 0.03 -1.20 0.39 -1.84 -1.06 0.00 0.00 176.35 172.67