#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 7.47 -0.56 7.83 0.02 -1.26 -4.99 114.94 123.45 2k1g s ASN 37 Ca 0.00 1.93 -0.28 0.00 -1.02 0.00 0.00 52.86 53.49 2k1g s ASN 37 Cb 0.00 -2.60 0.02 0.00 0.02 0.00 0.00 41.25 38.70 2k1g s ASN 37 CO 0.00 0.03 1.27 -0.69 0.02 0.00 0.00 177.10 177.73 2k1g s VAL 38 N -1.36 3.95 -0.04 1.60 1.01 -1.26 -5.00 120.40 119.29 2k1g s VAL 38 Ca 0.45 0.84 0.06 0.00 0.00 0.00 0.00 61.98 63.33 2k1g s VAL 38 Cb -0.23 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 2k1g s VAL 38 CO 0.29 -1.26 -0.20 -0.62 0.00 0.00 0.00 175.10 173.32 2k1g s ASP 39 N 3.43 3.57 0.09 3.32 2.15 -1.26 -5.06 116.67 122.91 2k1g s ASP 39 Ca 0.47 -0.33 -0.32 0.00 0.43 0.00 0.00 52.55 52.80 2k1g s ASP 39 Cb -0.09 -0.65 -0.14 0.00 -0.30 0.00 0.00 42.92 41.74 2k1g s ASP 39 CO 0.26 0.33 1.61 0.58 -0.17 0.00 0.00 175.17 177.77 2k1g h VAL 40 N 4.46 0.24 -0.82 1.11 2.07 -1.94 -1.36 116.25 120.01 2k1g h VAL 40 Ca -0.44 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.17 2k1g h VAL 40 Cb 1.14 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2k1g h VAL 40 CO 0.49 0.00 0.48 0.50 0.02 0.00 0.00 177.57 179.06 2k1g h LYS 41 N -0.80 0.80 -0.66 1.57 3.64 -1.89 -0.72 116.57 118.51 2k1g h LYS 41 Ca -0.04 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2k1g h LYS 41 Cb 0.70 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2k1g h LYS 41 CO -0.03 0.53 0.41 0.77 -2.27 0.00 0.00 179.45 178.86 2k1g h SER 42 N 0.83 0.69 0.45 4.20 0.02 -1.87 -0.59 113.55 117.27 2k1g h SER 42 Ca 0.39 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.16 2k1g h SER 42 Cb 0.31 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2k1g h SER 42 CO -0.23 0.48 -0.77 0.03 -1.14 0.00 0.00 176.83 175.21 2k1g h ARG 43 N 0.82 0.25 0.03 3.45 3.08 -0.74 0.15 114.38 121.42 2k1g h ARG 43 Ca 0.26 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2k1g h ARG 43 Cb -0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2k1g h ARG 43 CO -0.10 0.90 -0.01 0.82 -1.07 0.00 0.00 179.97 180.51 2k1g h ILE 44 N 0.16 0.98 -0.21 2.04 2.04 -0.72 -2.00 117.51 119.80 2k1g h ILE 44 Ca -0.03 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 2k1g h ILE 44 Cb 1.35 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2k1g h ILE 44 CO 0.12 0.00 -0.31 0.24 0.00 0.00 0.00 178.15 178.21 2k1g h MET 45 N -0.04 0.41 -0.72 2.37 2.86 -1.13 -0.83 114.93 117.85 2k1g h MET 45 Ca -0.00 -0.17 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2k1g h MET 45 Cb 0.03 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 2k1g h MET 45 CO 0.01 0.68 0.39 0.22 1.06 0.00 0.00 176.91 179.26 2k1g h ASP 46 N 0.36 0.54 0.50 1.22 3.58 -0.69 -1.83 116.42 120.10 2k1g h ASP 46 Ca 0.05 0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.27 2k1g h ASP 46 Cb 0.72 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.73 2k1g h ASP 46 CO 0.05 0.32 -1.19 -0.61 -2.88 0.00 0.00 179.24 174.93 2k1g h GLN 47 N 0.67 0.35 -0.83 0.28 5.75 -1.22 -3.28 115.11 116.83 2k1g h GLN 47 Ca 0.35 -0.53 0.21 0.00 -0.15 0.00 0.00 58.65 58.52 2k1g h GLN 47 Cb 0.31 0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 2k1g h GLN 47 CO -0.24 1.22 0.57 -0.92 -2.65 0.00 0.00 178.83 176.82 2k1g h TYR 48 N 0.13 0.30 -0.85 3.99 3.20 -0.53 0.95 116.97 124.17 2k1g h TYR 48 Ca -0.14 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.93 2k1g h TYR 48 Cb 1.89 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 40.01 2k1g h TYR 48 CO 0.07 0.09 0.57 0.00 -1.64 0.00 0.00 178.16 177.25 2k1g h ALA 49 N 1.62 2.21 0.00 1.82 0.00 -1.41 0.13 119.26 123.62 2k1g h ALA 49 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2k1g h ALA 49 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k1g h ALA 49 CO -0.10 -0.46 -0.13 -0.44 0.00 0.00 0.00 179.25 178.12 2k1g h ASP 50 N 0.39 0.00 -0.02 0.00 5.19 -1.01 -3.33 116.42 117.64 2k1g h ASP 50 Ca 0.43 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 2k1g h ASP 50 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 2k1g h ASP 50 CO -0.15 0.00 -0.41 0.79 -3.12 0.00 0.00 179.24 176.35 2k1g n TRP 51 N -3.01 0.00 -1.96 4.55 7.02 0.35 -4.93 117.44 119.45 2k1g n TRP 51 Ca 0.04 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.09 2k1g n TRP 51 Cb 0.53 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 2k1g n TRP 51 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2k1g s LYS 52 N -2.34 4.22 0.00 -0.99 1.02 -0.56 -2.44 119.74 118.64 2k1g s LYS 52 Ca 0.18 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.48 2k1g s LYS 52 Cb 0.17 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2k1g s LYS 52 CO 0.52 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 2k1g n GLY 53 N 3.84 0.68 3.73 -3.33 0.00 -1.26 -5.06 105.19 103.78 2k1g n GLY 53 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.53 4.45 0.57 1.61 1.01 -1.02 -4.95 120.40 119.54 2k1g s VAL 54 Ca 0.00 2.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.90 2k1g s VAL 54 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2k1g s VAL 54 CO 0.00 0.29 0.93 -0.13 0.00 0.00 0.00 175.10 176.19 2k1g s ARG 55 N 0.10 3.42 -0.30 2.72 1.81 -1.26 -1.10 118.95 124.33 2k1g s ARG 55 Ca 0.48 0.42 -0.29 0.00 -1.72 0.00 0.00 55.73 54.62 2k1g s ARG 55 Cb -0.24 -2.21 0.01 0.00 -0.45 0.00 0.00 34.95 32.06 2k1g s ARG 55 CO 0.30 -0.50 1.16 -0.47 -0.68 0.00 0.00 175.30 175.11 2k1g s TYR 56 N -3.01 2.99 -0.36 -0.53 5.04 -1.26 -1.31 117.35 118.92 2k1g s TYR 56 Ca 0.52 1.09 0.01 0.00 -2.44 0.00 0.00 57.07 56.26 2k1g s TYR 56 Cb -0.11 -3.74 0.11 0.00 0.35 0.00 0.00 41.96 38.57 2k1g s TYR 56 CO 0.49 -1.12 0.12 0.50 -1.34 0.00 0.00 175.55 174.21 2k1g s ARG 57 N 3.79 1.13 -0.49 4.97 3.52 -0.73 -4.78 118.95 126.35 2k1g s ARG 57 Ca 0.49 -1.58 -0.28 0.00 -0.13 0.00 0.00 55.73 54.23 2k1g s ARG 57 Cb -0.14 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 2k1g s ARG 57 CO 0.17 -1.01 1.72 -1.17 -0.81 0.00 0.00 175.30 174.20 2k1g s LEU 58 N 1.05 3.40 0.00 -0.88 2.96 -1.26 -2.10 118.68 121.85 2k1g s LEU 58 Ca 0.12 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2k1g s LEU 58 Cb -0.20 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.47 2k1g s LEU 58 CO -0.14 -1.96 0.00 0.61 -1.32 0.00 0.00 176.35 173.54 2k1g n GLY 59 N 5.48 2.68 3.52 7.98 0.00 -1.26 -5.02 105.19 118.56 2k1g n GLY 59 Ca 0.19 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 1.08 -0.56 -0.02 0.00 -1.25 -4.99 107.32 101.59 2k1g s GLY 60 Ca 0.00 -1.60 -0.26 0.00 0.00 0.00 0.00 44.72 42.87 2k1g s GLY 60 CO 0.00 2.44 1.03 -1.35 0.00 0.00 0.00 173.10 175.22 2k1g s SER 61 N 3.77 6.38 0.18 1.64 1.04 -1.26 -4.16 113.70 121.30 2k1g s SER 61 Ca 0.31 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.36 2k1g s SER 61 Cb -0.11 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.58 2k1g s SER 61 CO 0.12 -1.32 0.54 0.28 0.98 0.00 0.00 173.24 173.84 2k1g s THR 62 N 4.31 0.02 -0.78 2.02 -1.32 -0.76 -5.00 115.64 114.14 2k1g s THR 62 Ca 0.35 -0.56 0.15 0.00 -1.21 0.00 0.00 61.69 60.42 2k1g s THR 62 Cb -0.11 -1.40 0.14 0.00 -1.51 0.00 0.00 72.50 69.62 2k1g s THR 62 CO 0.21 -0.11 1.46 1.17 -2.21 0.00 0.00 174.62 175.15 2k1g n LYS 63 N -0.34 0.07 -0.34 7.08 4.81 -1.26 -1.24 118.16 126.93 2k1g n LYS 63 Ca -0.12 0.38 0.08 0.00 -0.87 0.00 0.00 58.31 57.79 2k1g n LYS 63 Cb 0.63 -1.65 0.26 0.00 0.02 0.00 0.00 35.03 34.29 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k1g n LYS 64 N -1.78 2.54 0.00 1.64 4.01 -1.26 -4.82 118.16 118.49 2k1g n LYS 64 Ca 0.02 -2.06 0.00 0.00 -0.51 0.00 0.00 58.31 55.75 2k1g n LYS 64 Cb 0.14 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 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 1.26 3.48 3.39 0.72 0.00 -0.37 -4.78 105.19 108.89 2k1g n GLY 65 Ca 0.19 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 0.03 0.72 -0.61 2.07 -0.42 -1.82 121.20 121.17 2k1g s ILE 66 Ca 0.00 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 2k1g s ILE 66 Cb 0.00 -0.92 0.14 0.00 0.13 0.00 0.00 42.46 41.81 2k1g s ILE 66 CO 0.00 -0.14 0.99 1.51 -1.91 0.00 0.00 174.94 175.40 2k1g s ASP 67 N -1.67 4.32 0.05 4.50 1.47 -0.89 -1.77 116.67 122.67 2k1g s ASP 67 Ca -0.08 -0.52 -0.28 0.00 1.18 0.00 0.00 52.55 52.85 2k1g s ASP 67 Cb -0.01 0.20 -0.17 0.00 -0.34 0.00 0.00 42.92 42.60 2k1g s ASP 67 CO 0.02 -1.89 1.51 0.00 0.68 0.00 0.00 175.17 175.49 2k1g h SER 69 N -0.65 0.50 -0.27 0.00 4.64 -1.95 -1.78 113.55 114.04 2k1g h SER 69 Ca -0.05 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 2k1g h SER 69 Cb 0.47 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2k1g h SER 69 CO 0.09 0.47 -0.15 1.23 -0.87 0.00 0.00 176.83 177.59 2k1g h GLY 70 N 0.72 0.63 0.70 -0.77 0.00 -1.86 -2.76 103.07 99.73 2k1g h GLY 70 Ca 0.13 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.90 2k1g h GLY 70 CO -0.01 0.53 -0.15 -2.75 0.00 0.00 0.00 176.54 174.16 2k1g h PHE 71 N 0.31 -0.38 -0.82 5.60 3.57 -0.40 -0.93 116.94 123.89 2k1g h PHE 71 Ca 0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.58 2k1g h PHE 71 Cb 0.68 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 2k1g h PHE 71 CO 0.06 -0.22 0.54 -0.24 -2.23 0.00 0.00 178.31 176.23 2k1g h VAL 72 N -0.27 1.20 0.14 1.41 3.04 -1.43 -0.77 116.25 119.56 2k1g h VAL 72 Ca 0.03 -0.38 0.02 0.00 -1.01 0.00 0.00 66.70 65.36 2k1g h VAL 72 Cb 0.31 0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 29.56 2k1g h VAL 72 CO -0.11 0.20 -0.28 -0.61 -1.01 0.00 0.00 177.57 175.76 2k1g h GLN 73 N 1.10 -0.49 0.18 4.17 4.15 -1.19 -2.26 115.11 120.77 2k1g h GLN 73 Ca 0.30 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.77 2k1g h GLN 73 Cb -0.11 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 2k1g h GLN 73 CO -0.07 -0.32 -0.25 0.00 -1.93 0.00 0.00 178.83 176.26 2k1g h ARG 74 N -0.50 -0.47 -0.48 1.69 2.47 -0.79 -0.87 114.38 115.42 2k1g h ARG 74 Ca 0.03 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.87 2k1g h ARG 74 Cb 0.52 0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.88 2k1g h ARG 74 CO -0.15 -0.31 0.05 1.15 0.56 0.00 0.00 179.97 181.26 2k1g h THR 75 N -0.49 0.68 -0.19 2.04 2.02 -1.12 0.11 112.91 115.95 2k1g h THR 75 Ca 0.01 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 2k1g h THR 75 Cb 0.48 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2k1g h THR 75 CO -0.10 0.03 -0.47 -0.26 0.37 0.00 0.00 175.52 175.09 2k1g h PHE 76 N 0.17 0.59 0.09 3.16 -1.00 -1.22 -2.30 116.94 116.43 2k1g h PHE 76 Ca 0.24 -0.19 -0.26 0.00 2.81 0.00 0.00 57.97 60.58 2k1g h PHE 76 Cb 0.35 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2k1g h PHE 76 CO -0.26 0.87 -1.19 0.07 -1.61 0.00 0.00 178.31 176.18 2k1g h ARG 77 N 0.39 0.19 -0.07 1.51 0.11 -0.67 0.28 114.38 116.11 2k1g h ARG 77 Ca 0.02 -0.33 -0.16 0.00 0.10 0.00 0.00 59.98 59.62 2k1g h ARG 77 Cb 0.97 0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 2k1g h ARG 77 CO 0.09 1.15 -0.66 0.93 0.10 0.00 0.00 179.97 181.58 2k1g h GLU 78 N 0.05 0.30 0.00 0.08 4.39 -0.82 -2.85 114.58 115.74 2k1g h GLU 78 Ca -0.11 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.23 2k1g h GLU 78 Cb 1.92 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.59 2k1g h GLU 78 CO 0.18 0.85 -1.38 1.04 -1.16 0.00 0.00 179.01 178.55 2k1g n GLN 79 N -3.85 0.49 0.00 2.33 1.13 -0.87 -4.70 117.38 111.91 2k1g n GLN 79 Ca -0.03 0.20 0.13 0.00 -1.94 0.00 0.00 57.00 55.36 2k1g n GLN 79 Cb 0.66 -1.34 0.32 0.00 0.11 0.00 0.00 30.24 29.99 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 -4.27 0.00 -1.73 1.08 3.72 0.65 -4.94 117.46 111.97 2k1g n PHE 80 Ca -0.24 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.98 2k1g n PHE 80 Cb 0.59 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 39.00 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 1.32 1.14 3.72 1.37 0.00 0.58 -4.91 105.19 108.42 2k1g n GLY 81 Ca 0.13 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.24 4.32 -0.68 0.99 2.96 -0.67 -4.85 118.68 116.51 2k1g s LEU 82 Ca 0.00 1.17 -0.26 0.00 -0.22 0.00 0.00 54.13 54.82 2k1g s LEU 82 Cb 0.00 -3.06 0.04 0.00 0.50 0.00 0.00 46.19 43.67 2k1g s LEU 82 CO 0.00 -0.10 1.16 -1.61 -1.32 0.00 0.00 176.35 174.48 2k1g s GLU 83 N 0.75 3.23 -0.06 1.98 2.02 -1.26 -3.40 118.70 121.95 2k1g s GLU 83 Ca 0.37 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 55.05 2k1g s GLU 83 Cb -0.18 -4.16 -0.03 0.00 0.10 0.00 0.00 34.13 29.87 2k1g s GLU 83 CO 0.18 -1.94 -0.10 -0.51 0.02 0.00 0.00 175.26 172.91 2k1g s LEU 84 N 5.04 2.99 0.50 1.80 1.43 -1.26 -5.12 118.68 124.05 2k1g s LEU 84 Ca 0.32 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 2k1g s LEU 84 Cb -0.11 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 2k1g s LEU 84 CO 0.16 0.35 1.11 -2.16 0.23 0.00 0.00 176.35 176.03 2k1g s PRO 85 N -0.76 3.63 -1.46 1.29 0.04 -1.26 -4.86 135.00 131.62 2k1g s PRO 85 Ca 0.12 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 2k1g s PRO 85 Cb -0.11 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.31 2k1g s PRO 85 CO 0.01 -0.61 2.43 -2.13 0.04 0.00 0.00 177.00 176.73 2k1g n ARG 86 N -0.94 3.55 -3.38 4.56 0.00 -1.26 -4.73 116.66 114.45 2k1g n ARG 86 Ca 0.10 -2.78 0.02 0.00 -0.00 0.00 0.00 57.85 55.18 2k1g n ARG 86 Cb 0.51 -2.96 -0.04 0.00 0.00 0.00 0.00 32.46 29.97 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 1.98 -0.52 0.28 6.15 0.15 -1.26 -4.88 113.70 115.61 2k1g s SER 87 Ca 0.54 0.71 0.01 0.00 0.70 0.00 0.00 55.95 57.91 2k1g s SER 87 Cb 0.15 1.58 0.60 0.00 -1.71 0.00 0.00 66.02 66.64 2k1g s SER 87 CO -0.06 -0.10 1.77 0.74 1.20 0.00 0.00 173.24 176.79 2k1g h THR 88 N 5.44 0.73 -0.33 6.45 2.02 -1.90 0.16 112.91 125.48 2k1g h THR 88 Ca -0.16 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2k1g h THR 88 Cb 1.12 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2k1g h THR 88 CO 0.08 0.13 0.20 1.88 0.37 0.00 0.00 175.52 178.18 2k1g h TYR 89 N 0.69 0.44 -0.53 3.16 -1.99 -1.96 -1.17 116.97 115.61 2k1g h TYR 89 Ca 0.50 -0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.16 2k1g h TYR 89 Cb 0.71 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 2k1g h TYR 89 CO -0.06 0.32 0.04 0.93 -0.00 0.00 0.00 178.16 179.39 2k1g h GLU 90 N 0.43 0.87 -0.34 4.88 4.39 -1.68 -3.09 114.58 120.04 2k1g h GLU 90 Ca 0.12 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 2k1g h GLU 90 Cb 0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2k1g h GLU 90 CO -0.02 0.84 -0.19 1.96 -1.16 0.00 0.00 179.01 180.43 2k1g h GLN 91 N 0.82 0.65 -0.02 2.33 4.20 -0.52 -2.90 115.11 119.66 2k1g h GLN 91 Ca 0.16 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.67 2k1g h GLN 91 Cb 0.43 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 2k1g h GLN 91 CO 0.02 0.80 -0.31 1.96 -0.67 0.00 0.00 178.83 180.62 2k1g h GLN 92 N 0.57 -0.44 0.00 1.46 4.20 -1.14 -1.73 115.11 118.04 2k1g h GLN 92 Ca 0.09 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2k1g h GLN 92 Cb 0.65 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2k1g h GLN 92 CO 0.05 -0.29 0.00 -0.85 -0.67 0.00 0.00 178.83 177.06 2k1g n GLU 93 N -5.41 0.80 0.03 1.46 0.28 -1.18 -2.13 120.64 114.49 2k1g n GLU 93 Ca -0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.07 2k1g n GLU 93 Cb 0.32 -1.46 0.11 0.00 1.43 0.00 0.00 31.44 31.85 2k1g n GLU 93 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2k1g n MET 94 N -0.96 0.21 -4.13 3.44 2.81 -0.66 -4.96 117.12 112.87 2k1g n MET 94 Ca 0.18 0.02 -0.12 0.00 -1.81 0.00 0.00 57.70 55.97 2k1g n MET 94 Cb 0.08 -1.59 -0.11 0.00 -0.71 0.00 0.00 33.22 30.89 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 -3.48 0.69 0.22 3.03 0.00 -0.91 -4.87 107.32 102.00 2k1g s GLY 95 Ca 0.06 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 2k1g s GLY 95 CO 0.76 -1.22 0.46 0.54 0.00 0.00 0.00 173.10 173.63 2k1g s LYS 96 N -2.96 3.61 0.48 2.90 -0.14 -1.25 -4.84 119.74 117.55 2k1g s LYS 96 Ca 0.04 -0.10 -0.10 0.00 -1.36 0.00 0.00 55.97 54.45 2k1g s LYS 96 Cb -0.01 -2.76 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 2k1g s LYS 96 CO -0.02 0.35 0.85 -1.54 -0.76 0.00 0.00 175.35 174.23 2k1g s SER 97 N -2.88 6.40 0.06 2.83 1.04 -1.26 -2.27 113.70 117.63 2k1g s SER 97 Ca 0.42 1.19 -0.05 0.00 0.48 0.00 0.00 55.95 57.99 2k1g s SER 97 Cb -0.11 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 2k1g s SER 97 CO 0.27 -0.57 0.08 0.68 0.98 0.00 0.00 173.24 174.68 2k1g s VAL 98 N -2.67 0.17 0.68 5.02 -7.23 0.48 -4.94 120.40 111.91 2k1g s VAL 98 Ca 0.52 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2k1g s VAL 98 Cb -0.10 -1.24 0.12 0.00 0.56 0.00 0.00 36.38 35.72 2k1g s VAL 98 CO 0.40 -0.76 0.94 -0.55 -0.31 0.00 0.00 175.10 174.82 2k1g s SER 99 N -2.62 4.55 0.14 4.85 0.15 -1.26 -3.71 113.70 115.80 2k1g s SER 99 Ca 0.02 -0.53 -0.26 0.00 0.70 0.00 0.00 55.95 55.88 2k1g s SER 99 Cb 0.04 0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2k1g s SER 99 CO -0.08 -1.72 1.61 0.03 1.20 0.00 0.00 173.24 174.27 2k1g h ARG 100 N -0.33 -0.37 0.00 5.44 2.47 -2.00 -1.06 114.38 118.54 2k1g h ARG 100 Ca -0.34 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 2k1g h ARG 100 Cb 1.27 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 2k1g h ARG 100 CO 0.40 -0.24 0.00 0.43 0.56 0.00 0.00 179.97 181.11 2k1g n SER 101 N -5.41 0.00 -0.70 7.04 7.64 -1.26 -2.98 113.62 117.95 2k1g n SER 101 Ca -0.03 0.29 0.08 0.00 1.01 0.00 0.00 58.87 60.22 2k1g n SER 101 Cb 0.32 -0.41 0.12 0.00 -1.01 0.00 0.00 64.21 63.23 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k1g n ASN 102 N -1.41 2.62 -4.68 6.43 4.13 -0.45 -4.99 115.26 116.91 2k1g n ASN 102 Ca 0.07 -1.76 -0.42 0.00 1.68 0.00 0.00 54.58 54.15 2k1g n ASN 102 Cb 0.21 -0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.31 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 -1.16 4.41 0.15 3.41 1.43 -0.89 -4.77 118.68 121.26 2k1g s LEU 103 Ca 0.23 2.68 0.05 0.00 -1.03 0.00 0.00 54.13 56.05 2k1g s LEU 103 Cb 0.14 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2k1g s LEU 103 CO 0.20 -1.01 0.13 -0.13 0.23 0.00 0.00 176.35 175.76 2k1g s ARG 104 N 3.46 2.89 -0.06 1.70 1.81 -1.26 -4.99 118.95 122.51 2k1g s ARG 104 Ca 0.83 -0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 53.69 2k1g s ARG 104 Cb -0.44 -2.65 -0.06 0.00 -0.45 0.00 0.00 34.95 31.36 2k1g s ARG 104 CO 0.38 0.49 1.69 0.99 -0.68 0.00 0.00 175.30 178.17 2k1g s THR 105 N -1.71 3.53 0.00 0.02 2.01 -1.26 -2.06 115.64 116.17 2k1g s THR 105 Ca 0.31 0.63 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2k1g s THR 105 Cb -0.10 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.99 2k1g s THR 105 CO 0.23 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 2k1g n GLY 106 N 4.23 1.20 3.76 4.40 0.00 0.03 -4.86 105.19 113.95 2k1g n GLY 106 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.96 6.93 -0.31 1.61 1.11 -0.87 -4.38 116.67 118.80 2k1g s ASP 107 Ca 0.00 2.50 -0.23 0.00 0.18 0.00 0.00 52.55 55.00 2k1g s ASP 107 Cb 0.00 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.36 2k1g s ASP 107 CO 0.00 -0.43 0.79 -0.76 1.18 0.00 0.00 175.17 175.95 2k1g s LEU 108 N -1.23 4.09 -0.29 1.23 1.43 0.23 -1.55 118.68 122.59 2k1g s LEU 108 Ca 0.50 0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.09 2k1g s LEU 108 Cb -0.37 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2k1g s LEU 108 CO 0.46 -0.62 0.40 0.68 0.23 0.00 0.00 176.35 177.50 2k1g s VAL 109 N 2.97 5.14 -0.17 -1.59 -7.23 -0.13 -0.28 120.40 119.11 2k1g s VAL 109 Ca 0.32 0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 60.84 2k1g s VAL 109 Cb -0.14 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 2k1g s VAL 109 CO 0.13 0.08 0.44 -0.76 -0.31 0.00 0.00 175.10 174.67 2k1g s LEU 110 N 2.13 4.20 -0.09 1.32 1.43 0.05 -1.60 118.68 126.12 2k1g s LEU 110 Ca 0.16 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2k1g s LEU 110 Cb -0.16 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 2k1g s LEU 110 CO 0.10 -0.06 -0.16 -0.36 0.23 0.00 0.00 176.35 176.10 2k1g s PHE 111 N 1.08 2.69 -0.91 0.29 0.08 0.25 -0.63 117.98 120.84 2k1g s PHE 111 Ca 0.22 -0.56 -0.24 0.00 0.12 0.00 0.00 56.93 56.46 2k1g s PHE 111 Cb -0.15 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2k1g s PHE 111 CO 0.09 -0.12 1.62 1.03 -0.10 0.00 0.00 175.22 177.73 2k1g s ARG 112 N -0.03 3.13 -0.10 0.44 0.52 -0.82 -0.93 118.95 121.17 2k1g s ARG 112 Ca -0.04 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.41 2k1g s ARG 112 Cb -0.14 -5.04 -0.05 0.00 0.52 0.00 0.00 34.95 30.24 2k1g s ARG 112 CO 0.04 -2.62 0.37 0.00 0.02 0.00 0.00 175.30 173.12 2k1g s ALA 113 N 7.05 3.61 -1.60 2.13 0.00 -0.03 -4.99 121.76 127.93 2k1g s ALA 113 Ca 0.54 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 52.09 2k1g s ALA 113 Cb -0.04 -2.44 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 2k1g s ALA 113 CO -0.01 0.21 2.91 0.41 0.00 0.00 0.00 175.76 179.28 2k1g n GLY 114 N 2.79 4.21 0.75 0.00 0.00 -1.26 -1.81 105.19 109.88 2k1g n GLY 114 Ca -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2k1g n GLY 114 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1g n SER 115 N 3.69 -0.08 0.05 1.61 2.88 -1.26 -4.93 113.62 115.59 2k1g n SER 115 Ca 0.77 0.03 0.13 0.00 -1.33 0.00 0.00 58.87 58.47 2k1g n SER 115 Cb 0.23 0.27 0.44 0.00 -0.75 0.00 0.00 64.21 64.40 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 -1.94 0.31 0.00 2.46 -2.24 -1.26 -4.98 114.28 106.64 2k1g n THR 116 Ca 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2k1g n THR 116 Cb 0.00 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 1.40 2.20 3.32 3.38 0.00 -0.75 -4.84 105.19 109.90 2k1g n GLY 117 Ca 0.06 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 3.16 0.10 1.61 3.00 -1.26 -0.85 118.95 124.72 2k1g s ARG 118 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 55.73 54.96 2k1g s ARG 118 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.69 2k1g s ARG 118 CO 0.00 -0.36 0.18 -1.58 0.00 0.00 0.00 175.30 173.54 2k1g s HIS 119 N 1.47 3.36 -0.01 -0.53 2.46 -0.10 -4.91 115.29 117.04 2k1g s HIS 119 Ca 0.03 0.13 0.01 0.00 0.47 0.00 0.00 55.06 55.70 2k1g s HIS 119 Cb -0.16 -1.66 0.00 0.00 -0.13 0.00 0.00 32.58 30.63 2k1g s HIS 119 CO 0.00 0.54 -0.04 0.54 -2.47 0.00 0.00 174.74 173.32 2k1g s VAL 120 N -1.57 0.33 0.10 0.89 0.11 -1.26 -0.58 120.40 118.42 2k1g s VAL 120 Ca 0.33 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2k1g s VAL 120 Cb -0.12 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 2k1g s VAL 120 CO 0.26 0.11 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.24 2k1g s GLY 121 N 0.14 0.79 -0.50 6.54 0.00 -0.63 -4.61 107.32 109.05 2k1g s GLY 121 Ca -0.01 -1.33 -0.20 0.00 0.00 0.00 0.00 44.72 43.17 2k1g s GLY 121 CO -0.00 -1.43 0.69 -0.42 0.00 0.00 0.00 173.10 171.93 2k1g s ILE 122 N -3.42 4.77 -0.02 0.90 1.01 -0.08 -0.95 121.20 123.41 2k1g s ILE 122 Ca 0.11 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2k1g s ILE 122 Cb 0.04 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 2k1g s ILE 122 CO -0.04 -0.82 1.69 -0.47 0.00 0.00 0.00 174.94 175.31 2k1g s TYR 123 N 2.92 1.95 -0.21 3.97 5.04 -0.59 -1.57 117.35 128.85 2k1g s TYR 123 Ca 0.20 0.12 0.05 0.00 -2.44 0.00 0.00 57.07 55.00 2k1g s TYR 123 Cb -0.17 -3.97 -0.16 0.00 0.35 0.00 0.00 41.96 38.02 2k1g s TYR 123 CO 0.15 -4.08 -0.13 0.44 -1.34 0.00 0.00 175.55 170.58 2k1g n ILE 124 N 5.37 1.25 0.00 3.14 -5.35 -0.23 -0.79 119.36 122.74 2k1g n ILE 124 Ca 0.17 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2k1g n ILE 124 Cb 0.42 -1.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 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 2.32 1.30 5.08 3.28 0.00 -1.19 -4.67 105.19 111.31 2k1g n GLY 125 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2k1g n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k1g n ASN 126 N 0.00 0.00 0.00 1.61 4.13 -1.26 -0.63 115.26 119.11 2k1g n ASN 126 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2k1g n ASN 126 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2k1g n ASN 126 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2k1g n ASN 127 N 1.30 0.00 -4.83 6.41 0.23 -1.26 -5.02 115.26 112.10 2k1g n ASN 127 Ca 0.00 -1.00 -0.37 0.00 -0.53 0.00 0.00 54.58 52.68 2k1g n ASN 127 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 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 4.10 -0.11 -3.83 -0.21 0.20 -0.26 119.66 119.55 2k1g s GLN 128 Ca 0.00 0.64 -0.20 0.00 0.02 0.00 0.00 55.36 55.82 2k1g s GLN 128 Cb 0.00 -3.04 0.05 0.00 1.00 0.00 0.00 33.01 31.02 2k1g s GLN 128 CO 0.00 0.53 0.48 -0.59 -2.12 0.00 0.00 175.29 173.59 2k1g s PHE 129 N -1.34 -0.46 -0.19 0.91 -0.71 0.13 -1.07 117.98 115.25 2k1g s PHE 129 Ca 0.35 0.97 -0.09 0.00 -1.04 0.00 0.00 56.93 57.13 2k1g s PHE 129 Cb -0.17 0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 2k1g s PHE 129 CO 0.19 -0.38 0.09 0.54 -1.34 0.00 0.00 175.22 174.33 2k1g s VAL 130 N -0.53 5.05 0.32 -2.49 0.11 -0.61 -0.33 120.40 121.92 2k1g s VAL 130 Ca -0.06 0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 2k1g s VAL 130 Cb -0.03 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.54 2k1g s VAL 130 CO 0.04 0.45 0.48 0.00 -3.33 0.00 0.00 175.10 172.74 2k1g n HIS 131 N 3.53 -1.49 -3.69 1.54 1.44 0.14 -0.90 115.22 115.79 2k1g n HIS 131 Ca -0.16 -2.00 -0.38 0.00 -2.01 0.00 0.00 57.72 53.17 2k1g n HIS 131 Cb 0.52 0.55 -0.10 0.00 0.12 0.00 0.00 29.99 31.07 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 -2.52 3.26 0.26 1.59 0.00 -1.26 -0.59 121.76 122.51 2k1g s ALA 132 Ca 0.24 -2.57 -0.30 0.00 0.00 0.00 0.00 51.96 49.33 2k1g s ALA 132 Cb -0.01 -2.58 -0.10 0.00 0.00 0.00 0.00 23.12 20.42 2k1g s ALA 132 CO 0.17 -1.86 1.39 0.45 0.00 0.00 0.00 175.76 175.91 2k1g s SER 133 N 2.10 6.71 0.59 0.00 0.15 0.17 -4.52 113.70 118.90 2k1g s SER 133 Ca 0.08 2.64 0.28 0.00 0.70 0.00 0.00 55.95 59.65 2k1g s SER 133 Cb -0.24 -2.63 1.67 0.00 -1.71 0.00 0.00 66.02 63.11 2k1g s SER 133 CO -0.03 -0.64 2.12 0.71 1.20 0.00 0.00 173.24 176.60 2k1g h THR 134 N 3.44 0.50 0.00 6.45 1.35 -1.97 -1.89 112.91 120.78 2k1g h THR 134 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2k1g h THR 134 Cb 1.22 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2k1g h THR 134 CO 0.74 0.00 -0.89 -0.24 -0.25 0.00 0.00 175.52 174.89 2k1g n SER 135 N -3.84 1.75 0.02 5.36 2.88 -1.26 -4.77 113.62 113.77 2k1g n SER 135 Ca 0.01 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 2k1g n SER 135 Cb 0.29 -0.72 -0.09 0.00 -0.75 0.00 0.00 64.21 62.94 2k1g n SER 135 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k1g h SER 136 N -0.91 -0.11 0.00 -3.46 0.02 -1.97 -3.44 113.55 103.68 2k1g h SER 136 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2k1g h SER 136 Cb 0.89 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2k1g h SER 136 CO 0.00 0.49 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 2k1g n GLY 137 N 0.68 0.35 3.58 -3.77 0.00 -0.71 -4.55 105.19 100.76 2k1g n GLY 137 Ca -0.08 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.36 3.87 0.26 1.61 1.01 -0.26 0.43 120.40 125.96 2k1g s VAL 138 Ca 0.00 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2k1g s VAL 138 Cb 0.00 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2k1g s VAL 138 CO 0.00 -1.09 0.20 0.27 0.00 0.00 0.00 175.10 174.48 2k1g s ILE 139 N 5.69 0.00 -0.23 2.22 -0.00 0.24 -4.34 121.20 124.79 2k1g s ILE 139 Ca 0.53 -1.99 -0.07 0.00 -0.00 0.00 0.00 60.65 59.12 2k1g s ILE 139 Cb -0.11 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.46 39.82 2k1g s ILE 139 CO 0.27 0.00 0.07 -0.63 -0.00 0.00 0.00 174.94 174.65 2k1g s ILE 140 N -3.84 4.46 0.46 8.37 1.01 -1.26 -0.68 121.20 129.71 2k1g s ILE 140 Ca 0.39 -0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2k1g s ILE 140 Cb 0.05 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2k1g s ILE 140 CO 0.19 0.38 0.13 -0.44 0.00 0.00 0.00 174.94 175.19 2k1g s SER 141 N 1.22 4.25 -0.00 3.58 0.01 0.55 -4.93 113.70 118.37 2k1g s SER 141 Ca 0.05 -1.33 0.01 0.00 1.31 0.00 0.00 55.95 55.98 2k1g s SER 141 Cb -0.14 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 2k1g s SER 141 CO 0.03 -0.69 -0.03 -0.44 0.41 0.00 0.00 173.24 172.53 2k1g s SER 142 N -3.91 0.34 0.00 2.44 0.01 -1.26 -0.69 113.70 110.62 2k1g s SER 142 Ca 0.29 -0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.54 2k1g s SER 142 Cb 0.04 -0.05 0.22 0.00 0.21 0.00 0.00 66.02 66.45 2k1g s SER 142 CO 0.16 0.03 1.08 0.23 0.41 0.00 0.00 173.24 175.15 2k1g n MET 143 N 3.07 0.93 0.21 12.44 2.81 0.63 -2.00 117.12 135.22 2k1g n MET 143 Ca -0.13 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.86 2k1g n MET 143 Cb 0.59 -1.06 0.21 0.00 -0.71 0.00 0.00 33.22 32.24 2k1g n MET 143 CO 0.00 0.00 0.00 -2.95 1.51 0.00 0.00 175.97 174.53 2k1g h ASN 144 N 0.00 0.00 -2.86 7.83 7.08 -1.96 -3.27 115.58 122.41 2k1g h ASN 144 Ca 0.00 0.00 -0.54 0.00 -3.08 0.00 0.00 56.30 52.68 2k1g h ASN 144 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.25 2k1g h ASN 144 CO 0.00 0.10 0.87 -1.61 -2.08 0.00 0.00 177.43 174.71 2k1g s GLU 145 N -3.23 4.26 0.26 4.14 2.02 -0.85 -4.88 118.70 120.43 2k1g s GLU 145 Ca 0.06 2.10 -0.07 0.00 0.02 0.00 0.00 54.97 57.08 2k1g s GLU 145 Cb 0.06 -3.52 0.47 0.00 0.10 0.00 0.00 34.13 31.24 2k1g s GLU 145 CO 0.67 -0.60 1.60 -1.35 0.02 0.00 0.00 175.26 175.60 2k1g h PRO 146 N 7.79 0.04 -0.24 0.39 0.11 -1.89 0.04 132.00 138.23 2k1g h PRO 146 Ca -0.40 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.74 2k1g h PRO 146 Cb 1.19 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2k1g h PRO 146 CO 0.90 0.03 0.05 -0.92 -0.21 0.00 0.00 178.00 177.85 2k1g h TYR 147 N 0.04 0.09 -0.12 0.65 3.20 -1.95 -2.83 116.97 116.06 2k1g h TYR 147 Ca 0.45 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 62.10 2k1g h TYR 147 Cb 0.78 -0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.06 2k1g h TYR 147 CO -0.54 0.03 -0.83 -1.49 -1.64 0.00 0.00 178.16 173.69 2k1g h TRP 148 N 0.15 1.03 -0.68 -3.82 4.06 -1.50 -2.17 115.95 113.02 2k1g h TRP 148 Ca 0.11 -0.47 0.09 0.00 2.06 0.00 0.00 58.89 60.67 2k1g h TRP 148 Cb 0.10 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.05 2k1g h TRP 148 CO -0.15 1.30 0.33 -0.22 -3.56 0.00 0.00 178.44 176.15 2k1g h LYS 149 N 0.49 0.57 0.00 0.49 3.64 -0.96 -1.73 116.57 119.07 2k1g h LYS 149 Ca -0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2k1g h LYS 149 Cb 1.46 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2k1g h LYS 149 CO 0.17 0.37 -1.10 0.36 -2.27 0.00 0.00 179.45 176.98 2k1g n LYS 150 N -4.87 0.59 0.13 1.90 2.85 -1.08 -3.96 118.16 113.71 2k1g n LYS 150 Ca 0.10 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.57 2k1g n LYS 150 Cb 0.25 -1.78 0.24 0.00 -0.65 0.00 0.00 35.03 33.09 2k1g n LYS 150 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 2k1g h ARG 151 N 0.00 0.00 -6.05 -1.58 9.65 -1.05 -3.45 114.38 111.90 2k1g h ARG 151 Ca 0.00 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 58.29 2k1g h ARG 151 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2k1g h ARG 151 CO 0.00 0.00 1.43 0.98 2.80 0.00 0.00 179.97 185.18 2k1g n TYR 152 N -2.50 2.02 -0.07 2.20 9.36 -0.68 -1.94 117.16 125.54 2k1g n TYR 152 Ca 0.04 -0.11 -0.05 0.00 3.32 0.00 0.00 57.90 61.09 2k1g n TYR 152 Cb 0.47 -2.72 -0.03 0.00 -0.63 0.00 0.00 39.34 36.44 2k1g n TYR 152 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2k1g h ASN 153 N 13.92 0.00 -4.42 2.98 -1.24 -1.19 -3.49 115.58 122.14 2k1g h ASN 153 Ca -0.41 -0.11 0.05 0.00 0.71 0.00 0.00 56.30 56.55 2k1g h ASN 153 Cb 1.25 0.00 -0.20 0.00 0.73 0.00 0.00 38.32 40.10 2k1g h ASN 153 CO 0.96 0.74 0.45 -1.83 -1.29 0.00 0.00 177.43 176.47 2k1g s GLU 154 N -2.00 0.75 -0.00 6.67 -1.05 -1.22 -5.03 118.70 116.82 2k1g s GLU 154 Ca -0.11 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 2k1g s GLU 154 Cb 0.01 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 2k1g s GLU 154 CO 0.20 -0.26 0.05 0.00 0.95 0.00 0.00 175.26 176.21 2k1g s ALA 155 N -1.57 3.48 -0.09 -0.84 0.00 -1.24 -0.77 121.76 120.72 2k1g s ALA 155 Ca -0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2k1g s ALA 155 Cb -0.00 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2k1g s ALA 155 CO 0.01 0.67 -0.00 1.03 0.00 0.00 0.00 175.76 177.47 2k1g s ARG 156 N -1.67 0.74 -0.10 0.00 0.52 0.61 -0.39 118.95 118.66 2k1g s ARG 156 Ca 0.22 -0.00 -0.29 0.00 -0.52 0.00 0.00 55.73 55.13 2k1g s ARG 156 Cb -0.12 -1.19 -0.01 0.00 0.52 0.00 0.00 34.95 34.15 2k1g s ARG 156 CO 0.13 -0.34 0.97 -0.98 0.02 0.00 0.00 175.30 175.10 2k1g s ARG 157 N 1.92 4.42 -0.00 3.54 3.03 -0.96 -0.60 118.95 130.29 2k1g s ARG 157 Ca 0.04 1.33 0.19 0.00 2.03 0.00 0.00 55.73 59.32 2k1g s ARG 157 Cb -0.13 -3.54 -0.21 0.00 -1.03 0.00 0.00 34.95 30.05 2k1g s ARG 157 CO -0.06 -0.28 0.78 1.33 -1.13 0.00 0.00 175.30 175.94 2k1g n VAL 158 N 4.50 0.00 -2.79 4.99 0.24 -1.26 -3.85 118.33 120.15 2k1g n VAL 158 Ca 0.08 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2k1g n VAL 158 Cb 0.49 0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 33.78 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 -2.96 3.96 -0.90 1.34 1.43 -1.26 -4.99 118.68 115.30 2k1g s LEU 159 Ca 0.06 0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 2k1g s LEU 159 Cb 0.14 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 43.24 2k1g s LEU 159 CO 0.78 -1.14 1.61 -0.94 0.23 0.00 0.00 176.35 176.89 2k1g s SER 160 N 2.47 5.92 0.54 2.29 1.04 -1.26 -4.97 113.70 119.72 2k1g s SER 160 Ca 0.37 -0.88 0.07 0.00 0.48 0.00 0.00 55.95 55.98 2k1g s SER 160 Cb -0.10 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.50 2k1g s SER 160 CO 0.25 -2.02 0.52 -0.13 0.98 0.00 0.00 173.24 172.84 2k1g s ARG 161 N 5.91 2.31 0.26 4.02 3.00 -1.26 -5.07 118.95 128.12 2k1g s ARG 161 Ca 0.54 -1.84 -0.30 0.00 0.00 0.00 0.00 55.73 54.13 2k1g s ARG 161 Cb -0.04 -2.31 -0.14 0.00 0.00 0.00 0.00 34.95 32.46 2k1g s ARG 161 CO -0.00 -0.63 1.27 0.45 0.00 0.00 0.00 175.30 176.39 2k1g n SER 162 N -1.88 2.27 -2.22 0.23 2.88 -1.26 -5.01 113.62 108.62 2k1g n SER 162 Ca 0.04 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2k1g n SER 162 Cb 0.63 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2k1g n SER 162 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k1g n LEU 163 N 1.69 0.00 0.00 2.46 7.99 -1.26 -5.29 117.00 122.59 2k1g n LEU 163 Ca 0.10 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.20 2k1g n LEU 163 Cb 0.31 0.00 0.56 0.00 -0.11 0.00 0.00 43.42 44.18 2k1g n LEU 163 CO 0.62 -0.35 0.76 -0.62 -1.51 0.00 0.00 177.39 176.28