#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1g n ASN 37 N 0.00 1.08 -4.66 3.17 6.94 -1.26 -5.15 115.26 115.39 2k1g n ASN 37 Ca 0.00 -2.51 -0.35 0.00 -0.02 0.00 0.00 54.58 51.70 2k1g n ASN 37 Cb 0.00 0.73 -0.09 0.00 -2.36 0.00 0.00 39.78 38.06 2k1g n ASN 37 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k1g s VAL 38 N -2.62 4.99 -0.16 3.53 1.01 -1.26 -5.10 120.40 120.80 2k1g s VAL 38 Ca 0.15 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2k1g s VAL 38 Cb 0.01 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2k1g s VAL 38 CO 0.10 0.44 0.11 -0.62 0.00 0.00 0.00 175.10 175.13 2k1g s ASP 39 N 0.47 6.07 0.14 3.32 2.15 -1.26 -5.02 116.67 122.55 2k1g s ASP 39 Ca 0.05 0.28 -0.18 0.00 0.43 0.00 0.00 52.55 53.13 2k1g s ASP 39 Cb -0.12 -2.00 0.01 0.00 -0.30 0.00 0.00 42.92 40.51 2k1g s ASP 39 CO 0.00 0.28 1.74 0.58 -0.17 0.00 0.00 175.17 177.60 2k1g h VAL 40 N 4.41 0.90 -0.60 1.11 2.07 -1.99 -2.65 116.25 119.50 2k1g h VAL 40 Ca -0.46 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2k1g h VAL 40 Cb 1.19 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 2k1g h VAL 40 CO 0.66 0.03 0.40 0.50 0.02 0.00 0.00 177.57 179.19 2k1g h LYS 41 N 0.19 0.79 -0.35 1.57 3.64 -1.94 -2.58 116.57 117.88 2k1g h LYS 41 Ca 0.13 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.53 2k1g h LYS 41 Cb 0.11 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 2k1g h LYS 41 CO -0.15 0.53 -0.07 1.03 -2.27 0.00 0.00 179.45 178.52 2k1g h SER 42 N 0.82 -0.29 -0.46 4.20 0.87 -1.90 0.22 113.55 117.00 2k1g h SER 42 Ca 0.22 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 2k1g h SER 42 Cb -0.09 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2k1g h SER 42 CO -0.05 -0.10 0.17 0.03 -0.53 0.00 0.00 176.83 176.35 2k1g h ARG 43 N 0.02 0.69 -0.50 2.24 3.08 -1.36 -1.27 114.38 117.27 2k1g h ARG 43 Ca 0.17 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 2k1g h ARG 43 Cb 0.26 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2k1g h ARG 43 CO -0.35 0.64 0.07 0.82 -1.07 0.00 0.00 179.97 180.08 2k1g h ILE 44 N 0.60 1.23 -0.47 2.04 2.04 -1.04 -1.76 117.51 120.15 2k1g h ILE 44 Ca 0.15 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 2k1g h ILE 44 Cb 0.22 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2k1g h ILE 44 CO -0.01 0.32 -0.04 0.24 0.00 0.00 0.00 178.15 178.66 2k1g h MET 45 N 0.76 0.81 -0.73 2.37 2.86 -0.37 -0.63 114.93 120.00 2k1g h MET 45 Ca 0.16 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2k1g h MET 45 Cb 0.36 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2k1g h MET 45 CO 0.01 0.84 0.48 0.22 1.06 0.00 0.00 176.91 179.52 2k1g h ASP 46 N 0.74 0.82 0.32 1.22 3.58 -0.65 0.75 116.42 123.22 2k1g h ASP 46 Ca 0.14 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2k1g h ASP 46 Cb 0.51 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.36 2k1g h ASP 46 CO 0.03 0.59 -0.15 -0.61 -2.88 0.00 0.00 179.24 176.21 2k1g h GLN 47 N 0.97 -0.42 -1.00 0.28 5.75 -0.71 -3.00 115.11 116.99 2k1g h GLN 47 Ca 0.27 0.03 0.20 0.00 -0.15 0.00 0.00 58.65 59.00 2k1g h GLN 47 Cb -0.08 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 28.46 2k1g h GLN 47 CO -0.06 -0.19 0.61 -0.92 -2.65 0.00 0.00 178.83 175.62 2k1g h TYR 48 N -0.57 1.01 -0.78 3.99 3.20 -0.58 0.13 116.97 123.37 2k1g h TYR 48 Ca -0.04 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2k1g h TYR 48 Cb 0.42 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2k1g h TYR 48 CO -0.02 0.22 0.51 0.00 -1.64 0.00 0.00 178.16 177.23 2k1g h ALA 49 N 1.64 1.66 0.00 1.82 0.00 -0.73 -0.15 119.26 123.51 2k1g h ALA 49 Ca 0.57 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 2k1g h ALA 49 Cb 0.96 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k1g h ALA 49 CO -0.37 0.21 -0.45 0.22 0.00 0.00 0.00 179.25 178.86 2k1g h ASP 50 N 0.82 0.00 -0.47 0.00 3.58 -0.62 -3.23 116.42 116.50 2k1g h ASP 50 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2k1g h ASP 50 Cb 0.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2k1g h ASP 50 CO -0.12 0.45 0.00 0.79 -2.88 0.00 0.00 179.24 177.48 2k1g n TRP 51 N -3.56 0.78 -1.85 0.28 7.02 -0.55 -4.99 117.44 114.57 2k1g n TRP 51 Ca -0.00 -0.56 -0.42 0.00 -1.02 0.00 0.00 57.50 55.50 2k1g n TRP 51 Cb 0.56 -0.08 -0.03 0.00 -2.42 0.00 0.00 31.31 29.34 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 -1.32 4.18 0.00 -0.99 1.02 -0.18 -2.33 119.74 120.12 2k1g s LYS 52 Ca 0.35 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.79 2k1g s LYS 52 Cb 0.20 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2k1g s LYS 52 CO 0.20 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.34 2k1g n GLY 53 N 3.92 2.87 3.72 -3.33 0.00 -1.26 -5.05 105.19 106.07 2k1g n GLY 53 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.60 3.31 0.92 1.61 1.01 -0.98 -4.92 120.40 118.75 2k1g s VAL 54 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 2k1g s VAL 54 Cb 0.00 -3.63 0.19 0.00 0.00 0.00 0.00 36.38 32.94 2k1g s VAL 54 CO 0.00 0.10 1.27 -0.13 0.00 0.00 0.00 175.10 176.34 2k1g s ARG 55 N 0.65 0.78 -0.22 2.72 0.52 -1.26 -0.94 118.95 121.20 2k1g s ARG 55 Ca 0.61 -0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 55.01 2k1g s ARG 55 Cb -0.36 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 2k1g s ARG 55 CO 0.33 -2.27 0.80 -0.47 0.02 0.00 0.00 175.30 173.71 2k1g s TYR 56 N -3.76 3.35 -0.11 -0.53 6.14 -1.26 -0.82 117.35 120.36 2k1g s TYR 56 Ca 0.73 1.14 -0.03 0.00 0.64 0.00 0.00 57.07 59.55 2k1g s TYR 56 Cb -0.04 -3.01 0.04 0.00 0.42 0.00 0.00 41.96 39.38 2k1g s TYR 56 CO 0.52 -0.33 0.05 0.50 0.64 0.00 0.00 175.55 176.93 2k1g s ARG 57 N 2.52 0.31 -0.21 4.97 3.52 -1.00 -4.67 118.95 124.38 2k1g s ARG 57 Ca 0.35 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 2k1g s ARG 57 Cb -0.16 -1.30 -0.02 0.00 -1.56 0.00 0.00 34.95 31.91 2k1g s ARG 57 CO 0.09 -0.47 1.42 -1.17 -0.81 0.00 0.00 175.30 174.36 2k1g s LEU 58 N 2.04 4.01 0.00 -0.88 2.96 -1.26 -1.05 118.68 124.51 2k1g s LEU 58 Ca 0.03 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 2k1g s LEU 58 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2k1g s LEU 58 CO -0.06 -1.03 0.00 0.61 -1.32 0.00 0.00 176.35 174.55 2k1g n GLY 59 N 4.21 2.10 3.12 7.98 0.00 -1.26 -4.88 105.19 116.46 2k1g n GLY 59 Ca 0.16 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 2k1g n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1g n GLY 60 N 0.00 2.62 3.58 -0.02 0.00 -1.25 -4.91 105.19 105.21 2k1g n GLY 60 Ca 0.00 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2k1g n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1g s SER 61 N 4.92 5.78 0.29 1.61 1.04 -1.26 -4.37 113.70 121.70 2k1g s SER 61 Ca 0.57 0.94 -0.20 0.00 0.48 0.00 0.00 55.95 57.75 2k1g s SER 61 Cb 0.12 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.75 2k1g s SER 61 CO 0.09 -1.86 0.77 0.28 0.98 0.00 0.00 173.24 173.50 2k1g s THR 62 N 7.31 0.00 -0.51 2.02 -1.32 -0.12 -5.00 115.64 118.01 2k1g s THR 62 Ca 0.73 -0.95 0.22 0.00 -1.21 0.00 0.00 61.69 60.48 2k1g s THR 62 Cb -0.18 -2.25 0.23 0.00 -1.51 0.00 0.00 72.50 68.79 2k1g s THR 62 CO 0.30 0.00 1.67 0.29 -2.21 0.00 0.00 174.62 174.66 2k1g n LYS 63 N -0.49 0.16 0.15 7.08 4.01 -1.26 -0.87 118.16 126.94 2k1g n LYS 63 Ca -0.05 0.43 0.13 0.00 -0.51 0.00 0.00 58.31 58.31 2k1g n LYS 63 Cb 0.59 -1.84 0.39 0.00 -0.51 0.00 0.00 35.03 33.66 2k1g n LYS 63 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2k1g h LYS 64 N 0.00 0.00 0.00 1.97 6.56 -1.95 -3.44 116.57 119.71 2k1g h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k1g h LYS 64 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2k1g h LYS 64 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2k1g n GLY 65 N 0.97 3.36 3.41 3.86 0.00 -0.05 -4.49 105.19 112.25 2k1g n GLY 65 Ca 0.04 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.44 0.02 0.09 -0.61 2.07 0.00 -0.95 121.20 120.39 2k1g s ILE 66 Ca 0.00 -0.16 0.01 0.00 -1.41 0.00 0.00 60.65 59.08 2k1g s ILE 66 Cb 0.00 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.78 2k1g s ILE 66 CO 0.00 -0.09 0.13 -0.90 -1.91 0.00 0.00 174.94 172.17 2k1g n ASP 67 N 1.37 0.24 -0.02 4.50 5.75 -0.21 -2.38 116.55 125.80 2k1g n ASP 67 Ca -0.19 -1.19 -0.13 0.00 -0.01 0.00 0.00 54.79 53.27 2k1g n ASP 67 Cb 0.56 -0.08 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 2k1g n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k1g h SER 69 N -0.56 0.96 -0.80 0.00 4.64 -1.94 -1.71 113.55 114.13 2k1g h SER 69 Ca -0.00 -0.33 -0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2k1g h SER 69 Cb 0.55 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 2k1g h SER 69 CO 0.00 1.06 0.39 1.23 -0.87 0.00 0.00 176.83 178.64 2k1g h GLY 70 N 0.83 1.23 0.74 -0.77 0.00 -1.87 -1.13 103.07 102.10 2k1g h GLY 70 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2k1g h GLY 70 CO 0.04 0.58 -0.22 -2.75 0.00 0.00 0.00 176.54 174.19 2k1g h PHE 71 N 1.13 -0.56 -0.80 5.60 3.57 -1.04 -2.12 116.94 122.72 2k1g h PHE 71 Ca 0.28 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2k1g h PHE 71 Cb 0.11 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 2k1g h PHE 71 CO 0.01 -0.24 0.51 -0.24 -2.23 0.00 0.00 178.31 176.12 2k1g h VAL 72 N -0.87 1.15 0.26 1.41 3.04 -1.36 -1.64 116.25 118.24 2k1g h VAL 72 Ca -0.06 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2k1g h VAL 72 Cb 0.57 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.86 2k1g h VAL 72 CO 0.10 0.19 -0.46 -0.61 -1.01 0.00 0.00 177.57 175.78 2k1g h GLN 73 N 1.01 -0.74 -0.45 4.17 4.15 -1.20 -2.73 115.11 119.32 2k1g h GLN 73 Ca 0.31 0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.83 2k1g h GLN 73 Cb -0.03 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 2k1g h GLN 73 CO -0.10 -0.49 0.20 0.00 -1.93 0.00 0.00 178.83 176.51 2k1g h ARG 74 N -0.77 0.39 -0.50 1.69 3.08 -1.22 -1.49 114.38 115.56 2k1g h ARG 74 Ca -0.03 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.10 2k1g h ARG 74 Cb 0.72 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.58 2k1g h ARG 74 CO -0.16 0.26 -0.13 1.15 -1.07 0.00 0.00 179.97 180.01 2k1g h THR 75 N 0.40 0.48 0.19 2.04 2.02 -1.17 -0.01 112.91 116.87 2k1g h THR 75 Ca 0.20 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.12 2k1g h THR 75 Cb 0.14 0.48 0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2k1g h THR 75 CO -0.17 0.00 -1.15 -0.26 0.37 0.00 0.00 175.52 174.31 2k1g h PHE 76 N -0.01 0.74 -0.21 3.16 -1.00 -1.30 -2.47 116.94 115.85 2k1g h PHE 76 Ca 0.24 -0.54 -0.08 0.00 2.81 0.00 0.00 57.97 60.40 2k1g h PHE 76 Cb 0.38 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 2k1g h PHE 76 CO -0.43 1.44 -0.23 0.07 -1.61 0.00 0.00 178.31 177.55 2k1g h ARG 77 N -0.13 0.38 0.07 1.51 0.11 -1.12 0.31 114.38 115.51 2k1g h ARG 77 Ca -0.20 -0.13 -0.24 0.00 0.10 0.00 0.00 59.98 59.51 2k1g h ARG 77 Cb 1.89 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.93 2k1g h ARG 77 CO 0.20 0.60 -1.25 0.93 0.10 0.00 0.00 179.97 180.55 2k1g h GLU 78 N 0.34 0.15 0.00 0.08 4.39 -1.11 -3.07 114.58 115.36 2k1g h GLU 78 Ca 0.05 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 2k1g h GLU 78 Cb 0.60 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2k1g h GLU 78 CO 0.04 1.12 -0.37 1.96 -1.16 0.00 0.00 179.01 180.60 2k1g h GLN 79 N -0.55 0.00 -0.01 2.33 4.20 -1.52 -3.39 115.11 116.17 2k1g h GLN 79 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2k1g h GLN 79 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 2k1g h GLN 79 CO -0.02 0.83 -0.53 1.19 -0.67 0.00 0.00 178.83 179.63 2k1g n PHE 80 N -4.58 0.00 -3.41 2.96 3.72 -0.17 -4.98 117.46 111.00 2k1g n PHE 80 Ca -0.15 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 2k1g n PHE 80 Cb 0.47 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.42 -0.35 3.61 1.37 0.00 0.92 -4.94 105.19 107.22 2k1g n GLY 81 Ca 0.09 0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -6.40 3.34 -0.14 0.99 2.96 -0.64 -4.91 118.68 113.88 2k1g s LEU 82 Ca 0.34 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 2k1g s LEU 82 Cb -0.15 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2k1g s LEU 82 CO 0.66 0.35 1.56 -1.61 -1.32 0.00 0.00 176.35 175.99 2k1g s GLU 83 N -0.71 4.04 -0.02 1.98 2.02 -1.26 -3.15 118.70 121.61 2k1g s GLU 83 Ca 0.11 1.89 0.01 0.00 0.02 0.00 0.00 54.97 56.99 2k1g s GLU 83 Cb -0.11 -3.96 0.01 0.00 0.10 0.00 0.00 34.13 30.17 2k1g s GLU 83 CO 0.02 -0.99 -0.03 -0.51 0.02 0.00 0.00 175.26 173.77 2k1g s LEU 84 N 4.38 1.61 0.94 1.80 1.43 -1.26 -5.03 118.68 122.54 2k1g s LEU 84 Ca 0.69 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.58 2k1g s LEU 84 Cb -0.28 -0.26 0.16 0.00 0.03 0.00 0.00 46.19 45.85 2k1g s LEU 84 CO 0.26 -0.02 1.21 -2.16 0.23 0.00 0.00 176.35 175.88 2k1g s PRO 85 N 0.45 0.89 -0.11 1.29 0.04 -1.26 -4.96 135.00 131.35 2k1g s PRO 85 Ca -0.05 -0.04 0.14 0.00 0.04 0.00 0.00 61.00 61.09 2k1g s PRO 85 Cb -0.08 -1.84 0.59 0.00 0.04 0.00 0.00 34.50 33.21 2k1g s PRO 85 CO -0.01 -2.30 1.46 0.54 0.04 0.00 0.00 177.00 176.73 2k1g n ARG 86 N -3.77 3.39 -3.73 4.56 1.74 -1.26 -4.81 116.66 112.77 2k1g n ARG 86 Ca 0.11 -2.32 -0.14 0.00 -0.77 0.00 0.00 57.85 54.72 2k1g n ARG 86 Cb 0.60 -1.85 -0.15 0.00 -1.02 0.00 0.00 32.46 30.04 2k1g n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2k1g s SER 87 N -0.76 0.10 0.37 0.55 0.01 -1.26 -4.81 113.70 107.89 2k1g s SER 87 Ca 0.41 0.28 0.13 0.00 1.31 0.00 0.00 55.95 58.07 2k1g s SER 87 Cb 0.28 0.17 0.93 0.00 0.21 0.00 0.00 66.02 67.61 2k1g s SER 87 CO 0.18 -0.17 1.81 0.74 0.41 0.00 0.00 173.24 176.21 2k1g h THR 88 N 6.16 0.67 -0.37 1.44 2.02 -1.90 0.60 112.91 121.53 2k1g h THR 88 Ca -0.37 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.68 2k1g h THR 88 Cb 1.13 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2k1g h THR 88 CO 0.37 0.10 0.26 1.88 0.37 0.00 0.00 175.52 178.50 2k1g h TYR 89 N 0.57 0.25 0.19 3.16 0.05 -1.96 0.76 116.97 119.99 2k1g h TYR 89 Ca 0.54 0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.99 2k1g h TYR 89 Cb 1.10 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 38.77 2k1g h TYR 89 CO -0.00 0.13 -1.58 0.93 -1.05 0.00 0.00 178.16 176.59 2k1g h GLU 90 N 0.25 0.40 0.00 4.88 5.08 -1.33 -3.34 114.58 120.52 2k1g h GLU 90 Ca 0.17 -0.68 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 2k1g h GLU 90 Cb 0.35 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k1g h GLU 90 CO -0.03 1.30 -0.16 1.96 -1.00 0.00 0.00 179.01 181.08 2k1g h GLN 91 N 0.11 0.00 0.00 2.33 4.20 -0.42 -2.26 115.11 119.07 2k1g h GLN 91 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2k1g h GLN 91 Cb 2.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.88 2k1g h GLN 91 CO 0.21 0.16 0.00 -0.56 -0.67 0.00 0.00 178.83 177.97 2k1g h GLN 92 N 0.00 0.00 0.00 1.46 3.07 -1.01 -3.32 115.11 115.31 2k1g h GLN 92 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.71 2k1g h GLN 92 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 2k1g h GLN 92 CO 0.02 0.00 -1.48 -0.85 0.09 0.00 0.00 178.83 176.61 2k1g n GLU 93 N -2.38 0.65 0.15 0.06 0.28 -0.99 -4.61 120.64 113.80 2k1g n GLU 93 Ca 0.05 -0.08 0.13 0.00 -0.16 0.00 0.00 57.16 57.10 2k1g n GLU 93 Cb 0.41 -1.23 0.45 0.00 1.43 0.00 0.00 31.44 32.49 2k1g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k1g h MET 94 N 0.00 0.00 -5.94 3.44 -0.00 -1.52 -3.46 114.93 107.45 2k1g h MET 94 Ca -0.04 0.00 -0.55 0.00 -0.00 0.00 0.00 59.70 59.11 2k1g h MET 94 Cb 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.15 2k1g h MET 94 CO 0.00 0.00 -0.47 0.20 -0.00 0.00 0.00 176.91 176.64 2k1g s GLY 95 N -3.71 2.31 -0.05 -3.00 0.00 -1.26 -5.03 107.32 96.58 2k1g s GLY 95 Ca 0.07 -2.05 -0.19 0.00 0.00 0.00 0.00 44.72 42.55 2k1g s GLY 95 CO 0.52 -1.88 0.51 0.54 0.00 0.00 0.00 173.10 172.80 2k1g s LYS 96 N -3.95 4.26 0.08 2.90 -0.14 -1.26 -4.97 119.74 116.66 2k1g s LYS 96 Ca 0.42 0.56 -0.30 0.00 -1.36 0.00 0.00 55.97 55.29 2k1g s LYS 96 Cb 0.03 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.76 2k1g s LYS 96 CO 0.23 0.33 1.03 -1.12 -0.76 0.00 0.00 175.35 175.06 2k1g s SER 97 N 0.03 7.36 0.14 2.83 0.01 -1.26 -3.53 113.70 119.28 2k1g s SER 97 Ca 0.28 1.84 0.03 0.00 1.31 0.00 0.00 55.95 59.40 2k1g s SER 97 Cb -0.17 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 2k1g s SER 97 CO 0.14 -0.21 -0.05 0.68 0.41 0.00 0.00 173.24 174.20 2k1g s VAL 98 N 0.43 0.83 0.31 3.43 -7.23 0.11 -4.96 120.40 113.32 2k1g s VAL 98 Ca 0.51 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2k1g s VAL 98 Cb -0.25 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.81 2k1g s VAL 98 CO 0.30 -0.69 0.07 -0.24 -0.31 0.00 0.00 175.10 174.23 2k1g n SER 99 N -0.16 2.59 -0.34 4.85 2.88 -1.26 -1.85 113.62 120.33 2k1g n SER 99 Ca -0.10 -2.25 -0.10 0.00 -1.33 0.00 0.00 58.87 55.09 2k1g n SER 99 Cb 0.62 0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.03 0.00 -1.46 2.47 -1.99 -0.15 114.38 113.22 2k1g h ARG 100 Ca -0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 2k1g h ARG 100 Cb 0.75 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 2k1g h ARG 100 CO 0.39 -0.02 0.00 0.77 0.56 0.00 0.00 179.97 181.67 2k1g h SER 101 N -0.03 0.00 0.41 7.04 0.02 -2.06 -2.97 113.55 115.95 2k1g h SER 101 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2k1g h SER 101 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2k1g h SER 101 CO -0.77 0.00 -0.97 0.59 -1.14 0.00 0.00 176.83 174.53 2k1g n ASN 102 N -2.60 0.63 -4.74 3.07 4.13 -0.10 -4.98 115.26 110.66 2k1g n ASN 102 Ca 0.01 -0.27 -0.37 0.00 1.68 0.00 0.00 54.58 55.63 2k1g n ASN 102 Cb 0.24 0.76 0.05 0.00 -1.54 0.00 0.00 39.78 39.29 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 -3.77 3.69 0.00 3.41 1.43 -1.00 -4.91 118.68 117.53 2k1g s LEU 103 Ca 0.05 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 2k1g s LEU 103 Cb 0.15 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.86 2k1g s LEU 103 CO 0.80 -1.73 0.00 0.54 0.23 0.00 0.00 176.35 176.19 2k1g n ARG 104 N -1.52 1.15 -2.87 1.70 1.74 -1.26 -5.09 116.66 110.51 2k1g n ARG 104 Ca 0.13 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 2k1g n ARG 104 Cb 0.48 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.87 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 -0.73 4.49 0.00 0.55 2.01 -1.26 -3.89 115.64 116.82 2k1g s THR 105 Ca 0.00 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2k1g s THR 105 Cb 0.00 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 68.07 2k1g s THR 105 CO 0.00 -0.91 0.00 0.61 -0.69 0.00 0.00 174.62 173.63 2k1g n GLY 106 N 5.02 1.40 3.67 4.40 0.00 -0.77 -4.85 105.19 114.05 2k1g n GLY 106 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.35 6.60 -0.41 1.61 1.11 -1.25 -4.65 116.67 118.34 2k1g s ASP 107 Ca 0.00 2.39 -0.29 0.00 0.18 0.00 0.00 52.55 54.83 2k1g s ASP 107 Cb 0.00 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.47 2k1g s ASP 107 CO 0.00 -0.95 1.32 -0.76 1.18 0.00 0.00 175.17 175.96 2k1g s LEU 108 N 3.87 3.65 -0.04 1.23 1.43 0.34 -2.36 118.68 126.80 2k1g s LEU 108 Ca 0.77 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 2k1g s LEU 108 Cb -0.37 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2k1g s LEU 108 CO 0.33 -1.32 0.33 0.68 0.23 0.00 0.00 176.35 176.59 2k1g s VAL 109 N 4.99 5.18 -0.13 -1.59 -7.23 0.03 -0.67 120.40 120.98 2k1g s VAL 109 Ca 0.57 0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 61.35 2k1g s VAL 109 Cb -0.12 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.17 2k1g s VAL 109 CO 0.31 0.59 0.01 -0.76 -0.31 0.00 0.00 175.10 174.94 2k1g s LEU 110 N -1.06 3.57 -0.05 1.32 1.43 0.63 -0.81 118.68 123.69 2k1g s LEU 110 Ca 0.21 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2k1g s LEU 110 Cb -0.15 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2k1g s LEU 110 CO 0.10 0.27 -0.17 -0.36 0.23 0.00 0.00 176.35 176.42 2k1g s PHE 111 N -0.24 1.79 -0.91 0.29 0.08 -0.06 -1.14 117.98 117.78 2k1g s PHE 111 Ca 0.06 -0.56 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 2k1g s PHE 111 Cb -0.12 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.11 2k1g s PHE 111 CO 0.02 -0.21 1.72 1.03 -0.10 0.00 0.00 175.22 177.68 2k1g s ARG 112 N 0.16 2.98 -0.07 0.44 0.52 -0.73 -2.06 118.95 120.18 2k1g s ARG 112 Ca -0.07 -0.51 -0.18 0.00 -0.52 0.00 0.00 55.73 54.45 2k1g s ARG 112 Cb -0.13 -5.06 -0.05 0.00 0.52 0.00 0.00 34.95 30.23 2k1g s ARG 112 CO 0.03 -2.82 0.49 0.00 0.02 0.00 0.00 175.30 173.01 2k1g s ALA 113 N 7.88 3.52 0.44 2.13 0.00 0.37 -4.91 121.76 131.19 2k1g s ALA 113 Ca 0.59 -0.15 0.25 0.00 0.00 0.00 0.00 51.96 52.65 2k1g s ALA 113 Cb -0.05 -2.61 1.40 0.00 0.00 0.00 0.00 23.12 21.86 2k1g s ALA 113 CO -0.01 0.13 2.07 0.78 0.00 0.00 0.00 175.76 178.73 2k1g h GLY 114 N 6.09 0.00 0.06 0.00 0.00 -1.93 0.34 103.07 107.64 2k1g h GLY 114 Ca -0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2k1g h GLY 114 CO 0.72 0.00 -0.01 1.76 0.00 0.00 0.00 176.54 179.00 2k1g h SER 115 N 0.00 -0.03 0.00 0.19 0.02 -2.01 -3.43 113.55 108.29 2k1g h SER 115 Ca -0.00 -0.57 -0.39 0.00 -0.84 0.00 0.00 61.79 59.99 2k1g h SER 115 Cb 0.30 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 2k1g h SER 115 CO 0.02 0.73 -2.33 0.35 -1.14 0.00 0.00 176.83 174.46 2k1g n THR 116 N -4.72 1.31 0.00 -2.27 -2.24 -1.20 -5.08 114.28 100.08 2k1g n THR 116 Ca -0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2k1g n THR 116 Cb 0.29 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.76 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 1.61 2.38 3.40 3.38 0.00 0.12 -4.96 105.19 111.13 2k1g n GLY 117 Ca -0.46 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 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 3.27 -0.07 1.61 3.00 -1.26 -0.48 118.95 125.02 2k1g s ARG 118 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 55.73 54.21 2k1g s ARG 118 Cb 0.00 -4.45 -0.04 0.00 0.00 0.00 0.00 34.95 30.46 2k1g s ARG 118 CO 0.00 -1.62 0.05 -1.58 0.00 0.00 0.00 175.30 172.15 2k1g s HIS 119 N 2.60 3.27 -0.03 -0.53 2.46 -0.88 -4.87 115.29 117.31 2k1g s HIS 119 Ca 0.20 0.25 0.05 0.00 0.47 0.00 0.00 55.06 56.02 2k1g s HIS 119 Cb -0.16 -1.79 -0.01 0.00 -0.13 0.00 0.00 32.58 30.49 2k1g s HIS 119 CO 0.01 0.54 -0.16 0.54 -2.47 0.00 0.00 174.74 173.20 2k1g s VAL 120 N -1.00 1.31 0.11 0.89 0.11 -1.26 -0.88 120.40 119.68 2k1g s VAL 120 Ca 0.16 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 2k1g s VAL 120 Cb -0.12 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.58 2k1g s VAL 120 CO 0.06 0.38 -0.08 -0.83 -3.33 0.00 0.00 175.10 171.30 2k1g s GLY 121 N -0.17 0.87 -0.43 6.54 0.00 0.01 -4.72 107.32 109.42 2k1g s GLY 121 Ca 0.02 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.15 2k1g s GLY 121 CO 0.01 -1.50 0.58 -0.42 0.00 0.00 0.00 173.10 171.77 2k1g s ILE 122 N -3.48 4.91 -0.20 0.90 1.01 -0.33 -0.79 121.20 123.23 2k1g s ILE 122 Ca 0.13 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 2k1g s ILE 122 Cb 0.04 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2k1g s ILE 122 CO -0.03 -0.53 1.62 -0.47 0.00 0.00 0.00 174.94 175.53 2k1g s TYR 123 N 2.60 2.09 -0.86 3.97 5.04 -1.00 -1.56 117.35 127.64 2k1g s TYR 123 Ca 0.19 0.51 0.16 0.00 -2.44 0.00 0.00 57.07 55.49 2k1g s TYR 123 Cb -0.15 -3.96 0.53 0.00 0.35 0.00 0.00 41.96 38.74 2k1g s TYR 123 CO 0.17 -3.04 1.45 0.44 -1.34 0.00 0.00 175.55 173.23 2k1g n ILE 124 N 6.27 1.64 0.00 3.14 -5.35 -0.16 -1.85 119.36 123.04 2k1g n ILE 124 Ca 0.19 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 2k1g n ILE 124 Cb 0.45 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 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 0.53 1.02 3.09 3.28 0.00 -1.14 -4.89 105.19 107.08 2k1g n GLY 125 Ca 0.20 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.47 -5.99 -0.64 1.61 4.13 -1.26 -0.82 115.26 111.81 2k1g n ASN 126 Ca 0.00 -0.32 -0.08 0.00 1.68 0.00 0.00 54.58 55.86 2k1g n ASN 126 Cb 0.00 -4.83 -0.04 0.00 -1.54 0.00 0.00 39.78 33.37 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k1g n ASN 127 N -2.55 -5.48 -4.81 6.41 3.02 -1.26 -4.87 115.26 105.71 2k1g n ASN 127 Ca -0.10 0.21 -0.33 0.00 -0.03 0.00 0.00 54.58 54.33 2k1g n ASN 127 Cb 0.61 -3.72 -0.06 0.00 -0.61 0.00 0.00 39.78 35.99 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k1g s GLN 128 N -2.59 3.15 -0.16 3.52 -0.21 -0.00 0.01 119.66 123.37 2k1g s GLN 128 Ca 0.00 -0.45 -0.15 0.00 0.02 0.00 0.00 55.36 54.78 2k1g s GLN 128 Cb 0.00 -2.91 0.04 0.00 1.00 0.00 0.00 33.01 31.14 2k1g s GLN 128 CO 0.00 0.65 0.43 -0.59 -2.12 0.00 0.00 175.29 173.67 2k1g s PHE 129 N -1.23 -0.48 -0.09 0.91 -0.71 -0.45 -0.99 117.98 114.95 2k1g s PHE 129 Ca 0.24 1.16 -0.16 0.00 -1.04 0.00 0.00 56.93 57.14 2k1g s PHE 129 Cb -0.12 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 2k1g s PHE 129 CO 0.15 -0.23 0.40 0.54 -1.34 0.00 0.00 175.22 174.75 2k1g s VAL 130 N 0.24 5.16 0.19 -2.49 0.11 -0.60 -1.16 120.40 121.86 2k1g s VAL 130 Ca -0.00 0.81 -0.24 0.00 -2.93 0.00 0.00 61.98 59.62 2k1g s VAL 130 Cb -0.03 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2k1g s VAL 130 CO 0.00 0.43 0.84 -1.38 -3.33 0.00 0.00 175.10 171.67 2k1g s HIS 131 N -0.03 -0.19 -0.81 1.54 -3.43 0.03 -1.19 115.29 111.22 2k1g s HIS 131 Ca 0.23 -0.16 -0.18 0.00 -0.80 0.00 0.00 55.06 54.15 2k1g s HIS 131 Cb -0.15 0.66 0.13 0.00 -1.43 0.00 0.00 32.58 31.79 2k1g s HIS 131 CO 0.10 -0.97 0.96 0.00 -2.00 0.00 0.00 174.74 172.82 2k1g s ALA 132 N -3.55 3.46 0.01 -1.38 0.00 -1.26 -0.39 121.76 118.65 2k1g s ALA 132 Ca 0.11 -2.63 -0.30 0.00 0.00 0.00 0.00 51.96 49.14 2k1g s ALA 132 Cb -0.03 -3.83 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 2k1g s ALA 132 CO 0.02 -2.71 1.00 0.45 0.00 0.00 0.00 175.76 174.52 2k1g s SER 133 N 3.40 7.36 0.12 0.00 0.15 0.15 -4.46 113.70 120.42 2k1g s SER 133 Ca 0.24 1.70 0.12 0.00 0.70 0.00 0.00 55.95 58.71 2k1g s SER 133 Cb -0.11 -2.57 0.56 0.00 -1.71 0.00 0.00 66.02 62.18 2k1g s SER 133 CO -0.04 -0.26 1.36 0.35 1.20 0.00 0.00 173.24 175.85 2k1g n THR 134 N 3.81 1.39 0.08 6.45 -2.24 -1.26 0.19 114.28 122.70 2k1g n THR 134 Ca 0.06 0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 62.20 2k1g n THR 134 Cb 0.50 -1.41 -0.12 0.00 -2.10 0.00 0.00 70.33 67.20 2k1g n THR 134 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2k1g h SER 135 N 0.00 0.21 0.00 3.42 0.02 -2.02 -3.44 113.55 111.73 2k1g h SER 135 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2k1g h SER 135 Cb 0.10 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k1g h SER 135 CO 0.00 1.16 -0.02 -0.24 -1.14 0.00 0.00 176.83 176.59 2k1g n SER 136 N -3.45 0.01 0.00 3.07 2.88 -0.80 -5.13 113.62 110.19 2k1g n SER 136 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2k1g n SER 136 Cb 0.97 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1g n GLY 137 N 1.53 0.56 3.55 0.46 0.00 0.13 -4.47 105.19 106.95 2k1g n GLY 137 Ca 0.00 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 -4.00 3.26 0.27 1.61 1.01 -0.11 0.34 120.40 122.77 2k1g s VAL 138 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.16 2k1g s VAL 138 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2k1g s VAL 138 CO 0.00 -0.67 0.20 2.30 0.00 0.00 0.00 175.10 176.93 2k1g n ILE 139 N 7.46 0.00 -4.82 2.22 -5.35 0.47 -4.53 119.36 114.81 2k1g n ILE 139 Ca 0.26 -1.88 -0.33 0.00 -0.27 0.00 0.00 62.75 60.52 2k1g n ILE 139 Cb 0.52 0.89 -0.15 0.00 -1.74 0.00 0.00 39.64 39.17 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 -2.99 2.76 0.45 7.28 1.01 -1.26 -0.79 121.20 127.66 2k1g s ILE 140 Ca 0.28 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.22 2k1g s ILE 140 Cb 0.01 -2.14 -0.06 0.00 0.01 0.00 0.00 42.46 40.28 2k1g s ILE 140 CO 0.20 0.53 0.01 -0.44 0.00 0.00 0.00 174.94 175.24 2k1g s SER 141 N 0.45 3.98 0.03 3.58 0.01 -0.30 -4.93 113.70 116.52 2k1g s SER 141 Ca -0.11 -1.46 0.05 0.00 1.31 0.00 0.00 55.95 55.74 2k1g s SER 141 Cb -0.16 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 2k1g s SER 141 CO 0.05 -0.59 -0.15 -0.44 0.41 0.00 0.00 173.24 172.51 2k1g s SER 142 N -3.78 1.84 0.00 2.44 0.01 -1.26 -1.35 113.70 111.60 2k1g s SER 142 Ca 0.25 -0.45 0.22 0.00 1.31 0.00 0.00 55.95 57.29 2k1g s SER 142 Cb 0.07 -0.14 1.33 0.00 0.21 0.00 0.00 66.02 67.49 2k1g s SER 142 CO 0.13 0.08 1.72 0.23 0.41 0.00 0.00 173.24 175.81 2k1g n MET 143 N 1.99 0.76 0.03 12.44 2.81 0.10 -2.18 117.12 133.07 2k1g n MET 143 Ca -0.17 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.84 2k1g n MET 143 Cb 0.54 -1.46 0.31 0.00 -0.71 0.00 0.00 33.22 31.90 2k1g n MET 143 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2k1g n ASN 144 N -0.96 0.49 -4.72 7.83 0.23 -1.26 -3.71 115.26 113.16 2k1g n ASN 144 Ca 0.17 0.06 -0.42 0.00 -0.53 0.00 0.00 54.58 53.86 2k1g n ASN 144 Cb 0.08 0.01 -0.03 0.00 -2.08 0.00 0.00 39.78 37.76 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2k1g s GLU 145 N -3.06 4.31 0.50 -3.83 0.41 -0.93 -4.87 118.70 111.24 2k1g s GLU 145 Ca 0.10 2.11 0.22 0.00 -0.41 0.00 0.00 54.97 56.99 2k1g s GLU 145 Cb 0.16 -3.23 1.29 0.00 -1.78 0.00 0.00 34.13 30.58 2k1g s GLU 145 CO 0.67 -0.44 2.00 -1.00 -0.49 0.00 0.00 175.26 176.00 2k1g h PRO 146 N 6.60 0.10 -0.12 0.39 0.13 -1.90 0.11 132.00 137.31 2k1g h PRO 146 Ca -0.43 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.60 2k1g h PRO 146 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k1g h PRO 146 CO 0.86 0.07 -0.32 -0.92 -0.23 0.00 0.00 178.00 177.45 2k1g h TYR 147 N 0.11 0.55 0.16 1.56 3.20 -1.95 -3.33 116.97 117.26 2k1g h TYR 147 Ca 0.25 -0.22 -0.32 0.00 3.14 0.00 0.00 58.73 61.58 2k1g h TYR 147 Cb 0.84 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 39.02 2k1g h TYR 147 CO -0.00 0.94 -1.58 -1.49 -1.64 0.00 0.00 178.16 174.39 2k1g h TRP 148 N 0.01 0.61 -0.23 -3.82 4.06 -1.63 -3.22 115.95 111.73 2k1g h TRP 148 Ca -0.01 -0.45 0.06 0.00 2.06 0.00 0.00 58.89 60.55 2k1g h TRP 148 Cb 0.94 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 29.02 2k1g h TRP 148 CO 0.11 1.49 -0.14 -0.22 -3.56 0.00 0.00 178.44 176.12 2k1g h LYS 149 N 0.09 -0.13 -0.00 0.49 3.64 -0.90 -1.07 116.57 118.70 2k1g h LYS 149 Ca -0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2k1g h LYS 149 Cb 2.06 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 2k1g h LYS 149 CO 0.19 -0.08 -0.09 0.36 -2.27 0.00 0.00 179.45 177.55 2k1g n LYS 150 N -5.30 0.25 0.00 1.90 2.85 -1.25 -3.38 118.16 113.23 2k1g n LYS 150 Ca -0.01 -0.05 0.11 0.00 -1.05 0.00 0.00 58.31 57.31 2k1g n LYS 150 Cb 0.22 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.34 0.06 -1.63 -1.58 3.00 -0.56 -4.92 116.66 109.70 2k1g n ARG 151 Ca 0.10 -0.01 -0.43 0.00 -0.01 0.00 0.00 57.85 57.51 2k1g n ARG 151 Cb 0.30 -1.51 -0.03 0.00 0.00 0.00 0.00 32.46 31.22 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 -1.58 2.21 -0.10 -1.55 9.36 -0.51 -1.78 117.16 123.21 2k1g n TYR 152 Ca 0.04 -0.24 -0.16 0.00 3.32 0.00 0.00 57.90 60.86 2k1g n TYR 152 Cb 0.35 -2.76 -0.06 0.00 -0.63 0.00 0.00 39.34 36.24 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 9.80 1.90 -3.27 2.98 5.15 -0.29 -4.99 115.26 126.54 2k1g n ASN 153 Ca 0.26 0.41 -0.03 0.00 -0.60 0.00 0.00 54.58 54.62 2k1g n ASN 153 Cb 0.43 -0.83 0.02 0.00 -0.53 0.00 0.00 39.78 38.87 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 -4.43 0.63 -4.08 1.20 0.28 -1.25 -5.01 120.64 107.98 2k1g n GLU 154 Ca -0.27 -1.44 -0.07 0.00 -0.16 0.00 0.00 57.16 55.22 2k1g n GLU 154 Cb 0.60 1.96 -0.10 0.00 1.43 0.00 0.00 31.44 35.33 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 -2.02 0.50 -0.09 -1.84 0.00 -0.77 -0.27 121.76 117.27 2k1g s ALA 155 Ca 0.23 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2k1g s ALA 155 Cb -0.03 0.32 0.05 0.00 0.00 0.00 0.00 23.12 23.47 2k1g s ALA 155 CO 0.05 -0.39 0.19 1.03 0.00 0.00 0.00 175.76 176.64 2k1g s ARG 156 N -3.93 0.07 -0.63 0.00 0.52 0.16 0.08 118.95 115.23 2k1g s ARG 156 Ca 0.08 0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 55.69 2k1g s ARG 156 Cb 0.08 -0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.45 2k1g s ARG 156 CO -0.09 -0.29 0.76 -0.98 0.02 0.00 0.00 175.30 174.72 2k1g s ARG 157 N 2.19 3.11 0.00 3.54 3.03 -1.23 -0.50 118.95 129.09 2k1g s ARG 157 Ca 0.01 -1.36 0.30 0.00 2.03 0.00 0.00 55.73 56.72 2k1g s ARG 157 Cb -0.12 -4.31 1.57 0.00 -1.03 0.00 0.00 34.95 31.06 2k1g s ARG 157 CO -0.06 -1.57 2.04 1.33 -1.13 0.00 0.00 175.30 175.91 2k1g n VAL 158 N 5.50 0.00 -1.17 4.99 0.24 -1.26 -4.60 118.33 122.03 2k1g n VAL 158 Ca -0.06 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.34 61.88 2k1g n VAL 158 Cb 0.43 -0.19 0.15 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.10 2.03 0.18 1.34 1.43 -1.26 -4.95 118.68 115.35 2k1g s LEU 159 Ca 0.42 1.40 -0.32 0.00 -1.03 0.00 0.00 54.13 54.60 2k1g s LEU 159 Cb 0.21 -3.74 -0.16 0.00 0.03 0.00 0.00 46.19 42.53 2k1g s LEU 159 CO 0.38 -2.83 1.11 -0.24 0.23 0.00 0.00 176.35 175.00 2k1g n SER 160 N -4.00 1.15 -4.56 2.29 2.88 -1.26 -4.80 113.62 105.32 2k1g n SER 160 Ca 0.06 1.15 -0.38 0.00 -1.33 0.00 0.00 58.87 58.37 2k1g n SER 160 Cb 0.56 -1.20 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 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 -0.50 2.49 0.16 -1.46 3.52 -1.26 -4.79 118.95 117.10 2k1g s ARG 161 Ca 0.72 1.20 0.16 0.00 -0.13 0.00 0.00 55.73 57.68 2k1g s ARG 161 Cb -0.86 -4.46 -0.05 0.00 -1.56 0.00 0.00 34.95 28.01 2k1g s ARG 161 CO 0.53 -2.86 1.11 0.77 -0.81 0.00 0.00 175.30 174.05 2k1g h SER 162 N 17.00 0.00 -2.00 -2.12 0.02 -2.00 -3.46 113.55 120.99 2k1g h SER 162 Ca -0.27 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 2k1g h SER 162 Cb 1.22 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.77 2k1g h SER 162 CO 1.15 0.56 0.02 0.18 -1.14 0.00 0.00 176.83 177.60 2k1g n LEU 163 N -3.05 0.00 -0.71 5.07 4.77 -1.26 -5.33 117.00 116.49 2k1g n LEU 163 Ca -0.04 -0.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.94 2k1g n LEU 163 Cb 0.80 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.90 2k1g n LEU 163 CO 0.42 -0.68 0.53 -0.62 -1.33 0.00 0.00 177.39 175.71