#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 5.84 -1.31 7.83 6.03 -1.26 -5.02 114.94 127.05 2k1g s ASN 37 Ca 0.00 -0.27 -0.17 0.00 -1.03 0.00 0.00 52.86 51.39 2k1g s ASN 37 Cb 0.00 -1.00 0.07 0.00 -3.03 0.00 0.00 41.25 37.29 2k1g s ASN 37 CO 0.00 -0.58 1.76 0.52 -2.03 0.00 0.00 177.10 176.78 2k1g n VAL 38 N -1.74 3.93 -2.03 3.54 0.31 -1.26 -4.93 118.33 116.15 2k1g n VAL 38 Ca 0.03 -4.05 -0.33 0.00 -0.01 0.00 0.00 64.34 59.98 2k1g n VAL 38 Cb 0.58 -2.37 -0.04 0.00 -0.91 0.00 0.00 33.84 31.10 2k1g n VAL 38 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2k1g s ASP 39 N 4.08 5.17 0.15 4.52 1.47 -1.26 -4.87 116.67 125.94 2k1g s ASP 39 Ca 0.53 -0.12 -0.17 0.00 1.18 0.00 0.00 52.55 53.97 2k1g s ASP 39 Cb 0.04 -2.54 0.06 0.00 -0.34 0.00 0.00 42.92 40.14 2k1g s ASP 39 CO 0.06 -2.58 1.72 0.58 0.68 0.00 0.00 175.17 175.63 2k1g h VAL 40 N 7.09 0.79 0.64 2.11 2.07 -1.91 -0.48 116.25 126.56 2k1g h VAL 40 Ca -0.09 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2k1g h VAL 40 Cb 1.09 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2k1g h VAL 40 CO 1.21 0.02 -0.31 0.50 0.02 0.00 0.00 177.57 179.02 2k1g h LYS 41 N 0.14 -0.83 -0.89 1.57 3.64 -1.89 -1.89 116.57 116.41 2k1g h LYS 41 Ca 0.16 0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2k1g h LYS 41 Cb 0.20 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 2k1g h LYS 41 CO -0.24 -0.53 0.59 0.77 -2.27 0.00 0.00 179.45 177.77 2k1g h SER 42 N -0.96 1.02 -0.22 4.20 0.02 -1.96 -0.60 113.55 115.06 2k1g h SER 42 Ca -0.09 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k1g h SER 42 Cb 0.69 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 2k1g h SER 42 CO 0.14 0.73 -0.18 -0.09 -1.14 0.00 0.00 176.83 176.30 2k1g h ARG 43 N 1.20 -0.17 -0.31 3.45 9.65 -0.92 0.22 114.38 127.50 2k1g h ARG 43 Ca 0.33 0.01 -0.11 0.00 -1.10 0.00 0.00 59.98 59.12 2k1g h ARG 43 Cb -0.12 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 2k1g h ARG 43 CO -0.08 -0.12 -0.23 0.82 2.80 0.00 0.00 179.97 183.17 2k1g h ILE 44 N -0.18 1.30 -0.61 1.20 2.04 -0.94 -2.72 117.51 117.60 2k1g h ILE 44 Ca 0.13 -1.37 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 2k1g h ILE 44 Cb 0.37 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2k1g h ILE 44 CO -0.33 0.44 0.24 0.24 0.00 0.00 0.00 178.15 178.75 2k1g h MET 45 N 0.46 0.89 -0.38 2.37 2.86 -0.93 0.56 114.93 120.76 2k1g h MET 45 Ca 0.06 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2k1g h MET 45 Cb 0.78 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 2k1g h MET 45 CO 0.06 0.73 0.23 0.22 1.06 0.00 0.00 176.91 179.21 2k1g h ASP 46 N 0.88 0.45 -0.21 1.22 3.58 -0.47 -2.65 116.42 119.22 2k1g h ASP 46 Ca 0.21 -0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.49 2k1g h ASP 46 Cb 0.17 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2k1g h ASP 46 CO -0.02 0.37 -0.26 -0.61 -2.88 0.00 0.00 179.24 175.84 2k1g h GLN 47 N 0.49 0.69 -0.98 0.28 5.75 -1.15 -3.14 115.11 117.06 2k1g h GLN 47 Ca 0.14 -0.29 0.13 0.00 -0.15 0.00 0.00 58.65 58.48 2k1g h GLN 47 Cb 0.00 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.44 2k1g h GLN 47 CO -0.03 0.88 0.62 -0.92 -2.65 0.00 0.00 178.83 176.74 2k1g h TYR 48 N 0.60 1.07 -0.22 3.99 3.20 -0.56 -0.40 116.97 124.66 2k1g h TYR 48 Ca 0.08 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2k1g h TYR 48 Cb 0.76 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2k1g h TYR 48 CO 0.04 0.39 0.38 0.00 -1.64 0.00 0.00 178.16 177.33 2k1g h ALA 49 N 1.57 1.75 0.10 1.82 0.00 -1.44 -0.88 119.26 122.18 2k1g h ALA 49 Ca 0.50 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.13 2k1g h ALA 49 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k1g h ALA 49 CO -0.27 -0.49 -1.39 0.22 0.00 0.00 0.00 179.25 177.32 2k1g h ASP 50 N 0.00 0.32 0.22 0.00 3.58 -1.24 -3.37 116.42 115.93 2k1g h ASP 50 Ca 0.10 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.73 2k1g h ASP 50 Cb 0.86 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2k1g h ASP 50 CO -0.00 1.60 -0.01 0.79 -2.88 0.00 0.00 179.24 178.74 2k1g n TRP 51 N -3.97 0.00 -1.64 0.28 7.02 -0.46 -4.90 117.44 113.77 2k1g n TRP 51 Ca -0.26 0.00 -0.54 0.00 -1.02 0.00 0.00 57.50 55.68 2k1g n TRP 51 Cb 0.87 -0.11 -0.07 0.00 -2.42 0.00 0.00 31.31 29.58 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 -1.03 1.35 -0.14 -0.99 5.02 -0.48 -1.85 118.16 120.04 2k1g n LYS 52 Ca 0.20 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2k1g n LYS 52 Cb 0.18 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.90 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 4.81 0.97 3.72 0.72 0.00 -1.19 -5.03 105.19 109.19 2k1g n GLY 53 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2k1g n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k1g n VAL 54 N -2.00 0.04 -1.39 1.61 0.31 -0.77 -4.72 118.33 111.41 2k1g n VAL 54 Ca 0.00 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.03 2k1g n VAL 54 Cb 0.00 -1.97 0.16 0.00 -0.91 0.00 0.00 33.84 31.12 2k1g n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k1g s ARG 55 N 1.10 0.61 -0.25 5.55 1.70 -1.26 -1.15 118.95 125.25 2k1g s ARG 55 Ca 0.75 0.28 -0.12 0.00 -0.47 0.00 0.00 55.73 56.17 2k1g s ARG 55 Cb -0.51 -1.78 -0.05 0.00 -0.57 0.00 0.00 34.95 32.05 2k1g s ARG 55 CO 0.33 -2.56 0.25 -0.47 -1.08 0.00 0.00 175.30 171.77 2k1g s TYR 56 N -3.18 3.29 -0.02 5.89 6.14 -1.26 -0.54 117.35 127.67 2k1g s TYR 56 Ca 0.66 0.30 0.00 0.00 0.64 0.00 0.00 57.07 58.67 2k1g s TYR 56 Cb -0.15 -2.39 0.02 0.00 0.42 0.00 0.00 41.96 39.86 2k1g s TYR 56 CO 0.55 -0.05 -0.00 0.50 0.64 0.00 0.00 175.55 177.18 2k1g s ARG 57 N 1.44 0.23 -0.21 4.97 3.52 -0.94 -4.66 118.95 123.29 2k1g s ARG 57 Ca 0.11 0.04 -0.25 0.00 -0.13 0.00 0.00 55.73 55.49 2k1g s ARG 57 Cb -0.15 -0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 32.88 2k1g s ARG 57 CO 0.08 -0.08 0.86 -0.51 -0.81 0.00 0.00 175.30 174.84 2k1g s LEU 58 N 0.68 4.12 0.00 -0.88 1.02 -1.26 -0.48 118.68 121.88 2k1g s LEU 58 Ca -0.07 1.14 0.00 0.00 0.02 0.00 0.00 54.13 55.22 2k1g s LEU 58 Cb -0.10 -3.26 0.00 0.00 0.02 0.00 0.00 46.19 42.86 2k1g s LEU 58 CO -0.01 -0.50 0.00 0.61 0.02 0.00 0.00 176.35 176.47 2k1g n GLY 59 N 3.59 2.08 2.55 -3.19 0.00 -1.26 -4.83 105.19 104.13 2k1g n GLY 59 Ca 0.06 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 3.36 3.57 -0.02 0.00 -1.26 -4.90 105.19 105.94 2k1g n GLY 60 Ca 0.00 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 2k1g n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1g s SER 61 N 3.16 5.36 0.31 1.61 0.01 -1.26 -4.41 113.70 118.48 2k1g s SER 61 Ca 0.46 0.80 -0.18 0.00 1.31 0.00 0.00 55.95 58.34 2k1g s SER 61 Cb 0.12 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.85 2k1g s SER 61 CO -0.04 -2.22 0.71 0.28 0.41 0.00 0.00 173.24 172.38 2k1g s THR 62 N 8.80 0.00 -1.89 1.44 -1.32 -0.38 -4.97 115.64 117.32 2k1g s THR 62 Ca 0.76 -1.06 0.20 0.00 -1.21 0.00 0.00 61.69 60.38 2k1g s THR 62 Cb -0.17 -2.30 0.52 0.00 -1.51 0.00 0.00 72.50 69.04 2k1g s THR 62 CO 0.26 0.00 1.57 0.29 -2.21 0.00 0.00 174.62 174.53 2k1g n LYS 63 N -0.48 0.55 -0.32 7.08 5.02 -1.26 -1.02 118.16 127.74 2k1g n LYS 63 Ca -0.05 0.02 0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2k1g n LYS 63 Cb 0.60 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.36 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k1g n LYS 64 N -1.06 2.90 0.00 1.97 4.76 -1.26 -4.81 118.16 120.66 2k1g n LYS 64 Ca 0.14 -2.44 0.00 0.00 -2.87 0.00 0.00 58.31 53.14 2k1g n LYS 64 Cb 0.08 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1g n GLY 65 N 1.04 2.94 3.18 0.72 0.00 -0.19 -4.76 105.19 108.11 2k1g n GLY 65 Ca 0.19 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.05 0.68 -0.61 2.07 0.29 -1.25 121.20 122.44 2k1g s ILE 66 Ca 0.00 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 2k1g s ILE 66 Cb 0.00 -0.50 0.11 0.00 0.13 0.00 0.00 42.46 42.19 2k1g s ILE 66 CO 0.00 -0.23 0.94 1.51 -1.91 0.00 0.00 174.94 175.25 2k1g s ASP 67 N -0.98 4.56 0.07 4.50 -4.77 0.37 -2.22 116.67 118.19 2k1g s ASP 67 Ca -0.11 -0.31 -0.37 0.00 -3.30 0.00 0.00 52.55 48.46 2k1g s ASP 67 Cb -0.05 -0.18 -0.20 0.00 -1.09 0.00 0.00 42.92 41.40 2k1g s ASP 67 CO 0.02 -1.70 1.57 0.00 0.70 0.00 0.00 175.17 175.77 2k1g h SER 69 N -1.29 0.82 -0.65 0.00 4.64 -1.87 -2.78 113.55 112.43 2k1g h SER 69 Ca -0.12 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2k1g h SER 69 Cb 1.01 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.85 2k1g h SER 69 CO 0.17 0.73 0.40 1.23 -0.87 0.00 0.00 176.83 178.49 2k1g h GLY 70 N 0.99 0.93 0.94 -0.77 0.00 -1.65 -2.14 103.07 101.38 2k1g h GLY 70 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2k1g h GLY 70 CO -0.02 0.37 -0.12 -2.75 0.00 0.00 0.00 176.54 174.02 2k1g h PHE 71 N 0.88 -0.32 -0.07 5.60 3.57 -0.49 -2.31 116.94 123.81 2k1g h PHE 71 Ca 0.23 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 2k1g h PHE 71 Cb -0.05 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 2k1g h PHE 71 CO -0.02 -0.15 0.04 -0.24 -2.23 0.00 0.00 178.31 175.70 2k1g h VAL 72 N -0.41 1.07 -0.37 1.41 3.04 -1.49 -0.41 116.25 119.09 2k1g h VAL 72 Ca -0.04 -0.20 -0.01 0.00 -1.01 0.00 0.00 66.70 65.45 2k1g h VAL 72 Cb 0.31 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.66 2k1g h VAL 72 CO 0.06 0.06 0.20 0.06 -1.01 0.00 0.00 177.57 176.94 2k1g h GLN 73 N 0.03 0.51 0.09 4.17 -0.00 -1.41 -1.97 115.11 116.51 2k1g h GLN 73 Ca 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2k1g h GLN 73 Cb 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 2k1g h GLN 73 CO -0.00 0.38 -0.04 0.00 -0.00 0.00 0.00 178.83 179.16 2k1g h ARG 74 N 0.52 -0.11 -0.97 0.06 3.08 -1.20 -2.73 114.38 113.03 2k1g h ARG 74 Ca 0.13 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.41 2k1g h ARG 74 Cb 0.02 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 29.98 2k1g h ARG 74 CO -0.02 0.40 0.55 1.15 -1.07 0.00 0.00 179.97 180.98 2k1g h THR 75 N -0.72 0.60 -0.14 2.04 2.02 -0.71 0.28 112.91 116.28 2k1g h THR 75 Ca -0.01 -0.21 -0.21 0.00 0.77 0.00 0.00 66.41 66.75 2k1g h THR 75 Cb 0.56 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2k1g h THR 75 CO 0.02 0.11 -0.71 -0.26 0.37 0.00 0.00 175.52 175.05 2k1g h PHE 76 N 0.62 0.99 0.00 3.16 -1.00 -1.45 -2.28 116.94 116.97 2k1g h PHE 76 Ca 0.59 -0.44 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 2k1g h PHE 76 Cb 1.04 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 2k1g h PHE 76 CO -0.03 1.26 -0.25 0.07 -1.61 0.00 0.00 178.31 177.75 2k1g h ARG 77 N 0.44 0.00 0.43 1.51 0.11 -0.87 0.23 114.38 116.22 2k1g h ARG 77 Ca -0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2k1g h ARG 77 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2k1g h ARG 77 CO 0.15 0.25 -0.20 0.93 0.10 0.00 0.00 179.97 181.19 2k1g h GLU 78 N 0.00 -0.55 0.03 0.08 4.39 -0.46 -3.03 114.58 115.04 2k1g h GLU 78 Ca -0.00 0.04 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 2k1g h GLU 78 Cb 0.71 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.45 2k1g h GLU 78 CO 0.03 -0.37 -1.64 1.96 -1.16 0.00 0.00 179.01 177.83 2k1g h GLN 79 N -0.95 0.07 0.00 2.33 1.08 -1.45 -3.39 115.11 112.81 2k1g h GLN 79 Ca -0.06 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 2k1g h GLN 79 Cb 0.44 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2k1g h GLN 79 CO 0.10 0.73 -0.69 1.19 -0.95 0.00 0.00 178.83 179.21 2k1g n PHE 80 N -3.20 0.00 -1.19 2.96 3.72 0.27 -5.00 117.46 115.03 2k1g n PHE 80 Ca -0.17 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.17 2k1g n PHE 80 Cb 1.04 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 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 1.45 0.85 3.61 1.37 0.00 0.55 -4.93 105.19 108.09 2k1g n GLY 81 Ca 0.01 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.46 3.99 -0.80 0.99 2.96 -0.80 -4.79 118.68 118.77 2k1g s LEU 82 Ca 0.00 0.68 -0.24 0.00 -0.22 0.00 0.00 54.13 54.34 2k1g s LEU 82 Cb 0.00 -3.29 0.05 0.00 0.50 0.00 0.00 46.19 43.45 2k1g s LEU 82 CO 0.00 -0.83 1.23 -1.61 -1.32 0.00 0.00 176.35 173.81 2k1g s GLU 83 N 3.44 3.30 -0.05 1.98 2.02 -1.26 -2.46 118.70 125.68 2k1g s GLU 83 Ca 0.39 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.57 2k1g s GLU 83 Cb -0.12 -4.54 -0.04 0.00 0.10 0.00 0.00 34.13 29.53 2k1g s GLU 83 CO 0.17 -2.04 0.21 -0.51 0.02 0.00 0.00 175.26 173.11 2k1g s LEU 84 N 4.84 4.39 1.03 1.80 1.43 -1.26 -5.09 118.68 125.82 2k1g s LEU 84 Ca 0.34 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 2k1g s LEU 84 Cb -0.08 -2.39 0.18 0.00 0.03 0.00 0.00 46.19 43.93 2k1g s LEU 84 CO 0.06 0.33 0.90 -0.81 0.23 0.00 0.00 176.35 177.06 2k1g n PRO 85 N 1.54 -1.21 0.15 1.29 -0.04 -1.26 -4.81 135.00 130.65 2k1g n PRO 85 Ca -0.15 -0.31 0.03 0.00 -0.04 0.00 0.00 63.50 63.03 2k1g n PRO 85 Cb 0.54 -2.18 0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2k1g n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1g h ARG 86 N -2.14 0.00 -5.70 0.54 -0.00 -1.98 -3.45 114.38 101.65 2k1g h ARG 86 Ca -0.50 0.00 -0.66 0.00 -0.50 0.00 0.00 59.98 58.32 2k1g h ARG 86 Cb 1.30 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.20 2k1g h ARG 86 CO 0.42 0.50 -0.44 0.45 0.00 0.00 0.00 179.97 180.90 2k1g s SER 87 N -6.45 6.45 0.24 7.04 0.15 -1.26 -4.00 113.70 115.88 2k1g s SER 87 Ca 0.03 0.54 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 2k1g s SER 87 Cb 0.08 -2.10 0.40 0.00 -1.71 0.00 0.00 66.02 62.69 2k1g s SER 87 CO 0.74 0.39 1.81 0.74 1.20 0.00 0.00 173.24 178.11 2k1g h THR 88 N 3.89 0.90 -0.45 6.45 2.02 -1.91 -1.07 112.91 122.74 2k1g h THR 88 Ca -0.54 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2k1g h THR 88 Cb 1.23 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 2k1g h THR 88 CO 0.59 0.14 0.22 1.88 0.37 0.00 0.00 175.52 178.72 2k1g h TYR 89 N 0.77 0.65 -0.49 3.16 0.05 -1.98 0.21 116.97 119.34 2k1g h TYR 89 Ca 0.40 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 59.08 2k1g h TYR 89 Cb 0.37 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2k1g h TYR 89 CO -0.07 0.52 0.06 0.93 -1.05 0.00 0.00 178.16 178.56 2k1g h GLU 90 N 0.59 0.78 0.00 4.88 4.39 -1.86 -2.16 114.58 121.19 2k1g h GLU 90 Ca 0.15 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2k1g h GLU 90 Cb 0.12 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2k1g h GLU 90 CO -0.02 0.75 -0.29 1.96 -1.16 0.00 0.00 179.01 180.25 2k1g h GLN 91 N 0.74 0.00 -0.05 2.33 4.20 -0.62 -2.93 115.11 118.78 2k1g h GLN 91 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2k1g h GLN 91 Cb 0.37 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 2k1g h GLN 91 CO 0.01 0.29 0.03 1.96 -0.67 0.00 0.00 178.83 180.45 2k1g h GLN 92 N 0.00 0.06 0.00 1.46 4.20 -0.29 -2.33 115.11 118.20 2k1g h GLN 92 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k1g h GLN 92 Cb 0.62 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2k1g h GLN 92 CO 0.04 0.04 0.00 0.39 -0.67 0.00 0.00 178.83 178.63 2k1g n GLU 93 N -5.06 0.24 -0.52 1.46 -0.58 -1.14 -2.57 120.64 112.47 2k1g n GLU 93 Ca -0.06 0.11 0.06 0.00 -0.42 0.00 0.00 57.16 56.85 2k1g n GLU 93 Cb 0.03 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.66 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 -1.31 2.82 -3.79 3.49 2.81 -0.90 -4.97 117.12 115.28 2k1g n MET 94 Ca 0.09 -2.90 -0.13 0.00 -1.81 0.00 0.00 57.70 52.94 2k1g n MET 94 Cb 0.16 -1.86 -0.14 0.00 -0.71 0.00 0.00 33.22 30.67 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 -1.97 -0.02 0.11 3.03 0.00 -1.06 -4.73 107.32 102.68 2k1g s GLY 95 Ca 0.43 0.44 -0.20 0.00 0.00 0.00 0.00 44.72 45.40 2k1g s GLY 95 CO 0.08 0.65 0.61 0.54 0.00 0.00 0.00 173.10 174.97 2k1g s LYS 96 N 0.74 4.23 0.21 2.90 -0.14 -1.02 -4.78 119.74 121.88 2k1g s LYS 96 Ca -0.06 0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 55.03 2k1g s LYS 96 Cb -0.08 -3.18 -0.08 0.00 -1.68 0.00 0.00 37.83 32.81 2k1g s LYS 96 CO -0.03 0.59 1.12 0.45 -0.76 0.00 0.00 175.35 176.72 2k1g s SER 97 N -1.23 7.24 -0.01 2.83 0.15 -1.26 -0.60 113.70 120.82 2k1g s SER 97 Ca 0.32 2.17 0.03 0.00 0.70 0.00 0.00 55.95 59.16 2k1g s SER 97 Cb -0.19 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.50 2k1g s SER 97 CO 0.20 -0.22 -0.09 0.68 1.20 0.00 0.00 173.24 175.01 2k1g s VAL 98 N -0.49 0.69 0.74 4.45 -7.23 0.16 -4.90 120.40 113.82 2k1g s VAL 98 Ca 0.48 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2k1g s VAL 98 Cb -0.31 -0.58 0.15 0.00 0.56 0.00 0.00 36.38 36.20 2k1g s VAL 98 CO 0.37 0.20 1.02 -0.24 -0.31 0.00 0.00 175.10 176.14 2k1g n SER 99 N 2.91 1.42 -0.35 4.85 2.88 -1.26 -3.72 113.62 120.35 2k1g n SER 99 Ca -0.14 -2.19 -0.01 0.00 -1.33 0.00 0.00 58.87 55.20 2k1g n SER 99 Cb 0.57 -0.66 0.04 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.00 0.67 114.38 114.02 2k1g h ARG 100 Ca -0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 2k1g h ARG 100 Cb 1.26 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2k1g h ARG 100 CO 0.37 -0.02 -0.20 0.43 0.56 0.00 0.00 179.97 181.11 2k1g n SER 101 N -5.48 0.74 -1.19 7.04 7.64 -1.26 -3.65 113.62 117.46 2k1g n SER 101 Ca 0.09 0.42 0.12 0.00 1.01 0.00 0.00 58.87 60.51 2k1g n SER 101 Cb 0.40 -0.48 0.26 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.17 3.51 -4.77 6.43 3.02 0.18 -4.97 115.26 116.50 2k1g n ASN 102 Ca 0.05 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 2k1g n ASN 102 Cb 0.43 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2k1g n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k1g s LEU 103 N -1.32 4.37 -0.08 3.41 1.43 -0.93 -4.73 118.68 120.83 2k1g s LEU 103 Ca 0.42 2.86 -0.05 0.00 -1.03 0.00 0.00 54.13 56.32 2k1g s LEU 103 Cb 0.23 -3.65 0.03 0.00 0.03 0.00 0.00 46.19 42.84 2k1g s LEU 103 CO 0.32 -0.75 0.21 -0.13 0.23 0.00 0.00 176.35 176.22 2k1g s ARG 104 N -1.45 0.19 -0.79 1.70 0.52 -1.26 -5.08 118.95 112.78 2k1g s ARG 104 Ca 0.54 0.39 -0.32 0.00 -0.52 0.00 0.00 55.73 55.83 2k1g s ARG 104 Cb -0.44 -0.04 -0.18 0.00 0.52 0.00 0.00 34.95 34.82 2k1g s ARG 104 CO 0.54 -0.11 2.54 2.41 0.02 0.00 0.00 175.30 180.71 2k1g n THR 105 N 3.70 -0.00 0.00 0.02 -1.04 -1.26 -1.69 114.28 114.01 2k1g n THR 105 Ca -0.20 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2k1g n THR 105 Cb 0.55 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2k1g n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1g n GLY 106 N 6.53 0.27 3.91 3.41 0.00 -0.69 -4.80 105.19 113.83 2k1g n GLY 106 Ca 0.57 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.32 2k1g n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k1g s ASP 107 N -0.07 6.23 -0.28 1.61 1.47 -0.68 -3.93 116.67 121.02 2k1g s ASP 107 Ca 0.00 0.86 -0.08 0.00 1.18 0.00 0.00 52.55 54.51 2k1g s ASP 107 Cb 0.00 -2.19 -0.01 0.00 -0.34 0.00 0.00 42.92 40.38 2k1g s ASP 107 CO 0.00 -0.57 0.09 -0.76 0.68 0.00 0.00 175.17 174.62 2k1g s LEU 108 N -4.70 3.72 -0.28 2.11 1.43 0.60 -1.07 118.68 120.49 2k1g s LEU 108 Ca 0.47 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 2k1g s LEU 108 Cb -0.10 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 2k1g s LEU 108 CO 0.44 -0.12 0.45 0.68 0.23 0.00 0.00 176.35 178.03 2k1g s VAL 109 N 1.58 5.11 -0.08 -1.59 -7.23 0.09 -0.27 120.40 118.01 2k1g s VAL 109 Ca 0.05 0.65 -0.18 0.00 -1.81 0.00 0.00 61.98 60.68 2k1g s VAL 109 Cb -0.16 -3.79 -0.05 0.00 0.56 0.00 0.00 36.38 32.94 2k1g s VAL 109 CO 0.04 0.07 0.50 -0.76 -0.31 0.00 0.00 175.10 174.64 2k1g s LEU 110 N 2.21 4.33 -0.06 1.32 1.43 0.26 -1.25 118.68 126.92 2k1g s LEU 110 Ca 0.18 0.91 0.05 0.00 -1.03 0.00 0.00 54.13 54.24 2k1g s LEU 110 Cb -0.16 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2k1g s LEU 110 CO 0.10 0.05 -0.22 -0.36 0.23 0.00 0.00 176.35 176.15 2k1g s PHE 111 N 0.30 2.20 -0.89 0.29 0.08 0.11 -0.48 117.98 119.59 2k1g s PHE 111 Ca 0.27 -0.70 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 2k1g s PHE 111 Cb -0.16 -1.46 0.11 0.00 -0.57 0.00 0.00 43.02 40.94 2k1g s PHE 111 CO 0.12 -0.24 1.12 1.03 -0.10 0.00 0.00 175.22 177.16 2k1g s ARG 112 N 0.02 3.51 0.08 0.44 0.52 -0.88 -0.46 118.95 122.18 2k1g s ARG 112 Ca -0.07 -1.55 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 2k1g s ARG 112 Cb -0.14 -4.84 -0.06 0.00 0.52 0.00 0.00 34.95 30.43 2k1g s ARG 112 CO 0.04 -1.82 0.47 0.00 0.02 0.00 0.00 175.30 174.01 2k1g s ALA 113 N 3.11 3.66 0.34 2.13 0.00 -1.24 -4.89 121.76 124.87 2k1g s ALA 113 Ca 0.32 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2k1g s ALA 113 Cb -0.07 -2.42 0.70 0.00 0.00 0.00 0.00 23.12 21.34 2k1g s ALA 113 CO -0.06 0.49 1.92 0.78 0.00 0.00 0.00 175.76 178.89 2k1g h GLY 114 N 4.04 1.13 -2.11 0.00 0.00 -1.95 0.24 103.07 104.42 2k1g h GLY 114 Ca -0.50 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2k1g h GLY 114 CO 0.64 0.21 0.00 1.44 0.00 0.00 0.00 176.54 178.83 2k1g n SER 115 N -4.51 3.41 0.00 0.19 7.64 -1.26 -4.49 113.62 114.61 2k1g n SER 115 Ca 0.13 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.06 2k1g n SER 115 Cb 0.29 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 1.26 0.00 0.00 0.44 -2.24 -0.96 -5.05 114.28 107.74 2k1g n THR 116 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2k1g n THR 116 Cb 0.55 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.14 1.50 2.90 3.38 0.00 0.80 -4.79 105.19 110.11 2k1g n GLY 117 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 1.33 0.20 1.61 1.81 -1.26 -3.62 118.95 119.02 2k1g s ARG 118 Ca 0.00 -0.20 0.07 0.00 -1.72 0.00 0.00 55.73 53.88 2k1g s ARG 118 Cb 0.00 -1.38 -0.05 0.00 -0.45 0.00 0.00 34.95 33.07 2k1g s ARG 118 CO 0.00 -0.21 -0.13 -1.58 -0.68 0.00 0.00 175.30 172.70 2k1g s HIS 119 N 1.51 1.64 -0.09 -0.53 5.65 0.40 -4.92 115.29 118.94 2k1g s HIS 119 Ca 0.00 -0.62 -0.10 0.00 0.25 0.00 0.00 55.06 54.59 2k1g s HIS 119 Cb -0.13 -0.79 0.03 0.00 -1.18 0.00 0.00 32.58 30.50 2k1g s HIS 119 CO -0.05 0.29 0.28 0.54 -0.65 0.00 0.00 174.74 175.15 2k1g s VAL 120 N -3.05 0.01 0.11 0.89 0.11 -1.26 -0.71 120.40 116.50 2k1g s VAL 120 Ca 0.22 -0.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2k1g s VAL 120 Cb 0.00 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 2k1g s VAL 120 CO 0.06 -0.04 -0.05 -0.83 -3.33 0.00 0.00 175.10 170.91 2k1g s GLY 121 N -0.03 0.85 -0.39 6.54 0.00 -0.38 -4.60 107.32 109.31 2k1g s GLY 121 Ca -0.02 -1.39 -0.18 0.00 0.00 0.00 0.00 44.72 43.13 2k1g s GLY 121 CO 0.01 -1.47 0.50 -0.42 0.00 0.00 0.00 173.10 171.72 2k1g s ILE 122 N -3.63 5.01 -0.19 0.90 1.01 0.03 -0.73 121.20 123.60 2k1g s ILE 122 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 2k1g s ILE 122 Cb 0.05 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 2k1g s ILE 122 CO -0.03 -0.36 1.87 -0.47 0.00 0.00 0.00 174.94 175.95 2k1g s TYR 123 N 2.37 1.65 -0.06 3.97 5.04 -0.23 -1.75 117.35 128.33 2k1g s TYR 123 Ca 0.17 0.38 0.22 0.00 -2.44 0.00 0.00 57.07 55.40 2k1g s TYR 123 Cb -0.16 -4.04 -0.29 0.00 0.35 0.00 0.00 41.96 37.82 2k1g s TYR 123 CO 0.14 -3.72 0.55 0.44 -1.34 0.00 0.00 175.55 171.63 2k1g n ILE 124 N 6.80 0.10 0.00 3.14 -5.35 -0.25 -1.70 119.36 122.10 2k1g n ILE 124 Ca 0.23 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2k1g n ILE 124 Cb 0.45 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 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 1.26 4.72 3.67 3.28 0.00 -1.04 -4.73 105.19 112.34 2k1g n GLY 125 Ca -0.04 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 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 -6.05 0.00 1.61 5.03 -1.26 -0.97 115.26 113.62 2k1g n ASN 126 Ca 0.00 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.86 2k1g n ASN 126 Cb 0.00 -4.78 0.00 0.00 -1.02 0.00 0.00 39.78 33.98 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2k1g n ASN 127 N -2.98 -1.69 -4.86 6.41 3.02 -1.26 -4.84 115.26 109.07 2k1g n ASN 127 Ca 0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.23 2k1g n ASN 127 Cb 0.55 -1.71 -0.06 0.00 -0.61 0.00 0.00 39.78 37.96 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 -0.77 3.91 -0.00 3.52 -0.21 -0.14 -0.65 119.66 125.30 2k1g s GLN 128 Ca 0.00 0.41 -0.23 0.00 0.02 0.00 0.00 55.36 55.57 2k1g s GLN 128 Cb 0.00 -2.77 0.05 0.00 1.00 0.00 0.00 33.01 31.29 2k1g s GLN 128 CO 0.00 0.38 0.50 -0.59 -2.12 0.00 0.00 175.29 173.47 2k1g s PHE 129 N -1.66 -0.42 -0.15 0.91 -0.12 0.52 -1.09 117.98 115.98 2k1g s PHE 129 Ca 0.43 0.61 -0.07 0.00 -0.05 0.00 0.00 56.93 57.85 2k1g s PHE 129 Cb -0.13 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 2k1g s PHE 129 CO 0.20 -0.55 0.11 0.54 -0.05 0.00 0.00 175.22 175.47 2k1g s VAL 130 N -1.70 5.24 0.30 -2.49 0.11 -0.72 -0.89 120.40 120.25 2k1g s VAL 130 Ca -0.10 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.93 2k1g s VAL 130 Cb -0.02 -3.32 0.02 0.00 -1.53 0.00 0.00 36.38 31.53 2k1g s VAL 130 CO 0.04 0.55 0.60 -1.38 -3.33 0.00 0.00 175.10 171.58 2k1g s HIS 131 N -0.45 0.30 -0.61 1.54 -3.43 -0.61 -0.79 115.29 111.24 2k1g s HIS 131 Ca 0.11 -0.73 -0.13 0.00 -0.80 0.00 0.00 55.06 53.51 2k1g s HIS 131 Cb -0.12 0.41 0.15 0.00 -1.43 0.00 0.00 32.58 31.60 2k1g s HIS 131 CO 0.02 -1.20 0.54 0.00 -2.00 0.00 0.00 174.74 172.09 2k1g s ALA 132 N -3.46 3.71 0.23 -1.38 0.00 -1.26 -1.06 121.76 118.54 2k1g s ALA 132 Ca 0.20 -2.79 -0.30 0.00 0.00 0.00 0.00 51.96 49.07 2k1g s ALA 132 Cb -0.03 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2k1g s ALA 132 CO 0.11 -2.07 1.32 0.45 0.00 0.00 0.00 175.76 175.57 2k1g s SER 133 N 2.87 6.85 0.60 0.00 0.15 0.10 -4.22 113.70 120.05 2k1g s SER 133 Ca 0.08 2.48 0.38 0.00 0.70 0.00 0.00 55.95 59.59 2k1g s SER 133 Cb -0.23 -2.62 1.83 0.00 -1.71 0.00 0.00 66.02 63.29 2k1g s SER 133 CO -0.01 -0.54 2.16 0.71 1.20 0.00 0.00 173.24 176.76 2k1g h THR 134 N 3.59 0.08 0.00 6.45 1.35 -1.96 0.17 112.91 122.58 2k1g h THR 134 Ca -0.46 -0.30 -0.31 0.00 -0.55 0.00 0.00 66.41 64.80 2k1g h THR 134 Cb 1.22 1.28 -0.05 0.00 -1.73 0.00 0.00 68.15 68.87 2k1g h THR 134 CO 0.75 0.02 -1.87 -1.20 -0.25 0.00 0.00 175.52 172.97 2k1g n SER 135 N -3.16 1.92 -0.01 5.36 7.64 -1.26 -4.73 113.62 119.38 2k1g n SER 135 Ca -0.01 0.38 0.10 0.00 1.01 0.00 0.00 58.87 60.34 2k1g n SER 135 Cb 0.20 -0.84 -0.14 0.00 -1.01 0.00 0.00 64.21 62.41 2k1g n SER 135 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k1g n SER 136 N -4.35 0.57 0.00 6.43 7.64 -1.23 -4.98 113.62 117.70 2k1g n SER 136 Ca -0.40 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2k1g n SER 136 Cb 0.74 1.60 0.00 0.00 -1.01 0.00 0.00 64.21 65.53 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1g n GLY 137 N 1.39 -0.86 3.57 0.23 0.00 0.59 -4.79 105.19 105.33 2k1g n GLY 137 Ca -0.01 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.09 2k1g n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 138 N 0.00 3.20 0.32 1.61 1.01 -0.30 0.01 120.40 126.26 2k1g s VAL 138 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2k1g s VAL 138 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2k1g s VAL 138 CO 0.00 -0.33 0.29 0.27 0.00 0.00 0.00 175.10 175.33 2k1g s ILE 139 N 9.40 0.00 -0.08 2.22 -4.36 -0.22 -3.20 121.20 124.96 2k1g s ILE 139 Ca 0.87 -1.96 -0.05 0.00 -0.26 0.00 0.00 60.65 59.24 2k1g s ILE 139 Cb -0.20 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 2k1g s ILE 139 CO 0.28 0.00 0.13 -0.63 0.24 0.00 0.00 174.94 174.96 2k1g s ILE 140 N -3.46 5.29 0.15 8.37 -1.09 -1.26 -1.57 121.20 127.63 2k1g s ILE 140 Ca 0.40 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.78 2k1g s ILE 140 Cb 0.02 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2k1g s ILE 140 CO 0.26 0.53 0.20 -0.44 -1.23 0.00 0.00 174.94 174.25 2k1g s SER 141 N -1.28 0.14 0.01 3.58 0.01 -0.07 -5.00 113.70 111.10 2k1g s SER 141 Ca 0.18 -1.01 0.01 0.00 1.31 0.00 0.00 55.95 56.44 2k1g s SER 141 Cb -0.12 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 2k1g s SER 141 CO 0.08 -0.83 -0.03 -0.44 0.41 0.00 0.00 173.24 172.43 2k1g s SER 142 N -3.00 0.30 0.00 2.44 0.01 -1.26 -0.35 113.70 111.84 2k1g s SER 142 Ca 0.20 -0.17 0.20 0.00 1.31 0.00 0.00 55.95 57.48 2k1g s SER 142 Cb 0.05 0.00 1.07 0.00 0.21 0.00 0.00 66.02 67.35 2k1g s SER 142 CO 0.01 -0.06 1.59 0.23 0.41 0.00 0.00 173.24 175.42 2k1g n MET 143 N 2.60 0.43 0.16 12.44 2.81 0.17 -1.13 117.12 134.61 2k1g n MET 143 Ca -0.16 0.06 0.13 0.00 -1.81 0.00 0.00 57.70 55.92 2k1g n MET 143 Cb 0.58 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 32.06 2k1g n MET 143 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2k1g h ASN 144 N 0.00 0.00 -3.40 7.83 2.35 -1.88 -3.27 115.58 117.20 2k1g h ASN 144 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 2k1g h ASN 144 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2k1g h ASN 144 CO 0.00 0.00 0.12 -1.61 -1.65 0.00 0.00 177.43 174.29 2k1g s GLU 145 N -3.31 4.45 0.26 0.81 0.41 -0.29 -4.94 118.70 116.09 2k1g s GLU 145 Ca 0.06 0.99 -0.03 0.00 -0.41 0.00 0.00 54.97 55.58 2k1g s GLU 145 Cb 0.10 -3.35 0.53 0.00 -1.78 0.00 0.00 34.13 29.63 2k1g s GLU 145 CO 0.51 0.32 1.69 -1.00 -0.49 0.00 0.00 175.26 176.29 2k1g h PRO 146 N 5.57 0.30 -0.42 0.39 0.13 -1.86 0.21 132.00 136.33 2k1g h PRO 146 Ca -0.44 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2k1g h PRO 146 Cb 1.20 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2k1g h PRO 146 CO 0.70 0.20 0.10 -0.92 -0.23 0.00 0.00 178.00 177.86 2k1g h TYR 147 N 0.31 0.71 0.03 1.56 3.20 -1.94 -3.12 116.97 117.72 2k1g h TYR 147 Ca 0.46 -0.08 -0.21 0.00 3.14 0.00 0.00 58.73 62.03 2k1g h TYR 147 Cb 0.80 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2k1g h TYR 147 CO -0.23 0.66 -0.97 -1.49 -1.64 0.00 0.00 178.16 174.50 2k1g h TRP 148 N 0.54 0.28 -0.30 -3.82 4.06 -1.60 -3.22 115.95 111.90 2k1g h TRP 148 Ca 0.13 -0.17 0.04 0.00 2.06 0.00 0.00 58.89 60.95 2k1g h TRP 148 Cb 0.31 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.41 2k1g h TRP 148 CO 0.02 1.04 0.04 -0.22 -3.56 0.00 0.00 178.44 175.76 2k1g h LYS 149 N 0.08 0.14 0.00 0.49 3.64 -0.93 -2.61 116.57 117.38 2k1g h LYS 149 Ca -0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k1g h LYS 149 Cb 1.64 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2k1g h LYS 149 CO 0.15 0.09 -0.30 0.36 -2.27 0.00 0.00 179.45 177.48 2k1g n LYS 150 N -5.11 0.22 0.00 1.90 2.85 -1.18 -3.81 118.16 113.03 2k1g n LYS 150 Ca -0.00 0.12 0.11 0.00 -1.05 0.00 0.00 58.31 57.49 2k1g n LYS 150 Cb 0.14 -1.70 0.03 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.06 1.54 -1.68 -1.58 5.12 -1.06 -4.96 116.66 111.99 2k1g n ARG 151 Ca 0.05 -1.26 -0.49 0.00 -1.93 0.00 0.00 57.85 54.22 2k1g n ARG 151 Cb 0.42 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 30.20 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2k1g n TYR 152 N 0.37 2.25 -0.03 -1.55 9.36 -1.01 -2.08 117.16 124.48 2k1g n TYR 152 Ca 0.10 0.15 -0.03 0.00 3.32 0.00 0.00 57.90 61.44 2k1g n TYR 152 Cb 0.50 -2.60 -0.01 0.00 -0.63 0.00 0.00 39.34 36.60 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 5.53 0.65 -3.59 2.98 5.15 0.37 -4.90 115.26 121.44 2k1g n ASN 153 Ca 0.21 0.16 -0.13 0.00 -0.60 0.00 0.00 54.58 54.22 2k1g n ASN 153 Cb 0.27 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.87 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k1g s GLU 154 N -1.61 0.73 0.01 1.20 -1.05 -1.17 -5.01 118.70 111.80 2k1g s GLU 154 Ca -0.09 0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 55.23 2k1g s GLU 154 Cb 0.01 0.35 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 2k1g s GLU 154 CO 0.13 -0.16 0.13 0.00 0.95 0.00 0.00 175.26 176.31 2k1g s ALA 155 N -0.38 3.75 -0.17 -0.84 0.00 -1.24 -0.57 121.76 122.30 2k1g s ALA 155 Ca -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 2k1g s ALA 155 Cb -0.03 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.45 2k1g s ALA 155 CO 0.01 0.73 0.05 1.03 0.00 0.00 0.00 175.76 177.58 2k1g s ARG 156 N -1.93 0.40 -0.06 0.00 0.52 0.62 -0.67 118.95 117.84 2k1g s ARG 156 Ca 0.26 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 2k1g s ARG 156 Cb -0.12 -1.83 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 2k1g s ARG 156 CO 0.18 -0.61 1.22 -0.98 0.02 0.00 0.00 175.30 175.13 2k1g s ARG 157 N 1.99 4.34 -0.02 3.54 3.03 0.23 -0.29 118.95 131.76 2k1g s ARG 157 Ca 0.01 1.70 0.18 0.00 2.03 0.00 0.00 55.73 59.65 2k1g s ARG 157 Cb -0.16 -3.57 -0.28 0.00 -1.03 0.00 0.00 34.95 29.91 2k1g s ARG 157 CO -0.08 -0.47 0.42 1.33 -1.13 0.00 0.00 175.30 175.37 2k1g n VAL 158 N 4.65 0.00 -2.70 4.99 0.24 -1.25 -2.42 118.33 121.83 2k1g n VAL 158 Ca 0.11 -0.40 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 2k1g n VAL 158 Cb 0.46 0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 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 -4.20 3.97 -0.56 1.34 1.43 -1.26 -5.01 118.68 114.38 2k1g s LEU 159 Ca -0.06 1.82 -0.23 0.00 -1.03 0.00 0.00 54.13 54.62 2k1g s LEU 159 Cb 0.12 -4.46 0.05 0.00 0.03 0.00 0.00 46.19 41.92 2k1g s LEU 159 CO 0.76 -0.48 0.91 -0.44 0.23 0.00 0.00 176.35 177.33 2k1g s SER 160 N -2.00 6.30 0.00 2.29 0.01 -1.26 -4.85 113.70 114.19 2k1g s SER 160 Ca 0.62 -0.51 0.25 0.00 1.31 0.00 0.00 55.95 57.62 2k1g s SER 160 Cb -0.14 -2.42 0.69 0.00 0.21 0.00 0.00 66.02 64.37 2k1g s SER 160 CO 0.18 -1.23 1.54 0.54 0.41 0.00 0.00 173.24 174.67 2k1g n ARG 161 N 7.38 1.95 -1.18 12.44 5.12 -1.26 -4.93 116.66 136.18 2k1g n ARG 161 Ca -0.00 -1.40 0.00 0.00 -1.93 0.00 0.00 57.85 54.52 2k1g n ARG 161 Cb 0.47 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2k1g n ARG 161 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2k1g n SER 162 N 0.67 0.82 -4.76 0.55 7.64 -1.26 -5.09 113.62 112.19 2k1g n SER 162 Ca 0.17 -0.84 -0.41 0.00 1.01 0.00 0.00 58.87 58.80 2k1g n SER 162 Cb 0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 2k1g n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k1g s LEU 163 N 0.00 4.36 0.00 -3.43 0.20 -1.26 -5.25 118.68 113.29 2k1g s LEU 163 Ca 0.00 2.89 0.23 0.00 0.69 0.00 0.00 54.13 57.94 2k1g s LEU 163 Cb 0.00 -3.64 1.37 0.00 -0.43 0.00 0.00 46.19 43.49 2k1g s LEU 163 CO 0.00 -0.81 1.74 -0.62 -0.29 0.00 0.00 176.35 176.38