#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 2.41 -0.38 7.83 4.22 -1.26 -5.09 114.94 122.68 2k1g s ASN 37 Ca 0.00 -1.51 -0.28 0.00 -2.14 0.00 0.00 52.86 48.93 2k1g s ASN 37 Cb 0.00 0.21 -0.01 0.00 1.28 0.00 0.00 41.25 42.72 2k1g s ASN 37 CO 0.00 -0.76 1.73 -0.69 -2.04 0.00 0.00 177.10 175.33 2k1g s VAL 38 N -3.32 3.55 -0.56 3.54 1.01 -1.26 -4.95 120.40 118.41 2k1g s VAL 38 Ca 0.31 0.54 -0.28 0.00 0.00 0.00 0.00 61.98 62.54 2k1g s VAL 38 Cb 0.06 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2k1g s VAL 38 CO 0.15 -0.55 1.18 -0.62 0.00 0.00 0.00 175.10 175.26 2k1g s ASP 39 N 5.88 6.48 0.21 3.32 2.15 -1.26 -4.91 116.67 128.54 2k1g s ASP 39 Ca 0.74 0.16 -0.10 0.00 0.43 0.00 0.00 52.55 53.79 2k1g s ASP 39 Cb -0.19 -2.55 0.29 0.00 -0.30 0.00 0.00 42.92 40.17 2k1g s ASP 39 CO 0.32 -1.44 1.71 0.58 -0.17 0.00 0.00 175.17 176.16 2k1g h VAL 40 N 6.17 0.66 -0.58 1.11 2.07 -1.92 -1.15 116.25 122.61 2k1g h VAL 40 Ca -0.25 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2k1g h VAL 40 Cb 1.06 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 2k1g h VAL 40 CO 1.18 0.05 0.36 0.50 0.02 0.00 0.00 177.57 179.68 2k1g h LYS 41 N 0.28 0.69 -0.51 1.57 3.11 -1.91 0.62 116.57 120.43 2k1g h LYS 41 Ca 0.31 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.08 2k1g h LYS 41 Cb 0.46 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 2k1g h LYS 41 CO -0.39 0.46 0.21 0.77 -2.81 0.00 0.00 179.45 177.69 2k1g h SER 42 N 0.72 0.70 -0.56 4.20 0.02 -1.82 -2.41 113.55 114.40 2k1g h SER 42 Ca 0.23 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2k1g h SER 42 Cb -0.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2k1g h SER 42 CO -0.09 0.67 0.05 0.03 -1.14 0.00 0.00 176.83 176.35 2k1g h ARG 43 N 0.68 0.99 0.21 3.45 2.47 -0.55 0.13 114.38 121.76 2k1g h ARG 43 Ca 0.17 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2k1g h ARG 43 Cb 0.19 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2k1g h ARG 43 CO -0.01 0.94 -0.10 0.82 0.56 0.00 0.00 179.97 182.18 2k1g h ILE 44 N 0.92 0.87 0.00 2.04 2.04 -0.83 -2.61 117.51 119.93 2k1g h ILE 44 Ca 0.18 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 2k1g h ILE 44 Cb 0.47 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2k1g h ILE 44 CO 0.02 0.10 -0.14 0.24 0.00 0.00 0.00 178.15 178.37 2k1g h MET 45 N -0.50 0.00 -0.18 2.37 2.86 -1.39 -0.70 114.93 117.40 2k1g h MET 45 Ca -0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2k1g h MET 45 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2k1g h MET 45 CO 0.05 0.14 0.10 0.22 1.06 0.00 0.00 176.91 178.48 2k1g h ASP 46 N 0.00 0.16 0.34 1.22 3.58 -0.51 -0.24 116.42 120.97 2k1g h ASP 46 Ca -0.00 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.21 2k1g h ASP 46 Cb 0.29 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.31 2k1g h ASP 46 CO 0.02 0.12 -1.02 -0.61 -2.88 0.00 0.00 179.24 174.87 2k1g h GLN 47 N 0.21 0.43 -0.92 0.28 5.75 -1.16 -3.15 115.11 116.55 2k1g h GLN 47 Ca 0.07 -0.50 0.15 0.00 -0.15 0.00 0.00 58.65 58.22 2k1g h GLN 47 Cb -0.00 0.15 -0.08 0.00 1.07 0.00 0.00 27.48 28.62 2k1g h GLN 47 CO -0.04 1.16 0.59 -0.92 -2.65 0.00 0.00 178.83 176.97 2k1g h TYR 48 N 0.22 0.86 -0.36 3.99 3.20 -0.98 0.37 116.97 124.28 2k1g h TYR 48 Ca -0.10 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.90 2k1g h TYR 48 Cb 1.67 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 2k1g h TYR 48 CO 0.07 0.30 0.41 0.00 -1.64 0.00 0.00 178.16 177.30 2k1g h ALA 49 N 1.60 2.03 0.14 1.82 0.00 -0.99 0.19 119.26 124.05 2k1g h ALA 49 Ca 0.47 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.03 2k1g h ALA 49 Cb 0.76 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k1g h ALA 49 CO -0.23 -0.60 -1.74 0.22 0.00 0.00 0.00 179.25 176.91 2k1g h ASP 50 N 0.00 0.47 0.15 0.00 3.58 -1.07 -3.36 116.42 116.19 2k1g h ASP 50 Ca 0.17 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.86 2k1g h ASP 50 Cb 0.99 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2k1g h ASP 50 CO -0.00 1.65 -0.11 0.79 -2.88 0.00 0.00 179.24 178.69 2k1g n TRP 51 N -3.49 0.00 -1.50 0.28 7.02 -0.11 -4.90 117.44 114.74 2k1g n TRP 51 Ca -0.23 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 55.80 2k1g n TRP 51 Cb 1.06 -0.08 -0.07 0.00 -2.42 0.00 0.00 31.31 29.81 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 -0.43 1.04 0.00 -0.99 5.02 0.47 -1.72 118.16 121.55 2k1g n LYS 52 Ca 0.16 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2k1g n LYS 52 Cb 0.32 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2k1g n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k1g n GLY 53 N 6.30 0.96 3.68 0.72 0.00 -1.24 -5.08 105.19 110.53 2k1g n GLY 53 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 3.36 1.02 1.61 1.01 -0.70 -4.85 120.40 119.86 2k1g s VAL 54 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 2k1g s VAL 54 Cb 0.00 -3.44 0.20 0.00 0.00 0.00 0.00 36.38 33.15 2k1g s VAL 54 CO 0.00 -0.02 1.09 -0.13 0.00 0.00 0.00 175.10 176.03 2k1g s ARG 55 N 3.11 0.23 -0.07 2.72 0.52 -1.26 -0.56 118.95 123.64 2k1g s ARG 55 Ca 0.72 0.53 -0.26 0.00 -0.52 0.00 0.00 55.73 56.20 2k1g s ARG 55 Cb -0.36 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 2k1g s ARG 55 CO 0.30 -2.87 0.82 -0.47 0.02 0.00 0.00 175.30 173.10 2k1g s TYR 56 N -2.92 3.56 -0.08 -0.53 5.04 -1.25 -0.60 117.35 120.58 2k1g s TYR 56 Ca 0.66 1.39 -0.02 0.00 -2.44 0.00 0.00 57.07 56.66 2k1g s TYR 56 Cb -0.19 -2.96 0.03 0.00 0.35 0.00 0.00 41.96 39.19 2k1g s TYR 56 CO 0.58 -0.02 0.02 0.50 -1.34 0.00 0.00 175.55 175.29 2k1g s ARG 57 N 1.20 0.40 -0.60 4.97 3.52 -0.84 -4.65 118.95 122.95 2k1g s ARG 57 Ca 0.42 0.13 -0.27 0.00 -0.13 0.00 0.00 55.73 55.88 2k1g s ARG 57 Cb -0.18 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 2k1g s ARG 57 CO 0.20 -0.36 1.56 -0.51 -0.81 0.00 0.00 175.30 175.38 2k1g s LEU 58 N 2.02 3.32 0.00 -0.88 1.02 -1.26 -1.24 118.68 121.66 2k1g s LEU 58 Ca 0.04 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.41 2k1g s LEU 58 Cb -0.13 -2.80 0.00 0.00 0.02 0.00 0.00 46.19 43.28 2k1g s LEU 58 CO -0.05 -1.97 0.00 0.61 0.02 0.00 0.00 176.35 174.96 2k1g n GLY 59 N 5.45 0.60 2.74 -3.19 0.00 -1.26 -5.02 105.19 104.51 2k1g n GLY 59 Ca 0.14 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.99 -0.06 -0.58 -0.02 0.00 -1.20 -5.07 107.32 97.41 2k1g s GLY 60 Ca 0.00 -0.20 -0.19 0.00 0.00 0.00 0.00 44.72 44.33 2k1g s GLY 60 CO 0.00 2.47 0.69 -1.35 0.00 0.00 0.00 173.10 174.91 2k1g s SER 61 N 2.34 6.19 0.31 1.64 1.04 -1.26 -3.55 113.70 120.41 2k1g s SER 61 Ca 0.09 -1.37 -0.18 0.00 0.48 0.00 0.00 55.95 54.97 2k1g s SER 61 Cb -0.15 -2.30 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2k1g s SER 61 CO -0.27 -1.08 0.71 0.28 0.98 0.00 0.00 173.24 173.86 2k1g s THR 62 N 2.65 0.00 -0.95 2.02 -1.32 -0.72 -5.03 115.64 112.29 2k1g s THR 62 Ca 0.12 -1.05 0.22 0.00 -1.21 0.00 0.00 61.69 59.76 2k1g s THR 62 Cb -0.24 -2.32 0.19 0.00 -1.51 0.00 0.00 72.50 68.62 2k1g s THR 62 CO 0.07 0.00 1.69 0.29 -2.21 0.00 0.00 174.62 174.46 2k1g n LYS 63 N -0.48 0.03 -0.02 7.08 4.76 -1.26 -2.18 118.16 126.09 2k1g n LYS 63 Ca -0.05 0.15 0.13 0.00 -2.87 0.00 0.00 58.31 55.68 2k1g n LYS 63 Cb 0.60 -1.54 0.46 0.00 -1.84 0.00 0.00 35.03 32.71 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k1g n LYS 64 N -1.59 1.75 0.00 1.97 4.01 -1.26 -4.80 118.16 118.24 2k1g n LYS 64 Ca 0.05 -1.09 0.00 0.00 -0.51 0.00 0.00 58.31 56.76 2k1g n LYS 64 Cb 0.26 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 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 1.19 4.16 3.57 0.72 0.00 -0.93 -4.67 105.19 109.23 2k1g n GLY 65 Ca 0.18 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.60 0.00 0.66 -0.61 2.07 0.23 -1.76 121.20 120.18 2k1g s ILE 66 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 2k1g s ILE 66 Cb 0.00 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.67 2k1g s ILE 66 CO 0.00 0.00 0.92 1.51 -1.91 0.00 0.00 174.94 175.46 2k1g s ASP 67 N -0.87 4.75 0.13 4.50 -4.77 -0.37 -1.98 116.67 118.05 2k1g s ASP 67 Ca -0.04 -0.10 -0.19 0.00 -3.30 0.00 0.00 52.55 48.92 2k1g s ASP 67 Cb -0.01 -0.51 -0.05 0.00 -1.09 0.00 0.00 42.92 41.25 2k1g s ASP 67 CO 0.04 -1.56 1.78 0.00 0.70 0.00 0.00 175.17 176.13 2k1g h SER 69 N 0.32 0.94 -0.62 0.00 0.02 -1.85 -1.98 113.55 110.36 2k1g h SER 69 Ca 0.09 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 2k1g h SER 69 Cb -0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 2k1g h SER 69 CO -0.02 0.89 0.04 1.23 -1.14 0.00 0.00 176.83 177.83 2k1g h GLY 70 N 0.93 1.16 1.00 -3.77 0.00 -1.69 -2.68 103.07 98.01 2k1g h GLY 70 Ca 0.21 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 2k1g h GLY 70 CO -0.01 0.76 -0.21 -2.75 0.00 0.00 0.00 176.54 174.34 2k1g h PHE 71 N 0.98 -0.53 -0.84 5.60 3.57 -0.31 -1.45 116.94 123.96 2k1g h PHE 71 Ca 0.18 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2k1g h PHE 71 Cb 0.51 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 2k1g h PHE 71 CO 0.04 -0.32 0.55 -0.24 -2.23 0.00 0.00 178.31 176.10 2k1g h VAL 72 N -0.59 1.13 0.24 1.41 3.04 -1.43 0.02 116.25 120.07 2k1g h VAL 72 Ca -0.06 -0.35 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 2k1g h VAL 72 Cb 0.45 0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 29.70 2k1g h VAL 72 CO 0.10 0.19 -0.42 -0.61 -1.01 0.00 0.00 177.57 175.81 2k1g h GLN 73 N 1.03 -0.71 -0.13 4.17 4.15 -1.24 -2.36 115.11 120.01 2k1g h GLN 73 Ca 0.34 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.79 2k1g h GLN 73 Cb 0.05 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2k1g h GLN 73 CO -0.10 -0.47 0.03 0.00 -1.93 0.00 0.00 178.83 176.35 2k1g h ARG 74 N -0.74 0.22 -0.29 1.69 2.47 -0.70 -1.78 114.38 115.24 2k1g h ARG 74 Ca -0.00 -0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.73 2k1g h ARG 74 Cb 0.71 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.94 2k1g h ARG 74 CO -0.17 0.39 -0.14 1.15 0.56 0.00 0.00 179.97 181.75 2k1g h THR 75 N 0.01 0.56 -0.32 2.04 2.02 -1.04 -0.51 112.91 115.68 2k1g h THR 75 Ca 0.04 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.06 2k1g h THR 75 Cb 0.27 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2k1g h THR 75 CO 0.00 0.00 -0.43 -0.26 0.37 0.00 0.00 175.52 175.20 2k1g h PHE 76 N -0.10 0.98 -0.16 3.16 -1.00 -1.40 -2.29 116.94 116.14 2k1g h PHE 76 Ca 0.15 -0.30 -0.12 0.00 2.81 0.00 0.00 57.97 60.51 2k1g h PHE 76 Cb 0.33 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 2k1g h PHE 76 CO -0.34 1.10 -0.41 0.07 -1.61 0.00 0.00 178.31 177.12 2k1g h ARG 77 N 0.66 0.36 -0.08 1.51 0.11 -0.29 0.39 114.38 117.04 2k1g h ARG 77 Ca 0.05 -0.18 -0.21 0.00 0.10 0.00 0.00 59.98 59.74 2k1g h ARG 77 Cb 1.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.08 2k1g h ARG 77 CO 0.10 0.71 -0.81 0.93 0.10 0.00 0.00 179.97 181.00 2k1g h GLU 78 N 0.30 0.53 0.00 0.08 5.08 -1.06 -3.08 114.58 116.43 2k1g h GLU 78 Ca 0.03 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2k1g h GLU 78 Cb 0.86 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k1g h GLU 78 CO 0.07 1.10 -1.09 1.04 -1.00 0.00 0.00 179.01 179.13 2k1g n GLN 79 N -3.85 0.52 0.00 2.33 1.13 -0.87 -4.65 117.38 112.00 2k1g n GLN 79 Ca -0.06 0.30 0.13 0.00 -1.94 0.00 0.00 57.00 55.43 2k1g n GLN 79 Cb 0.76 -1.51 0.30 0.00 0.11 0.00 0.00 30.24 29.90 2k1g n GLN 79 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2k1g n PHE 80 N -4.47 0.00 -1.53 1.08 3.72 0.11 -4.94 117.46 111.44 2k1g n PHE 80 Ca -0.18 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 2k1g n PHE 80 Cb 0.52 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 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 1.29 0.90 3.49 1.37 0.00 0.21 -4.94 105.19 107.52 2k1g n GLY 81 Ca 0.15 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.63 4.75 -0.44 0.99 2.96 -0.77 -4.83 118.68 118.72 2k1g s LEU 82 Ca 0.00 -0.64 -0.19 0.00 -0.22 0.00 0.00 54.13 53.08 2k1g s LEU 82 Cb 0.00 -2.14 0.03 0.00 0.50 0.00 0.00 46.19 44.58 2k1g s LEU 82 CO 0.00 -0.33 0.53 -1.61 -1.32 0.00 0.00 176.35 173.62 2k1g s GLU 83 N 1.69 3.14 0.13 1.98 2.02 -1.26 -1.34 118.70 125.07 2k1g s GLU 83 Ca 0.05 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2k1g s GLU 83 Cb -0.18 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2k1g s GLU 83 CO 0.10 -0.97 0.22 -0.51 0.02 0.00 0.00 175.26 174.11 2k1g s LEU 84 N 2.40 4.15 1.01 1.80 1.43 -1.26 -5.07 118.68 123.14 2k1g s LEU 84 Ca 0.15 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 2k1g s LEU 84 Cb -0.17 -2.75 0.19 0.00 0.03 0.00 0.00 46.19 43.50 2k1g s LEU 84 CO 0.14 0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.73 2k1g s PRO 85 N -3.03 0.35 0.00 1.29 0.04 -1.26 -4.75 135.00 127.64 2k1g s PRO 85 Ca 0.33 0.67 0.21 0.00 0.04 0.00 0.00 61.00 62.25 2k1g s PRO 85 Cb -0.11 -1.71 1.17 0.00 0.04 0.00 0.00 34.50 33.88 2k1g s PRO 85 CO 0.26 -2.83 1.76 2.89 0.04 0.00 0.00 177.00 179.13 2k1g n ARG 86 N -4.27 1.10 -5.09 4.56 1.85 -1.26 -4.66 116.66 108.89 2k1g n ARG 86 Ca 0.05 -0.15 -0.30 0.00 -1.00 0.00 0.00 57.85 56.46 2k1g n ARG 86 Cb 0.56 -1.33 -0.17 0.00 -1.05 0.00 0.00 32.46 30.47 2k1g n ARG 86 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2k1g s SER 87 N -1.64 2.75 0.20 2.89 0.15 -1.26 -4.33 113.70 112.45 2k1g s SER 87 Ca 0.31 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.38 2k1g s SER 87 Cb 0.15 -0.93 0.21 0.00 -1.71 0.00 0.00 66.02 63.73 2k1g s SER 87 CO 0.24 0.18 1.78 0.74 1.20 0.00 0.00 173.24 177.39 2k1g h THR 88 N 5.36 0.91 -0.63 6.45 2.02 -1.87 -1.76 112.91 123.40 2k1g h THR 88 Ca -0.28 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 66.76 2k1g h THR 88 Cb 1.19 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.89 2k1g h THR 88 CO 0.47 0.10 0.36 1.88 0.37 0.00 0.00 175.52 178.70 2k1g h TYR 89 N 0.53 0.67 -0.14 3.16 -1.99 -1.95 -1.34 116.97 115.91 2k1g h TYR 89 Ca 0.27 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.88 2k1g h TYR 89 Cb 0.21 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 2k1g h TYR 89 CO -0.11 0.35 -0.50 0.93 -0.00 0.00 0.00 178.16 178.82 2k1g h GLU 90 N 0.69 0.37 0.00 4.88 4.39 -1.92 -2.70 114.58 120.29 2k1g h GLU 90 Ca 0.27 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2k1g h GLU 90 Cb 0.11 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2k1g h GLU 90 CO -0.15 0.79 -0.01 1.96 -1.16 0.00 0.00 179.01 180.44 2k1g h GLN 91 N 0.29 0.00 0.00 2.33 4.20 -0.40 -2.32 115.11 119.21 2k1g h GLN 91 Ca 0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2k1g h GLN 91 Cb 0.99 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 2k1g h GLN 91 CO 0.08 0.01 -0.15 1.96 -0.67 0.00 0.00 178.83 180.06 2k1g h GLN 92 N 0.00 0.00 -0.01 1.46 4.20 -0.93 -2.71 115.11 117.12 2k1g h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k1g h GLN 92 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2k1g h GLN 92 CO 0.00 0.15 -0.10 0.39 -0.67 0.00 0.00 178.83 178.61 2k1g n GLU 93 N -3.28 1.10 0.00 1.46 -0.58 -0.87 -4.52 120.64 113.95 2k1g n GLU 93 Ca 0.01 -0.53 0.00 0.00 -0.42 0.00 0.00 57.16 56.22 2k1g n GLU 93 Cb 0.41 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 2k1g n GLU 93 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2k1g n MET 94 N -0.49 0.00 -2.18 3.49 2.81 -1.03 -5.02 117.12 114.71 2k1g n MET 94 Ca 0.16 0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.74 2k1g n MET 94 Cb 0.30 -0.28 0.00 0.00 -0.71 0.00 0.00 33.22 32.54 2k1g n MET 94 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k1g s GLY 95 N -1.78 2.42 0.33 3.03 0.00 -1.20 -4.98 107.32 105.14 2k1g s GLY 95 Ca 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.28 2k1g s GLY 95 CO 0.00 0.99 0.65 0.54 0.00 0.00 0.00 173.10 175.28 2k1g s LYS 96 N -3.58 3.73 0.38 2.90 -0.14 -0.86 -4.73 119.74 117.45 2k1g s LYS 96 Ca 0.69 0.26 -0.13 0.00 -1.36 0.00 0.00 55.97 55.43 2k1g s LYS 96 Cb -0.20 -2.53 -0.08 0.00 -1.68 0.00 0.00 37.83 33.34 2k1g s LYS 96 CO 0.30 0.12 0.77 -1.54 -0.76 0.00 0.00 175.35 174.24 2k1g s SER 97 N -3.02 6.63 0.27 2.83 1.04 -1.26 -0.13 113.70 120.06 2k1g s SER 97 Ca 0.48 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 58.01 2k1g s SER 97 Cb -0.11 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.66 2k1g s SER 97 CO 0.29 -0.34 0.51 0.68 0.98 0.00 0.00 173.24 175.37 2k1g s VAL 98 N -2.24 0.00 0.47 5.02 -7.23 0.03 -4.86 120.40 111.60 2k1g s VAL 98 Ca 0.53 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2k1g s VAL 98 Cb -0.10 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.54 2k1g s VAL 98 CO 0.26 0.00 0.13 -0.24 -0.31 0.00 0.00 175.10 174.94 2k1g n SER 99 N -0.62 3.01 -0.17 4.85 2.88 -1.26 -3.47 113.62 118.83 2k1g n SER 99 Ca -0.02 -2.89 -0.03 0.00 -1.33 0.00 0.00 58.87 54.61 2k1g n SER 99 Cb 0.62 0.19 0.07 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.41 0.00 -1.46 -0.00 -1.99 -0.32 114.38 111.01 2k1g h ARG 100 Ca -0.35 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 2k1g h ARG 100 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 31.02 2k1g h ARG 100 CO 0.58 0.27 0.00 0.45 0.00 0.00 0.00 179.97 181.27 2k1g n SER 101 N -4.96 0.00 -0.05 7.04 2.88 -1.26 -2.38 113.62 114.90 2k1g n SER 101 Ca 0.06 -0.15 0.02 0.00 -1.33 0.00 0.00 58.87 57.46 2k1g n SER 101 Cb 0.19 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.17 0.50 -4.75 -3.46 4.13 -0.20 -5.05 115.26 105.26 2k1g n ASN 102 Ca 0.09 -0.75 -0.41 0.00 1.68 0.00 0.00 54.58 55.18 2k1g n ASN 102 Cb 0.09 0.75 -0.02 0.00 -1.54 0.00 0.00 39.78 39.06 2k1g n ASN 102 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2k1g s LEU 103 N -1.75 4.34 0.00 3.41 1.43 -0.79 -4.87 118.68 120.45 2k1g s LEU 103 Ca 0.03 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.09 2k1g s LEU 103 Cb 0.03 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2k1g s LEU 103 CO 0.14 -0.93 0.00 0.54 0.23 0.00 0.00 176.35 176.34 2k1g n ARG 104 N 2.19 3.95 -3.48 1.70 5.12 -1.26 -5.09 116.66 119.80 2k1g n ARG 104 Ca 0.08 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.58 2k1g n ARG 104 Cb 0.37 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.59 2k1g n ARG 104 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2k1g s THR 105 N 2.03 4.81 0.00 0.55 2.01 -1.26 -4.48 115.64 119.29 2k1g s THR 105 Ca 0.00 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.79 2k1g s THR 105 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2k1g s THR 105 CO 0.00 -0.55 0.00 0.61 -0.69 0.00 0.00 174.62 173.99 2k1g n GLY 106 N 5.08 0.95 3.74 4.40 0.00 -0.04 -4.82 105.19 114.50 2k1g n GLY 106 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.65 6.39 -0.39 1.61 1.11 -1.26 -4.57 116.67 118.92 2k1g s ASP 107 Ca 0.00 2.91 -0.25 0.00 0.18 0.00 0.00 52.55 55.40 2k1g s ASP 107 Cb 0.00 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.38 2k1g s ASP 107 CO 0.00 -0.91 0.88 -0.76 1.18 0.00 0.00 175.17 175.56 2k1g s LEU 108 N -0.21 4.04 -0.10 1.23 1.43 0.54 -0.89 118.68 124.73 2k1g s LEU 108 Ca 0.65 0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 2k1g s LEU 108 Cb -0.48 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 2k1g s LEU 108 CO 0.45 -0.87 0.32 0.68 0.23 0.00 0.00 176.35 177.16 2k1g s VAL 109 N 3.43 5.23 -0.11 -1.59 -7.23 0.37 0.16 120.40 120.66 2k1g s VAL 109 Ca 0.36 0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 61.12 2k1g s VAL 109 Cb -0.12 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 2k1g s VAL 109 CO 0.20 0.48 0.05 -0.76 -0.31 0.00 0.00 175.10 174.76 2k1g s LEU 110 N -0.24 3.83 -0.00 1.32 1.43 0.41 -0.98 118.68 124.45 2k1g s LEU 110 Ca 0.19 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2k1g s LEU 110 Cb -0.14 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2k1g s LEU 110 CO 0.08 0.36 -0.22 -0.36 0.23 0.00 0.00 176.35 176.44 2k1g s PHE 111 N -0.75 1.94 -1.22 0.29 0.08 0.17 -0.66 117.98 117.83 2k1g s PHE 111 Ca 0.12 -0.37 -0.18 0.00 0.12 0.00 0.00 56.93 56.62 2k1g s PHE 111 Cb -0.12 -1.22 0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2k1g s PHE 111 CO 0.03 0.00 1.59 1.03 -0.10 0.00 0.00 175.22 177.77 2k1g s ARG 112 N -0.69 3.94 -0.08 0.44 0.52 0.79 -1.04 118.95 122.82 2k1g s ARG 112 Ca 0.08 -2.00 -0.16 0.00 -0.52 0.00 0.00 55.73 53.13 2k1g s ARG 112 Cb -0.09 -5.36 -0.05 0.00 0.52 0.00 0.00 34.95 29.97 2k1g s ARG 112 CO -0.00 -2.11 0.42 0.00 0.02 0.00 0.00 175.30 173.63 2k1g s ALA 113 N 3.61 3.59 -0.04 2.13 0.00 -1.03 -4.82 121.76 125.19 2k1g s ALA 113 Ca 0.49 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 2k1g s ALA 113 Cb 0.01 -2.49 -0.19 0.00 0.00 0.00 0.00 23.12 20.45 2k1g s ALA 113 CO 0.03 0.21 2.71 0.41 0.00 0.00 0.00 175.76 179.11 2k1g n GLY 114 N 2.70 2.46 2.14 0.00 0.00 -1.26 -0.81 105.19 110.41 2k1g n GLY 114 Ca -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2k1g n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1g n SER 115 N 2.69 -2.46 -0.00 1.61 7.64 -1.26 -4.94 113.62 116.90 2k1g n SER 115 Ca 0.31 0.62 0.08 0.00 1.01 0.00 0.00 58.87 60.90 2k1g n SER 115 Cb 0.63 2.42 -0.10 0.00 -1.01 0.00 0.00 64.21 66.15 2k1g n SER 115 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k1g n THR 116 N -3.24 0.00 0.00 0.44 -2.24 -1.22 -5.01 114.28 103.01 2k1g n THR 116 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2k1g n THR 116 Cb 0.00 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.42 1.57 3.05 3.38 0.00 0.01 -4.73 105.19 109.90 2k1g n GLY 117 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2k1g n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1g s ARG 118 N 0.00 1.82 0.22 1.61 1.81 -1.26 -2.46 118.95 120.69 2k1g s ARG 118 Ca 0.00 -2.02 -0.01 0.00 -1.72 0.00 0.00 55.73 51.97 2k1g s ARG 118 Cb 0.00 -3.39 -0.04 0.00 -0.45 0.00 0.00 34.95 31.06 2k1g s ARG 118 CO 0.00 -1.03 0.42 -1.58 -0.68 0.00 0.00 175.30 172.44 2k1g s HIS 119 N 0.72 3.48 0.01 -0.53 5.65 -0.21 -4.77 115.29 119.64 2k1g s HIS 119 Ca 0.11 0.40 0.02 0.00 0.25 0.00 0.00 55.06 55.84 2k1g s HIS 119 Cb -0.21 -1.90 -0.01 0.00 -1.18 0.00 0.00 32.58 29.28 2k1g s HIS 119 CO -0.05 0.34 -0.08 0.54 -0.65 0.00 0.00 174.74 174.84 2k1g s VAL 120 N -1.91 0.60 0.07 0.89 0.11 -1.26 -0.66 120.40 118.24 2k1g s VAL 120 Ca 0.39 -0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2k1g s VAL 120 Cb -0.11 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2k1g s VAL 120 CO 0.29 0.01 0.03 -0.83 -3.33 0.00 0.00 175.10 171.27 2k1g s GLY 121 N -0.59 0.48 -0.43 6.54 0.00 -0.15 -4.67 107.32 108.50 2k1g s GLY 121 Ca -0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 43.41 2k1g s GLY 121 CO 0.00 -1.23 0.43 -0.42 0.00 0.00 0.00 173.10 171.89 2k1g s ILE 122 N -3.93 5.10 -0.36 0.90 1.01 0.08 -0.48 121.20 123.52 2k1g s ILE 122 Ca 0.09 -0.41 -0.28 0.00 0.00 0.00 0.00 60.65 60.05 2k1g s ILE 122 Cb 0.07 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2k1g s ILE 122 CO -0.08 -0.44 1.82 -0.47 0.00 0.00 0.00 174.94 175.77 2k1g s TYR 123 N 2.10 1.78 -0.11 3.97 5.04 -0.07 -1.68 117.35 128.38 2k1g s TYR 123 Ca 0.11 0.66 0.07 0.00 -2.44 0.00 0.00 57.07 55.47 2k1g s TYR 123 Cb -0.18 -4.11 -0.12 0.00 0.35 0.00 0.00 41.96 37.90 2k1g s TYR 123 CO 0.13 -2.88 -0.01 0.44 -1.34 0.00 0.00 175.55 171.89 2k1g n ILE 124 N 7.40 0.75 -4.19 3.14 -5.35 -1.02 -0.87 119.36 119.23 2k1g n ILE 124 Ca 0.23 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.18 2k1g n ILE 124 Cb 0.47 -0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 37.54 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 2.48 3.41 0.41 3.28 0.00 -0.43 -4.90 105.19 109.45 2k1g n GLY 125 Ca -0.19 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 2k1g n GLY 125 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k1g h ASN 126 N 1.17 -1.77 0.00 1.61 -0.73 -1.98 -3.24 115.58 110.63 2k1g h ASN 126 Ca -0.15 0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.30 2k1g h ASN 126 Cb 0.71 0.79 0.00 0.00 0.27 0.00 0.00 38.32 40.09 2k1g h ASN 126 CO 0.22 -0.31 -0.03 0.59 -0.37 0.00 0.00 177.43 177.52 2k1g n ASN 127 N -5.36 0.16 -4.76 1.15 5.03 -1.26 -4.97 115.26 105.24 2k1g n ASN 127 Ca 0.02 -0.43 -0.40 0.00 0.87 0.00 0.00 54.58 54.64 2k1g n ASN 127 Cb 0.33 0.89 -0.05 0.00 -1.02 0.00 0.00 39.78 39.93 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2k1g s GLN 128 N -0.93 4.53 -0.07 3.52 -0.21 -1.22 -1.11 119.66 124.17 2k1g s GLN 128 Ca 0.00 1.12 -0.09 0.00 0.02 0.00 0.00 55.36 56.41 2k1g s GLN 128 Cb 0.00 -3.31 0.02 0.00 1.00 0.00 0.00 33.01 30.72 2k1g s GLN 128 CO 0.00 0.42 0.23 -0.59 -2.12 0.00 0.00 175.29 173.23 2k1g s PHE 129 N -0.58 -0.21 -0.11 0.91 -0.12 -0.35 -1.31 117.98 116.21 2k1g s PHE 129 Ca 0.37 0.49 -0.11 0.00 -0.05 0.00 0.00 56.93 57.63 2k1g s PHE 129 Cb -0.22 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.20 2k1g s PHE 129 CO 0.25 -0.18 0.24 0.54 -0.05 0.00 0.00 175.22 176.02 2k1g s VAL 130 N -0.26 5.33 0.16 -2.49 0.11 -0.68 -1.15 120.40 121.43 2k1g s VAL 130 Ca -0.04 0.45 -0.25 0.00 -2.93 0.00 0.00 61.98 59.21 2k1g s VAL 130 Cb -0.03 -3.54 0.06 0.00 -1.53 0.00 0.00 36.38 31.34 2k1g s VAL 130 CO 0.01 0.53 0.90 -1.38 -3.33 0.00 0.00 175.10 171.83 2k1g s HIS 131 N -0.50 -0.17 -0.87 1.54 -3.43 -0.17 -0.74 115.29 110.94 2k1g s HIS 131 Ca 0.17 -0.14 -0.18 0.00 -0.80 0.00 0.00 55.06 54.10 2k1g s HIS 131 Cb -0.13 0.64 0.14 0.00 -1.43 0.00 0.00 32.58 31.80 2k1g s HIS 131 CO 0.06 -0.88 1.02 0.00 -2.00 0.00 0.00 174.74 172.93 2k1g s ALA 132 N -3.41 3.50 0.49 -1.38 0.00 -1.26 -0.53 121.76 119.17 2k1g s ALA 132 Ca 0.11 -2.79 -0.23 0.00 0.00 0.00 0.00 51.96 49.05 2k1g s ALA 132 Cb -0.02 -3.90 -0.06 0.00 0.00 0.00 0.00 23.12 19.14 2k1g s ALA 132 CO 0.02 -2.79 1.27 -1.54 0.00 0.00 0.00 175.76 172.72 2k1g s SER 133 N 3.35 5.77 0.52 0.00 1.04 0.15 -3.67 113.70 120.86 2k1g s SER 133 Ca 0.28 2.55 0.27 0.00 0.48 0.00 0.00 55.95 59.53 2k1g s SER 133 Cb -0.08 -2.62 1.44 0.00 0.10 0.00 0.00 66.02 64.86 2k1g s SER 133 CO -0.07 -1.21 2.08 0.71 0.98 0.00 0.00 173.24 175.72 2k1g h THR 134 N 1.73 0.60 0.00 2.02 1.35 -1.96 -1.14 112.91 115.51 2k1g h THR 134 Ca -0.50 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2k1g h THR 134 Cb 1.27 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 2k1g h THR 134 CO 0.59 0.11 0.00 -0.24 -0.25 0.00 0.00 175.52 175.73 2k1g n SER 135 N -3.69 0.00 -0.10 5.36 2.88 -1.26 -4.71 113.62 112.10 2k1g n SER 135 Ca -0.02 0.64 -0.13 0.00 -1.33 0.00 0.00 58.87 58.04 2k1g n SER 135 Cb 0.23 -0.47 -0.12 0.00 -0.75 0.00 0.00 64.21 63.10 2k1g n SER 135 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k1g n SER 136 N -1.91 1.60 0.00 -3.46 7.64 -1.25 -4.90 113.62 111.34 2k1g n SER 136 Ca 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2k1g n SER 136 Cb 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 2.22 0.12 3.56 0.23 0.00 -0.43 -3.74 105.19 107.15 2k1g n GLY 137 Ca -0.35 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.73 3.08 0.25 1.61 1.01 0.27 0.32 120.40 126.22 2k1g s VAL 138 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2k1g s VAL 138 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2k1g s VAL 138 CO 0.00 -0.18 0.16 2.30 0.00 0.00 0.00 175.10 177.38 2k1g n ILE 139 N 8.42 0.00 -3.97 2.22 -5.35 0.31 -3.69 119.36 117.30 2k1g n ILE 139 Ca 0.42 -1.67 -0.34 0.00 -0.27 0.00 0.00 62.75 60.89 2k1g n ILE 139 Cb 0.47 0.76 -0.14 0.00 -1.74 0.00 0.00 39.64 38.98 2k1g n ILE 139 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2k1g s ILE 140 N -2.83 2.85 0.47 7.28 1.01 -1.26 -1.00 121.20 127.72 2k1g s ILE 140 Ca 0.23 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.00 2k1g s ILE 140 Cb 0.01 -2.41 0.06 0.00 0.01 0.00 0.00 42.46 40.14 2k1g s ILE 140 CO 0.16 0.27 0.52 -1.20 0.00 0.00 0.00 174.94 174.69 2k1g n SER 141 N 4.68 2.05 -3.86 3.58 7.64 -0.30 -4.89 113.62 122.52 2k1g n SER 141 Ca -0.17 -2.40 -0.11 0.00 1.01 0.00 0.00 58.87 57.20 2k1g n SER 141 Cb 0.48 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 2k1g n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1g s SER 142 N -3.83 -0.02 0.49 6.43 0.01 -1.26 -1.22 113.70 114.30 2k1g s SER 142 Ca 0.39 -0.03 0.21 0.00 1.31 0.00 0.00 55.95 57.84 2k1g s SER 142 Cb -0.03 0.22 1.25 0.00 0.21 0.00 0.00 66.02 67.66 2k1g s SER 142 CO 0.25 -0.21 2.04 0.24 0.41 0.00 0.00 173.24 175.98 2k1g h MET 143 N 5.11 0.00 0.00 12.44 2.86 -1.47 -1.93 114.93 131.93 2k1g h MET 143 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2k1g h MET 143 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k1g h MET 143 CO 0.42 0.14 0.00 0.27 1.06 0.00 0.00 176.91 178.80 2k1g n ASN 144 N -4.01 0.00 -4.67 1.22 6.94 -1.26 -2.38 115.26 111.09 2k1g n ASN 144 Ca -0.02 -0.23 -0.43 0.00 -0.02 0.00 0.00 54.58 53.88 2k1g n ASN 144 Cb 0.23 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.44 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2k1g s GLU 145 N -2.36 4.28 0.36 -3.83 0.41 -0.73 -4.87 118.70 111.95 2k1g s GLU 145 Ca 0.23 1.70 0.17 0.00 -0.41 0.00 0.00 54.97 56.66 2k1g s GLU 145 Cb 0.13 -3.68 1.16 0.00 -1.78 0.00 0.00 34.13 29.96 2k1g s GLU 145 CO 0.28 -0.61 1.65 -1.00 -0.49 0.00 0.00 175.26 175.09 2k1g h PRO 146 N 7.95 0.26 0.14 0.39 0.13 -1.89 0.37 132.00 139.33 2k1g h PRO 146 Ca -0.30 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2k1g h PRO 146 Cb 1.13 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2k1g h PRO 146 CO 0.93 0.17 -0.07 -0.92 -0.23 0.00 0.00 178.00 177.89 2k1g h TYR 147 N 0.27 -0.17 0.00 1.56 3.20 -1.92 -3.08 116.97 116.82 2k1g h TYR 147 Ca 0.75 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.48 2k1g h TYR 147 Cb 1.83 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 40.14 2k1g h TYR 147 CO -0.01 -0.03 -0.67 -1.49 -1.64 0.00 0.00 178.16 174.32 2k1g h TRP 148 N -0.27 0.00 -0.43 -3.82 4.06 -0.90 -2.37 115.95 112.22 2k1g h TRP 148 Ca -0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 2k1g h TRP 148 Cb 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 2k1g h TRP 148 CO -0.04 0.67 0.24 -0.22 -3.56 0.00 0.00 178.44 175.52 2k1g h LYS 149 N 0.00 0.59 -0.09 0.49 3.64 -0.07 0.96 116.57 122.09 2k1g h LYS 149 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k1g h LYS 149 Cb 1.36 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2k1g h LYS 149 CO 0.09 0.44 0.00 0.36 -2.27 0.00 0.00 179.45 178.06 2k1g n LYS 150 N -4.42 1.98 -0.08 1.90 2.85 -1.17 -4.46 118.16 114.76 2k1g n LYS 150 Ca 0.03 -1.82 -0.09 0.00 -1.05 0.00 0.00 58.31 55.38 2k1g n LYS 150 Cb 0.10 -1.41 -0.13 0.00 -0.65 0.00 0.00 35.03 32.94 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 1.20 1.21 -1.70 -1.58 3.00 -0.68 -4.92 116.66 113.19 2k1g n ARG 151 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.54 2k1g n ARG 151 Cb 0.53 -1.43 -0.02 0.00 0.00 0.00 0.00 32.46 31.54 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k1g n TYR 152 N -2.65 2.43 0.01 -1.55 9.36 0.25 -0.15 117.16 124.85 2k1g n TYR 152 Ca -0.28 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.31 2k1g n TYR 152 Cb 1.04 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 37.24 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 2.05 0.12 -2.72 2.98 5.15 0.17 -4.84 115.26 118.17 2k1g n ASN 153 Ca 0.10 0.03 -0.10 0.00 -0.60 0.00 0.00 54.58 54.00 2k1g n ASN 153 Cb 0.34 -0.03 0.01 0.00 -0.53 0.00 0.00 39.78 39.56 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2k1g n GLU 154 N -3.00 0.90 -3.87 1.20 0.28 -1.17 -5.00 120.64 109.98 2k1g n GLU 154 Ca 0.00 -2.26 -0.11 0.00 -0.16 0.00 0.00 57.16 54.63 2k1g n GLU 154 Cb 0.37 2.54 -0.10 0.00 1.43 0.00 0.00 31.44 35.68 2k1g n GLU 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k1g s ALA 155 N -2.26 -0.33 -0.08 -1.84 0.00 -1.23 -0.44 121.76 115.58 2k1g s ALA 155 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.03 2k1g s ALA 155 Cb -0.03 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2k1g s ALA 155 CO 0.14 -0.20 0.03 1.03 0.00 0.00 0.00 175.76 176.76 2k1g s ARG 156 N -1.32 0.31 -0.46 0.00 0.52 0.12 -0.79 118.95 117.34 2k1g s ARG 156 Ca -0.14 0.14 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 2k1g s ARG 156 Cb -0.07 -0.99 0.02 0.00 0.52 0.00 0.00 34.95 34.43 2k1g s ARG 156 CO 0.02 -0.38 1.30 -0.98 0.02 0.00 0.00 175.30 175.28 2k1g s ARG 157 N 2.05 3.60 0.06 3.54 3.03 0.81 -0.34 118.95 131.70 2k1g s ARG 157 Ca 0.04 0.72 0.10 0.00 2.03 0.00 0.00 55.73 58.62 2k1g s ARG 157 Cb -0.13 -3.99 -0.21 0.00 -1.03 0.00 0.00 34.95 29.59 2k1g s ARG 157 CO -0.05 -1.54 1.04 -0.39 -1.13 0.00 0.00 175.30 173.23 2k1g h VAL 158 N 6.36 1.33 -1.68 4.99 -1.51 -1.86 -2.28 116.25 121.61 2k1g h VAL 158 Ca -0.26 -3.08 -0.56 0.00 -1.23 0.00 0.00 66.70 61.58 2k1g h VAL 158 Cb 1.08 2.65 -0.09 0.00 -2.13 0.00 0.00 31.29 32.81 2k1g h VAL 158 CO 1.12 0.76 1.28 -0.76 -1.23 0.00 0.00 177.57 178.73 2k1g s LEU 159 N -6.44 3.33 -0.09 4.19 1.43 -1.26 -4.89 118.68 114.95 2k1g s LEU 159 Ca -0.01 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.86 2k1g s LEU 159 Cb 0.09 -2.56 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 2k1g s LEU 159 CO 0.82 -1.71 1.84 -0.55 0.23 0.00 0.00 176.35 176.97 2k1g s SER 160 N 4.58 6.33 -0.15 2.29 0.15 -1.26 -4.98 113.70 120.67 2k1g s SER 160 Ca 0.42 2.18 -0.04 0.00 0.70 0.00 0.00 55.95 59.21 2k1g s SER 160 Cb -0.04 -2.53 0.05 0.00 -1.71 0.00 0.00 66.02 61.80 2k1g s SER 160 CO 0.02 -1.21 0.07 -0.60 1.20 0.00 0.00 173.24 172.72 2k1g s ARG 161 N 4.70 0.20 -0.14 5.44 6.06 -1.26 -5.14 118.95 128.80 2k1g s ARG 161 Ca 0.82 -0.09 -0.03 0.00 -2.50 0.00 0.00 55.73 53.94 2k1g s ARG 161 Cb -0.34 -1.69 -0.03 0.00 0.06 0.00 0.00 34.95 32.96 2k1g s ARG 161 CO 0.34 -0.60 -0.06 -1.12 -2.50 0.00 0.00 175.30 171.36 2k1g s SER 162 N 2.08 4.63 1.06 -2.12 0.01 -1.26 -5.12 113.70 112.97 2k1g s SER 162 Ca 0.02 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 56.98 2k1g s SER 162 Cb -0.16 -1.69 0.20 0.00 0.21 0.00 0.00 66.02 64.59 2k1g s SER 162 CO -0.08 0.19 1.03 0.00 0.41 0.00 0.00 173.24 174.79 2k1g n LEU 163 N 3.38 0.00 0.00 2.44 -0.00 -1.26 -5.36 117.00 116.20 2k1g n LEU 163 Ca -0.18 -1.12 0.01 0.00 -0.00 0.00 0.00 56.01 54.73 2k1g n LEU 163 Cb 0.53 -0.83 0.07 0.00 -0.00 0.00 0.00 43.42 43.19 2k1g n LEU 163 CO 0.32 -1.48 0.31 -1.84 -0.00 0.00 0.00 177.39 174.70