#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k88 n THR 57 N 0.00 1.17 -0.39 3.45 -2.24 -1.26 -4.23 114.28 110.79 1k88 n THR 57 Ca 0.00 -1.15 0.04 0.00 -2.27 0.00 0.00 64.05 60.68 1k88 n THR 57 Cb 0.00 0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 1k88 n THR 57 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1k88 n TYR 58 N 0.03 0.21 -3.93 4.78 4.02 -1.26 -5.00 117.16 116.01 1k88 n TYR 58 Ca 0.10 -0.65 -0.10 0.00 -0.01 0.00 0.00 57.90 57.23 1k88 n TYR 58 Cb 0.43 -0.10 -0.12 0.00 -0.02 0.00 0.00 39.34 39.54 1k88 n TYR 58 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1k88 s GLN 59 N -1.62 0.21 0.25 -0.72 -2.07 -1.26 -0.87 119.66 113.57 1k88 s GLN 59 Ca 0.17 -0.34 -0.31 0.00 -1.82 0.00 0.00 55.36 53.06 1k88 s GLN 59 Cb 0.13 0.08 -0.14 0.00 -1.09 0.00 0.00 33.01 31.99 1k88 s GLN 59 CO 0.05 -0.04 1.35 0.66 -1.32 0.00 0.00 175.29 175.99 1k88 n TYR 60 N 2.18 2.03 -1.98 9.60 4.01 -0.77 -4.83 117.16 127.40 1k88 n TYR 60 Ca -0.19 0.49 -0.42 0.00 -0.16 0.00 0.00 57.90 57.61 1k88 n TYR 60 Cb 0.57 -2.42 -0.03 0.00 -0.31 0.00 0.00 39.34 37.15 1k88 n TYR 60 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1k88 s ASN 61 N 0.15 6.56 -0.06 7.72 2.47 -1.26 -4.85 114.94 125.67 1k88 s ASN 61 Ca 0.67 2.16 0.13 0.00 0.42 0.00 0.00 52.86 56.24 1k88 s ASN 61 Cb -0.67 -2.53 0.41 0.00 -1.45 0.00 0.00 41.25 37.01 1k88 s ASN 61 CO 0.52 -1.03 1.33 0.23 -3.72 0.00 0.00 177.10 174.43 1k88 n MET 62 N 7.31 2.95 -2.47 0.43 2.81 -1.26 -4.85 117.12 122.04 1k88 n MET 62 Ca 0.18 -2.35 -0.43 0.00 -1.81 0.00 0.00 57.70 53.30 1k88 n MET 62 Cb 0.43 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1k88 n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1k88 n ASN 63 N 0.30 4.84 -4.31 7.83 2.85 -1.26 -4.89 115.26 120.62 1k88 n ASN 63 Ca 0.16 -2.96 -0.16 0.00 -0.11 0.00 0.00 54.58 51.51 1k88 n ASN 63 Cb 0.59 -1.63 -0.10 0.00 1.24 0.00 0.00 39.78 39.88 1k88 n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1k88 s PHE 64 N 2.56 1.48 0.14 1.20 0.40 -1.26 -5.05 117.98 117.45 1k88 s PHE 64 Ca 0.47 -0.90 -0.29 0.00 -0.60 0.00 0.00 56.93 55.61 1k88 s PHE 64 Cb 0.05 -0.84 -0.03 0.00 0.51 0.00 0.00 43.02 42.71 1k88 s PHE 64 CO 0.01 -0.04 1.57 0.93 0.70 0.00 0.00 175.22 178.39 1k88 h GLU 65 N 2.55 -0.38 -5.28 0.44 5.08 -1.87 -3.43 114.58 111.69 1k88 h GLU 65 Ca -0.38 0.03 -0.38 0.00 -1.00 0.00 0.00 59.36 57.63 1k88 h GLU 65 Cb 1.22 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.40 1k88 h GLU 65 CO 0.64 -0.25 -0.73 -1.59 -1.00 0.00 0.00 179.01 176.08 1k88 s LYS 66 N -5.83 1.12 0.14 2.33 -2.85 -0.43 -5.06 119.74 109.17 1k88 s LYS 66 Ca -0.15 -1.43 -0.16 0.00 -1.00 0.00 0.00 55.97 53.24 1k88 s LYS 66 Cb 0.10 -0.82 0.01 0.00 -2.06 0.00 0.00 37.83 35.06 1k88 s LYS 66 CO 0.64 0.13 1.73 1.25 0.10 0.00 0.00 175.35 179.20 1k88 h LEU 67 N 2.92 0.54 0.00 2.77 6.46 -1.84 -1.85 115.31 124.31 1k88 h LEU 67 Ca -0.38 -0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1k88 h LEU 67 Cb 1.20 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1k88 h LEU 67 CO 0.60 0.50 0.00 0.61 -0.62 0.00 0.00 178.44 179.53 1k88 n GLY 68 N -0.93 1.03 3.89 3.75 0.00 -1.26 -0.31 105.19 111.35 1k88 n GLY 68 Ca 0.00 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 1k88 n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k88 s LYS 69 N -1.00 3.69 -0.23 1.61 2.20 -1.25 -1.93 119.74 122.83 1k88 s LYS 69 Ca 0.00 0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1k88 s LYS 69 Cb 0.00 -2.83 0.06 0.00 -1.51 0.00 0.00 37.83 33.55 1k88 s LYS 69 CO 0.00 0.45 -0.06 0.00 -0.36 0.00 0.00 175.35 175.38 1k88 s ILE 71 N 1.40 5.21 -0.22 0.00 -1.09 0.15 -1.38 121.20 125.27 1k88 s ILE 71 Ca -0.05 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.14 1k88 s ILE 71 Cb -0.18 -3.74 0.03 0.00 -1.58 0.00 0.00 42.46 36.99 1k88 s ILE 71 CO -0.06 0.28 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.16 1k88 s ILE 72 N 1.05 2.28 -0.44 2.92 1.01 -0.13 0.24 121.20 128.12 1k88 s ILE 72 Ca 0.21 -1.19 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 1k88 s ILE 72 Cb -0.15 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.24 1k88 s ILE 72 CO 0.08 0.28 0.37 -0.63 0.00 0.00 0.00 174.94 175.04 1k88 s ILE 73 N 1.23 5.21 -0.50 2.92 1.01 -0.30 -0.56 121.20 130.21 1k88 s ILE 73 Ca -0.01 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.71 1k88 s ILE 73 Cb -0.16 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.37 1k88 s ILE 73 CO -0.08 -0.47 0.42 0.21 0.00 0.00 0.00 174.94 175.02 1k88 s ASN 74 N 2.16 5.99 -0.47 3.58 3.04 0.58 -1.33 114.94 128.49 1k88 s ASN 74 Ca 0.06 -1.74 -0.14 0.00 0.04 0.00 0.00 52.86 51.07 1k88 s ASN 74 Cb -0.21 -2.13 0.08 0.00 -1.54 0.00 0.00 41.25 37.45 1k88 s ASN 74 CO 0.09 -0.76 0.38 0.20 -3.04 0.00 0.00 177.10 173.97 1k88 s ASN 75 N 3.07 6.05 -0.26 -4.21 0.01 0.14 -1.02 114.94 118.72 1k88 s ASN 75 Ca 0.04 -1.42 -0.04 0.00 -0.71 0.00 0.00 52.86 50.73 1k88 s ASN 75 Cb -0.28 -2.15 -0.16 0.00 0.41 0.00 0.00 41.25 39.08 1k88 s ASN 75 CO 0.02 -0.65 -0.22 1.17 -1.51 0.00 0.00 177.10 175.91 1k88 n LYS 76 N 5.15 0.64 -4.41 -0.60 4.81 -1.26 -4.53 118.16 117.95 1k88 n LYS 76 Ca -0.12 0.20 -0.33 0.00 -0.87 0.00 0.00 58.31 57.19 1k88 n LYS 76 Cb 0.43 -1.53 -0.10 0.00 0.02 0.00 0.00 35.03 33.85 1k88 n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1k88 s ASN 77 N -6.86 4.84 0.07 3.14 0.01 -1.26 -1.44 114.94 113.44 1k88 s ASN 77 Ca -0.35 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 1k88 s ASN 77 Cb 0.11 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.53 1k88 s ASN 77 CO 0.58 0.30 -0.11 -0.36 -1.51 0.00 0.00 177.10 176.00 1k88 s PHE 78 N -1.00 0.97 0.39 2.20 0.40 -1.26 -4.59 117.98 115.09 1k88 s PHE 78 Ca 0.17 -0.54 -0.27 0.00 -0.60 0.00 0.00 56.93 55.69 1k88 s PHE 78 Cb -0.11 -0.55 -0.10 0.00 0.51 0.00 0.00 43.02 42.77 1k88 s PHE 78 CO 0.07 -0.01 1.41 -0.51 0.70 0.00 0.00 175.22 176.88 1k88 s ASP 79 N -1.92 6.30 0.47 1.36 1.01 0.03 -4.86 116.67 119.06 1k88 s ASP 79 Ca -0.02 2.89 0.32 0.00 0.71 0.00 0.00 52.55 56.45 1k88 s ASP 79 Cb -0.08 -2.66 1.52 0.00 1.01 0.00 0.00 42.92 42.72 1k88 s ASP 79 CO 0.01 -0.89 1.97 0.07 0.21 0.00 0.00 175.17 176.54 1k88 h LYS 80 N 2.85 0.00 0.00 8.23 2.10 -1.89 -2.42 116.57 125.43 1k88 h LYS 80 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 1k88 h LYS 80 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1k88 h LYS 80 CO 0.63 0.00 -0.04 0.28 -2.00 0.00 0.00 179.45 178.32 1k88 h VAL 81 N 0.00 0.57 0.00 0.07 2.07 -1.94 -1.53 116.25 115.50 1k88 h VAL 81 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1k88 h VAL 81 Cb 0.26 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1k88 h VAL 81 CO 0.00 0.04 -0.04 0.71 0.02 0.00 0.00 177.57 178.30 1k88 h THR 82 N 0.00 0.00 0.00 2.57 1.35 -1.76 -3.47 112.91 111.60 1k88 h THR 82 Ca -0.00 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1k88 h THR 82 Cb 0.10 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1k88 h THR 82 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1k88 n GLY 83 N 1.16 1.04 3.88 5.82 0.00 -0.58 -5.02 105.19 111.50 1k88 n GLY 83 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1k88 n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k88 s MET 84 N -0.07 3.75 0.29 1.61 -1.94 -1.26 -4.90 119.30 116.78 1k88 s MET 84 Ca 0.00 0.22 0.03 0.00 -1.71 0.00 0.00 55.69 54.23 1k88 s MET 84 Cb 0.00 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.27 1k88 s MET 84 CO 0.00 0.22 0.24 0.41 -0.01 0.00 0.00 175.02 175.89 1k88 n GLY 85 N -0.59 2.76 3.77 -0.03 0.00 -1.26 -4.73 105.19 105.10 1k88 n GLY 85 Ca 0.00 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1k88 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k88 s VAL 86 N -1.35 2.60 -1.00 1.61 1.01 -1.26 -4.63 120.40 117.38 1k88 s VAL 86 Ca 0.19 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.67 1k88 s VAL 86 Cb -0.01 -3.38 0.25 0.00 0.00 0.00 0.00 36.38 33.24 1k88 s VAL 86 CO 0.12 0.14 0.96 -0.13 0.00 0.00 0.00 175.10 176.19 1k88 s ARG 87 N -1.75 3.89 0.19 2.72 0.52 -0.52 -5.03 118.95 118.96 1k88 s ARG 87 Ca 0.50 -3.00 -0.30 0.00 -0.52 0.00 0.00 55.73 52.40 1k88 s ARG 87 Cb -0.41 -4.43 -0.09 0.00 0.52 0.00 0.00 34.95 30.54 1k88 s ARG 87 CO 0.54 -1.25 1.32 -0.80 0.02 0.00 0.00 175.30 175.12 1k88 s ASN 88 N 1.36 6.89 0.00 0.23 0.01 -1.26 -2.59 114.94 119.57 1k88 s ASN 88 Ca 0.26 2.39 0.00 0.00 -0.71 0.00 0.00 52.86 54.80 1k88 s ASN 88 Cb -0.10 -2.61 0.00 0.00 0.41 0.00 0.00 41.25 38.95 1k88 s ASN 88 CO -0.09 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.57 1k88 n GLY 89 N 2.49 2.93 0.29 0.66 0.00 -1.26 -4.90 105.19 105.40 1k88 n GLY 89 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1k88 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k88 h THR 90 N 0.00 1.24 -0.50 2.61 1.03 -1.88 -2.27 112.91 113.14 1k88 h THR 90 Ca 0.00 -0.96 -0.06 0.00 -0.01 0.00 0.00 66.41 65.39 1k88 h THR 90 Cb 0.00 0.86 -0.02 0.00 -1.07 0.00 0.00 68.15 67.92 1k88 h THR 90 CO 0.00 0.34 0.08 0.44 -0.01 0.00 0.00 175.52 176.37 1k88 h ASP 91 N 0.72 0.74 -0.05 0.00 5.19 -1.92 -0.39 116.42 120.71 1k88 h ASP 91 Ca 0.14 -0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1k88 h ASP 91 Cb 0.42 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 1k88 h ASP 91 CO 0.02 0.75 -0.36 0.50 -3.12 0.00 0.00 179.24 177.03 1k88 h LYS 92 N 0.75 0.55 -0.16 3.56 1.63 -1.62 -1.00 116.57 120.28 1k88 h LYS 92 Ca 0.16 -0.26 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1k88 h LYS 92 Cb 0.34 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1k88 h LYS 92 CO 0.01 0.83 0.00 -0.44 -3.45 0.00 0.00 179.45 176.40 1k88 h ASP 93 N 0.46 0.27 -0.15 4.20 3.32 -0.98 -2.33 116.42 121.22 1k88 h ASP 93 Ca 0.05 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.84 1k88 h ASP 93 Cb 0.84 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 1k88 h ASP 93 CO 0.07 0.51 -0.11 0.00 -1.72 0.00 0.00 179.24 177.99 1k88 h ALA 94 N 0.77 0.00 -0.53 3.45 0.00 -0.90 0.52 119.26 122.57 1k88 h ALA 94 Ca 0.05 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1k88 h ALA 94 Cb 0.37 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1k88 h ALA 94 CO 0.01 -0.56 0.13 0.93 0.00 0.00 0.00 179.25 179.76 1k88 h GLU 95 N -0.12 0.27 -0.01 0.00 4.39 -1.15 -1.38 114.58 116.58 1k88 h GLU 95 Ca 0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1k88 h GLU 95 Cb 0.26 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1k88 h GLU 95 CO -0.23 0.18 0.00 0.00 -1.16 0.00 0.00 179.01 177.80 1k88 h ALA 96 N 1.40 0.01 0.02 3.43 0.00 -0.83 -2.60 119.26 120.70 1k88 h ALA 96 Ca 0.27 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1k88 h ALA 96 Cb 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1k88 h ALA 96 CO -0.33 -0.35 -0.19 -0.07 0.00 0.00 0.00 179.25 178.30 1k88 h LEU 97 N -0.25 -0.57 -0.75 0.00 3.38 -0.63 0.12 115.31 116.61 1k88 h LEU 97 Ca 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1k88 h LEU 97 Cb 0.27 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1k88 h LEU 97 CO 0.00 -0.26 0.44 2.19 0.09 0.00 0.00 178.44 180.89 1k88 h PHE 98 N -0.32 1.01 -0.20 1.13 -5.15 -1.31 0.19 116.94 112.28 1k88 h PHE 98 Ca 0.05 -0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.80 1k88 h PHE 98 Cb 0.39 -0.33 -0.01 0.00 0.22 0.00 0.00 35.95 36.22 1k88 h PHE 98 CO -0.23 0.69 0.08 0.87 -2.00 0.00 0.00 178.31 177.72 1k88 h LYS 99 N 1.03 0.30 0.20 6.09 1.57 -1.22 -0.99 116.57 123.54 1k88 h LYS 99 Ca 0.27 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1k88 h LYS 99 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1k88 h LYS 99 CO -0.05 0.35 -0.16 0.00 -0.57 0.00 0.00 179.45 179.02 1k88 h PHE 101 N -0.38 0.00 -0.12 0.00 -1.00 -0.67 -1.26 116.94 113.52 1k88 h PHE 101 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1k88 h PHE 101 Cb 0.34 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1k88 h PHE 101 CO -0.12 0.28 0.02 -0.09 -1.61 0.00 0.00 178.31 176.79 1k88 h ARG 102 N 0.00 0.20 -0.52 1.51 2.43 -0.86 0.18 114.38 117.32 1k88 h ARG 102 Ca -0.00 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1k88 h ARG 102 Cb 0.71 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.20 1k88 h ARG 102 CO 0.04 0.40 0.26 1.03 -1.51 0.00 0.00 179.97 180.19 1k88 h SER 103 N -0.03 0.38 -0.07 -3.80 0.87 -0.89 0.30 113.55 110.31 1k88 h SER 103 Ca 0.04 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1k88 h SER 103 Cb 0.29 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1k88 h SER 103 CO 0.00 0.26 0.13 -0.07 -0.53 0.00 0.00 176.83 176.62 1k88 h LEU 104 N 0.51 0.00 0.00 2.23 3.38 -0.94 -3.45 115.31 117.04 1k88 h LEU 104 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1k88 h LEU 104 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1k88 h LEU 104 CO -0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1k88 n GLY 105 N -1.28 1.39 3.87 0.83 0.00 0.09 -4.96 105.19 105.13 1k88 n GLY 105 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1k88 n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1k88 s PHE 106 N -2.00 3.50 -0.60 1.61 0.40 0.00 -4.33 117.98 116.56 1k88 s PHE 106 Ca 0.00 1.12 -0.18 0.00 -0.60 0.00 0.00 56.93 57.27 1k88 s PHE 106 Cb 0.00 -2.52 0.12 0.00 0.51 0.00 0.00 43.02 41.13 1k88 s PHE 106 CO 0.00 -0.25 0.66 -0.51 0.70 0.00 0.00 175.22 175.82 1k88 s ASP 107 N -3.41 6.24 0.09 1.36 1.01 -0.81 -4.44 116.67 116.71 1k88 s ASP 107 Ca 0.53 -1.66 -0.22 0.00 0.71 0.00 0.00 52.55 51.91 1k88 s ASP 107 Cb -0.10 -2.27 -0.07 0.00 1.01 0.00 0.00 42.92 41.49 1k88 s ASP 107 CO 0.36 -1.00 0.66 -0.69 0.21 0.00 0.00 175.17 174.71 1k88 s VAL 108 N 2.17 4.65 -0.06 -1.27 1.01 -1.26 -1.95 120.40 123.69 1k88 s VAL 108 Ca 0.10 1.42 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1k88 s VAL 108 Cb -0.24 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1k88 s VAL 108 CO 0.04 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.83 1k88 s ILE 109 N -0.85 1.52 -0.17 2.22 -1.09 -0.48 -4.97 121.20 117.39 1k88 s ILE 109 Ca 0.32 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1k88 s ILE 109 Cb -0.21 -1.33 0.02 0.00 -1.58 0.00 0.00 42.46 39.37 1k88 s ILE 109 CO 0.21 0.44 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.48 1k88 s VAL 110 N 0.26 1.97 0.05 2.92 1.01 -1.26 -0.95 120.40 124.40 1k88 s VAL 110 Ca -0.10 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1k88 s VAL 110 Cb -0.14 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1k88 s VAL 110 CO 0.04 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.39 1k88 s TYR 111 N 1.22 3.11 0.08 5.22 1.51 0.28 -5.00 117.35 123.76 1k88 s TYR 111 Ca 0.02 0.07 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 1k88 s TYR 111 Cb -0.14 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1k88 s TYR 111 CO -0.10 0.50 -0.14 -0.80 -1.11 0.00 0.00 175.55 173.89 1k88 s ASN 112 N -2.03 1.72 -1.27 2.29 -0.87 -1.26 -0.31 114.94 113.21 1k88 s ASN 112 Ca 0.25 -0.65 -0.26 0.00 -1.57 0.00 0.00 52.86 50.63 1k88 s ASN 112 Cb -0.12 -0.05 0.04 0.00 -0.02 0.00 0.00 41.25 41.10 1k88 s ASN 112 CO 0.16 -0.09 0.48 0.47 -2.57 0.00 0.00 177.10 175.56 1k88 n ASP 113 N 1.16 -2.65 -4.83 -1.22 8.00 -0.19 -4.89 116.55 111.94 1k88 n ASP 113 Ca -0.20 -1.27 -0.34 0.00 0.71 0.00 0.00 54.79 53.69 1k88 n ASP 113 Cb 0.55 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.04 1k88 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k88 s SER 115 N -2.07 3.89 0.03 0.00 1.04 -1.26 -0.68 113.70 114.64 1k88 s SER 115 Ca 0.55 0.53 -0.23 0.00 0.48 0.00 0.00 55.95 57.28 1k88 s SER 115 Cb -0.12 -0.82 -0.16 0.00 0.10 0.00 0.00 66.02 65.02 1k88 s SER 115 CO 0.17 -2.27 1.40 0.00 0.98 0.00 0.00 173.24 173.52 1k88 h ALA 117 N 0.66 1.54 -0.00 0.00 0.00 -2.00 -1.70 119.26 117.77 1k88 h ALA 117 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1k88 h ALA 117 Cb 0.42 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1k88 h ALA 117 CO 0.01 0.28 -0.06 -0.22 0.00 0.00 0.00 179.25 179.26 1k88 h LYS 118 N 0.99 -0.10 -0.61 0.00 3.11 -1.83 -0.76 116.57 117.38 1k88 h LYS 118 Ca 0.43 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.27 1k88 h LYS 118 Cb 0.33 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 1k88 h LYS 118 CO -0.18 -0.07 0.35 0.52 -2.81 0.00 0.00 179.45 177.26 1k88 h MET 119 N -0.10 0.84 0.19 1.90 2.86 -0.40 -1.11 114.93 119.11 1k88 h MET 119 Ca 0.03 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1k88 h MET 119 Cb 0.14 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1k88 h MET 119 CO -0.07 0.61 -0.09 1.96 1.06 0.00 0.00 176.91 180.39 1k88 h GLN 120 N 0.82 -0.25 -0.45 1.72 1.08 -1.03 -1.76 115.11 115.25 1k88 h GLN 120 Ca 0.22 0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.39 1k88 h GLN 120 Cb 0.00 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1k88 h GLN 120 CO -0.04 -0.12 0.11 0.22 -0.95 0.00 0.00 178.83 178.05 1k88 h ASP 121 N -0.32 0.63 0.36 1.46 3.58 -1.13 -1.42 116.42 119.58 1k88 h ASP 121 Ca -0.03 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.32 1k88 h ASP 121 Cb 0.24 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 1k88 h ASP 121 CO 0.04 0.63 -0.45 0.25 -2.88 0.00 0.00 179.24 176.83 1k88 h LEU 122 N 0.66 -1.25 -0.35 2.28 5.85 -0.91 -1.46 115.31 120.13 1k88 h LEU 122 Ca 0.15 0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.82 1k88 h LEU 122 Cb 0.25 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1k88 h LEU 122 CO -0.00 -0.58 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.04 1k88 h LEU 123 N -0.84 0.96 0.14 2.25 3.38 -1.22 -2.74 115.31 117.23 1k88 h LEU 123 Ca -0.03 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.47 1k88 h LEU 123 Cb 0.77 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1k88 h LEU 123 CO -0.12 1.25 -0.34 0.50 0.09 0.00 0.00 178.44 179.82 1k88 h LYS 124 N 0.69 -0.56 -0.56 1.13 3.64 -1.19 0.23 116.57 119.95 1k88 h LYS 124 Ca 0.05 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.58 1k88 h LYS 124 Cb 1.00 0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 1k88 h LYS 124 CO 0.10 -0.37 -0.06 0.87 -2.27 0.00 0.00 179.45 177.72 1k88 h LYS 125 N -0.58 0.06 -0.88 1.90 6.56 -1.30 0.62 116.57 122.95 1k88 h LYS 125 Ca 0.03 -0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.68 1k88 h LYS 125 Cb 0.60 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.18 1k88 h LYS 125 CO -0.19 0.04 0.55 0.00 -2.06 0.00 0.00 179.45 177.79 1k88 h ALA 126 N 1.53 1.21 0.00 3.86 0.00 -0.96 0.32 119.26 125.22 1k88 h ALA 126 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1k88 h ALA 126 Cb 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1k88 h ALA 126 CO -0.52 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 1k88 n SER 127 N -4.61 0.00 -0.30 0.00 3.41 0.72 -2.08 113.62 110.76 1k88 n SER 127 Ca 0.13 -0.49 0.05 0.00 -0.26 0.00 0.00 58.87 58.30 1k88 n SER 127 Cb 0.18 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1k88 n SER 127 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k88 n GLU 128 N -1.04 1.32 -1.65 4.33 1.02 0.11 -4.51 120.64 120.23 1k88 n GLU 128 Ca 0.13 -0.83 -0.29 0.00 -0.02 0.00 0.00 57.16 56.15 1k88 n GLU 128 Cb 0.07 -1.13 0.17 0.00 -0.02 0.00 0.00 31.44 30.53 1k88 n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1k88 s GLU 129 N -1.10 0.64 -0.60 3.49 2.02 -0.88 -4.99 118.70 117.28 1k88 s GLU 129 Ca 0.10 -0.06 -0.17 0.00 0.02 0.00 0.00 54.97 54.86 1k88 s GLU 129 Cb 0.08 -1.81 0.13 0.00 0.10 0.00 0.00 34.13 32.63 1k88 s GLU 129 CO 0.19 -2.47 0.61 0.34 0.02 0.00 0.00 175.26 173.95 1k88 s ASP 130 N -4.40 6.25 -0.05 -0.19 3.68 -1.26 -4.89 116.67 115.82 1k88 s ASP 130 Ca 0.69 -1.75 0.08 0.00 2.13 0.00 0.00 52.55 53.69 1k88 s ASP 130 Cb -0.09 -2.25 0.31 0.00 -1.45 0.00 0.00 42.92 39.44 1k88 s ASP 130 CO 0.53 -0.93 1.14 1.41 0.13 0.00 0.00 175.17 177.45 1k88 n HIS 131 N 5.55 0.63 -0.34 -5.34 8.25 -1.26 -4.46 115.22 118.25 1k88 n HIS 131 Ca -0.09 -0.25 0.13 0.00 -0.26 0.00 0.00 57.72 57.25 1k88 n HIS 131 Cb 0.42 -0.13 0.33 0.00 1.12 0.00 0.00 29.99 31.73 1k88 n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1k88 h THR 132 N 1.76 0.74 -0.52 1.59 2.02 -1.91 -0.66 112.91 115.94 1k88 h THR 132 Ca 0.00 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1k88 h THR 132 Cb 0.74 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1k88 h THR 132 CO 0.10 0.14 0.08 -0.46 0.37 0.00 0.00 175.52 175.74 1k88 n ASN 133 N -4.71 4.66 -4.39 4.18 6.94 -1.26 -4.91 115.26 115.77 1k88 n ASN 133 Ca 0.22 -2.83 -0.30 0.00 -0.02 0.00 0.00 54.58 51.64 1k88 n ASN 133 Cb 0.55 -0.67 -0.14 0.00 -2.36 0.00 0.00 39.78 37.16 1k88 n ASN 133 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k88 s ALA 134 N -2.46 2.38 -0.04 -2.53 0.00 -0.26 -1.31 121.76 117.54 1k88 s ALA 134 Ca 0.44 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 1k88 s ALA 134 Cb 0.34 -0.59 -0.24 0.00 0.00 0.00 0.00 23.12 22.64 1k88 s ALA 134 CO 0.12 0.55 1.04 0.00 0.00 0.00 0.00 175.76 177.47 1k88 h ALA 135 N 4.76 0.04 -2.75 0.00 0.00 -0.39 -3.48 119.26 117.45 1k88 h ALA 135 Ca -0.47 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 53.91 1k88 h ALA 135 Cb 1.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1k88 h ALA 135 CO 0.45 0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.83 1k88 s PHE 137 N -5.00 -0.08 0.01 0.00 5.36 -0.84 -3.95 117.98 113.48 1k88 s PHE 137 Ca 0.05 0.28 0.06 0.00 -0.96 0.00 0.00 56.93 56.35 1k88 s PHE 137 Cb -0.00 -0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.60 1k88 s PHE 137 CO 0.03 -0.09 -0.17 0.00 -1.46 0.00 0.00 175.22 173.53 1k88 s ALA 138 N 0.61 1.45 -0.02 11.12 0.00 -0.17 -0.75 121.76 134.01 1k88 s ALA 138 Ca -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1k88 s ALA 138 Cb -0.07 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1k88 s ALA 138 CO -0.02 0.33 0.02 0.00 0.00 0.00 0.00 175.76 176.09 1k88 s ILE 140 N 0.82 1.62 -0.25 0.00 1.01 0.14 -1.09 121.20 123.44 1k88 s ILE 140 Ca -0.07 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1k88 s ILE 140 Cb -0.10 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1k88 s ILE 140 CO -0.02 0.46 0.01 -0.76 0.00 0.00 0.00 174.94 174.63 1k88 s LEU 141 N 1.00 3.34 -0.35 2.97 1.43 -0.39 -1.15 118.68 125.52 1k88 s LEU 141 Ca -0.06 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1k88 s LEU 141 Cb -0.15 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.37 1k88 s LEU 141 CO -0.02 -0.10 0.09 -0.76 0.23 0.00 0.00 176.35 175.78 1k88 s LEU 142 N 1.47 4.61 0.00 1.79 1.43 -0.44 -0.09 118.68 127.45 1k88 s LEU 142 Ca 0.04 -1.79 0.00 0.00 -1.03 0.00 0.00 54.13 51.34 1k88 s LEU 142 Cb -0.16 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1k88 s LEU 142 CO -0.01 -0.40 0.00 -0.24 0.23 0.00 0.00 176.35 175.93 1k88 n SER 143 N 4.51 0.00 -4.87 2.29 2.88 -0.98 -0.69 113.62 116.76 1k88 n SER 143 Ca -0.05 -0.59 -0.32 0.00 -1.33 0.00 0.00 58.87 56.58 1k88 n SER 143 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 1k88 n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1k88 s HIS 144 N -5.43 3.41 0.02 0.66 3.76 -1.26 -3.69 115.29 112.76 1k88 s HIS 144 Ca 0.00 1.03 -0.11 0.00 -0.15 0.00 0.00 55.06 55.82 1k88 s HIS 144 Cb 0.00 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.31 1k88 s HIS 144 CO 0.00 0.14 0.24 0.20 -0.85 0.00 0.00 174.74 174.47 1k88 s GLY 145 N -2.47 -0.05 0.05 -2.22 0.00 -0.76 -0.76 107.32 101.13 1k88 s GLY 145 Ca 0.51 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 45.24 1k88 s GLY 145 CO 0.21 -0.20 -0.09 -0.54 0.00 0.00 0.00 173.10 172.49 1k88 s GLU 146 N -1.94 0.61 -0.15 2.90 2.02 -0.67 -2.23 118.70 119.24 1k88 s GLU 146 Ca -0.10 -0.86 -0.14 0.00 0.02 0.00 0.00 54.97 53.89 1k88 s GLU 146 Cb -0.04 -0.36 -0.06 0.00 0.10 0.00 0.00 34.13 33.78 1k88 s GLU 146 CO -0.00 0.06 0.51 -0.85 0.02 0.00 0.00 175.26 175.00 1k88 n GLU 147 N 1.23 0.00 -0.88 1.61 0.28 -1.26 0.13 120.64 121.75 1k88 n GLU 147 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1k88 n GLU 147 Cb 0.55 -0.45 0.00 0.00 1.43 0.00 0.00 31.44 32.98 1k88 n GLU 147 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1k88 n ASN 148 N 1.38 -3.19 -4.10 -1.84 5.03 -1.26 -4.97 115.26 106.30 1k88 n ASN 148 Ca 0.11 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.46 1k88 n ASN 148 Cb -0.02 -2.22 -0.10 0.00 -1.02 0.00 0.00 39.78 36.42 1k88 n ASN 148 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1k88 s VAL 149 N -1.56 0.44 0.08 2.41 1.01 0.34 -2.96 120.40 120.16 1k88 s VAL 149 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 61.98 60.40 1k88 s VAL 149 Cb 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1k88 s VAL 149 CO 0.00 -0.80 -0.16 0.27 0.00 0.00 0.00 175.10 174.41 1k88 s ILE 150 N -3.13 1.32 0.02 2.22 -5.25 -0.73 -1.67 121.20 113.98 1k88 s ILE 150 Ca 0.04 -1.41 -0.15 0.00 -0.99 0.00 0.00 60.65 58.14 1k88 s ILE 150 Cb 0.02 -1.26 -0.06 0.00 2.95 0.00 0.00 42.46 44.12 1k88 s ILE 150 CO -0.05 -0.18 0.43 -0.31 -1.79 0.00 0.00 174.94 173.04 1k88 s TYR 151 N -1.29 3.72 0.10 1.37 1.51 0.06 -1.57 117.35 121.25 1k88 s TYR 151 Ca 0.01 1.01 0.02 0.00 -1.01 0.00 0.00 57.07 57.10 1k88 s TYR 151 Cb -0.10 -2.30 0.02 0.00 -0.11 0.00 0.00 41.96 39.46 1k88 s TYR 151 CO 0.03 0.62 0.13 0.41 -1.11 0.00 0.00 175.55 175.63 1k88 n GLY 152 N 1.67 1.90 0.14 0.71 0.00 -0.55 -4.61 105.19 104.45 1k88 n GLY 152 Ca -0.13 -2.14 0.03 0.00 0.00 0.00 0.00 46.02 43.78 1k88 n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1k88 h LYS 153 N 0.00 0.00 -0.01 1.61 2.10 -1.15 -3.31 116.57 115.82 1k88 h LYS 153 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1k88 h LYS 153 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1k88 h LYS 153 CO 0.06 0.43 -0.68 -0.40 -2.00 0.00 0.00 179.45 176.86 1k88 n ASP 154 N -3.16 1.24 0.00 7.07 5.75 -1.26 -0.79 116.55 125.39 1k88 n ASP 154 Ca 0.01 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 1k88 n ASP 154 Cb 0.73 0.63 0.00 0.00 -1.03 0.00 0.00 41.12 41.45 1k88 n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k88 n GLY 155 N 1.46 -0.91 3.03 6.12 0.00 -1.25 -4.91 105.19 108.73 1k88 n GLY 155 Ca 0.07 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1k88 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k88 s VAL 156 N -2.67 -0.03 0.07 1.61 0.11 -1.26 -1.48 120.40 116.75 1k88 s VAL 156 Ca 0.00 0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1k88 s VAL 156 Cb 0.00 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 1k88 s VAL 156 CO 0.00 0.05 -0.16 0.42 -3.33 0.00 0.00 175.10 172.08 1k88 s THR 157 N 0.96 1.29 -0.06 5.04 -4.23 -0.61 -4.97 115.64 113.07 1k88 s THR 157 Ca -0.07 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 1k88 s THR 157 Cb -0.08 -1.21 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 1k88 s THR 157 CO -0.06 -0.13 1.16 -2.16 -0.54 0.00 0.00 174.62 172.89 1k88 s PRO 158 N -1.69 4.37 0.45 3.99 0.04 -1.26 -1.78 135.00 139.12 1k88 s PRO 158 Ca 0.01 1.62 0.25 0.00 0.04 0.00 0.00 61.00 62.92 1k88 s PRO 158 Cb -0.10 -3.55 1.27 0.00 0.04 0.00 0.00 34.50 32.16 1k88 s PRO 158 CO 0.03 -0.42 1.77 0.82 0.04 0.00 0.00 177.00 179.24 1k88 h ILE 159 N 5.02 0.46 -0.11 0.56 2.04 -1.87 -0.83 117.51 122.78 1k88 h ILE 159 Ca -0.34 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1k88 h ILE 159 Cb 1.16 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1k88 h ILE 159 CO 0.87 0.04 -0.16 0.50 0.00 0.00 0.00 178.15 179.41 1k88 h LYS 160 N 0.25 0.17 -0.04 2.37 3.64 -1.83 -1.42 116.57 119.72 1k88 h LYS 160 Ca 0.60 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.70 1k88 h LYS 160 Cb 1.82 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.62 1k88 h LYS 160 CO -0.22 0.34 -0.93 -0.44 -2.27 0.00 0.00 179.45 175.93 1k88 h ASP 161 N 0.16 0.78 -0.70 4.20 3.32 -1.55 0.11 116.42 122.74 1k88 h ASP 161 Ca 0.03 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 1k88 h ASP 161 Cb 0.38 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1k88 h ASP 161 CO 0.02 1.38 0.38 -0.07 -1.72 0.00 0.00 179.24 179.24 1k88 h LEU 162 N 0.37 0.90 0.00 1.55 3.38 -1.24 -3.18 115.31 117.10 1k88 h LEU 162 Ca -0.09 -0.08 -0.28 0.00 0.09 0.00 0.00 57.88 57.52 1k88 h LEU 162 Cb 1.57 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1k88 h LEU 162 CO 0.18 0.73 -1.73 0.35 0.09 0.00 0.00 178.44 178.06 1k88 n THR 163 N -4.35 1.52 -0.29 0.22 -2.24 -0.60 -4.30 114.28 104.23 1k88 n THR 163 Ca 0.07 -0.78 0.18 0.00 -2.27 0.00 0.00 64.05 61.25 1k88 n THR 163 Cb 0.11 -0.93 0.46 0.00 -2.10 0.00 0.00 70.33 67.87 1k88 n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k88 h ALA 164 N 1.07 2.07 -1.19 6.98 0.00 -0.75 -1.95 119.26 125.49 1k88 h ALA 164 Ca -0.29 0.04 0.38 0.00 0.00 0.00 0.00 54.91 55.04 1k88 h ALA 164 Cb 1.97 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 19.60 1k88 h ALA 164 CO 0.07 -0.40 0.75 0.45 0.00 0.00 0.00 179.25 180.12 1k88 h HIS 165 N 0.51 0.63 -0.21 0.00 3.86 -1.75 0.11 115.15 118.30 1k88 h HIS 165 Ca 0.52 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1k88 h HIS 165 Cb 1.16 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1k88 h HIS 165 CO -0.00 -0.15 0.00 1.19 0.86 0.00 0.00 177.93 179.82 1k88 n PHE 166 N -4.76 0.27 -2.24 2.45 3.72 -0.73 -4.38 117.46 111.79 1k88 n PHE 166 Ca 0.34 -0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 57.20 1k88 n PHE 166 Cb 1.22 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.74 1k88 n PHE 166 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1k88 s ARG 167 N -1.73 4.40 0.10 -1.08 1.70 0.38 -4.71 118.95 118.02 1k88 s ARG 167 Ca 0.22 2.05 -0.14 0.00 -0.47 0.00 0.00 55.73 57.39 1k88 s ARG 167 Cb 0.11 -3.05 0.04 0.00 -0.57 0.00 0.00 34.95 31.48 1k88 s ARG 167 CO 0.16 -0.09 0.84 0.41 -1.08 0.00 0.00 175.30 175.55 1k88 n GLY 168 N 0.90 -1.29 0.34 3.88 0.00 -1.26 -0.02 105.19 107.73 1k88 n GLY 168 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1k88 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k88 n ALA 169 N -3.65 -0.06 -1.19 4.61 0.00 -1.26 -1.14 120.51 117.82 1k88 n ALA 169 Ca 0.03 0.90 -0.12 0.00 0.00 0.00 0.00 53.44 54.25 1k88 n ALA 169 Cb 0.18 -0.43 0.24 0.00 0.00 0.00 0.00 19.45 19.44 1k88 n ALA 169 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1k88 n ARG 170 N -5.33 2.77 -2.70 0.00 1.85 0.97 -4.59 116.66 109.63 1k88 n ARG 170 Ca 0.10 -3.06 -0.06 0.00 -1.00 0.00 0.00 57.85 53.82 1k88 n ARG 170 Cb 0.37 -2.11 0.09 0.00 -1.05 0.00 0.00 32.46 29.76 1k88 n ARG 170 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k88 h LYS 172 N 2.79 0.00 0.00 0.00 1.79 -1.78 -1.21 116.57 118.15 1k88 h LYS 172 Ca -0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1k88 h LYS 172 Cb 1.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1k88 h LYS 172 CO 0.07 0.00 0.00 2.41 -1.08 0.00 0.00 179.45 180.85 1k88 n THR 173 N -3.83 0.85 -1.08 -0.16 -1.04 -1.26 -2.67 114.28 105.09 1k88 n THR 173 Ca 0.11 0.23 0.09 0.00 -2.04 0.00 0.00 64.05 62.44 1k88 n THR 173 Cb 0.77 -1.14 0.19 0.00 -1.82 0.00 0.00 70.33 68.33 1k88 n THR 173 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k88 n LEU 174 N -2.15 3.00 -4.77 -4.42 4.77 -0.46 -4.05 117.00 108.92 1k88 n LEU 174 Ca 0.02 -3.13 -0.38 0.00 -0.03 0.00 0.00 56.01 52.50 1k88 n LEU 174 Cb 0.22 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1k88 n LEU 174 CO 0.19 0.75 0.83 -0.76 -1.33 0.00 0.00 177.39 177.07 1k88 s LEU 175 N -2.89 4.11 -1.98 2.23 1.43 -1.09 -2.37 118.68 118.12 1k88 s LEU 175 Ca 0.36 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1k88 s LEU 175 Cb 0.31 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1k88 s LEU 175 CO 0.05 -0.77 0.00 -0.62 0.23 0.00 0.00 176.35 175.23 1k88 n GLU 176 N -0.19 -1.51 -4.94 1.70 1.02 -1.26 -4.95 120.64 110.52 1k88 n GLU 176 Ca 0.06 1.11 -0.26 0.00 -0.02 0.00 0.00 57.16 58.04 1k88 n GLU 176 Cb 0.47 -5.54 -0.16 0.00 -0.02 0.00 0.00 31.44 26.20 1k88 n GLU 176 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1k88 s LYS 177 N -3.97 1.67 0.21 3.49 1.02 -1.00 -4.94 119.74 116.22 1k88 s LYS 177 Ca 0.00 -0.69 -0.31 0.00 0.02 0.00 0.00 55.97 55.00 1k88 s LYS 177 Cb 0.00 -1.56 -0.10 0.00 -0.52 0.00 0.00 37.83 35.65 1k88 s LYS 177 CO 0.00 0.38 1.47 -1.25 -0.92 0.00 0.00 175.35 175.03 1k88 s PRO 178 N -0.35 4.26 -0.32 -1.68 0.04 -1.26 -4.82 135.00 130.87 1k88 s PRO 178 Ca 0.05 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.41 1k88 s PRO 178 Cb -0.09 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.40 1k88 s PRO 178 CO 0.00 -0.47 0.02 0.15 0.04 0.00 0.00 177.00 176.74 1k88 s LYS 179 N 0.22 1.75 -0.20 4.56 1.02 0.08 -1.98 119.74 125.19 1k88 s LYS 179 Ca 0.63 -1.72 -0.14 0.00 0.02 0.00 0.00 55.97 54.76 1k88 s LYS 179 Cb -0.42 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 1k88 s LYS 179 CO 0.38 -0.84 0.32 -0.51 -0.92 0.00 0.00 175.35 173.78 1k88 s LEU 180 N 0.98 4.16 -0.20 3.17 1.02 0.07 -1.56 118.68 126.34 1k88 s LEU 180 Ca 0.05 0.41 0.01 0.00 0.02 0.00 0.00 54.13 54.62 1k88 s LEU 180 Cb -0.20 -2.38 0.03 0.00 0.02 0.00 0.00 46.19 43.67 1k88 s LEU 180 CO -0.07 -0.00 -0.16 -0.36 0.02 0.00 0.00 176.35 175.78 1k88 s PHE 181 N 1.07 2.72 -0.33 0.29 0.40 0.05 -0.68 117.98 121.50 1k88 s PHE 181 Ca 0.16 -1.71 -0.06 0.00 -0.60 0.00 0.00 56.93 54.71 1k88 s PHE 181 Cb -0.14 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.60 1k88 s PHE 181 CO 0.06 -0.79 0.10 -0.06 0.70 0.00 0.00 175.22 175.23 1k88 s PHE 182 N 1.30 3.24 -0.17 0.36 0.40 -0.25 -0.75 117.98 122.12 1k88 s PHE 182 Ca 0.01 -1.38 -0.05 0.00 -0.60 0.00 0.00 56.93 54.91 1k88 s PHE 182 Cb -0.15 -2.27 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1k88 s PHE 182 CO -0.10 -0.71 -0.01 0.42 0.70 0.00 0.00 175.22 175.52 1k88 s ILE 183 N 1.41 4.15 -0.67 0.64 1.09 0.24 -1.26 121.20 126.80 1k88 s ILE 183 Ca -0.01 -0.26 0.05 0.00 -1.10 0.00 0.00 60.65 59.32 1k88 s ILE 183 Cb -0.19 -2.84 0.19 0.00 -1.06 0.00 0.00 42.46 38.56 1k88 s ILE 183 CO 0.03 0.48 0.53 1.67 -0.10 0.00 0.00 174.94 177.55 1k88 n GLN 184 N 3.56 1.83 -1.92 2.79 -0.06 0.87 -1.05 117.38 123.41 1k88 n GLN 184 Ca -0.17 -4.41 -0.07 0.00 -2.00 0.00 0.00 57.00 50.35 1k88 n GLN 184 Cb 0.52 -2.22 0.01 0.00 -4.06 0.00 0.00 30.24 24.49 1k88 n GLN 184 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1k88 n ALA 185 N 1.80 0.30 0.00 1.69 0.00 -1.25 -2.33 120.51 120.72 1k88 n ALA 185 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1k88 n ALA 185 Cb 0.37 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1k88 n ALA 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k88 n ALA 186 N -2.72 0.00 -0.57 0.00 0.00 -1.24 -3.00 120.51 112.98 1k88 n ALA 186 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1k88 n ALA 186 Cb 0.18 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.85 1k88 n ALA 186 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1k88 n ARG 187 N -0.16 -1.76 -0.44 0.00 0.63 -0.95 -1.82 116.66 112.16 1k88 n ARG 187 Ca 0.00 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 1k88 n ARG 187 Cb 0.00 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 30.77 1k88 n ARG 187 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k88 n GLY 188 N 1.00 1.42 0.10 5.14 0.00 -1.26 -4.83 105.19 106.76 1k88 n GLY 188 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1k88 n GLY 188 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k88 n THR 189 N 0.00 0.00 -0.95 2.61 -2.24 -1.26 -5.07 114.28 107.37 1k88 n THR 189 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k88 n THR 189 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1k88 n THR 189 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k88 n ASP 204 N 0.05 -2.77 -2.23 3.42 2.03 -1.26 -4.68 116.55 111.10 1k88 n ASP 204 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k88 n ASP 204 Cb 0.00 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 1k88 n ASP 204 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1k88 n THR 205 N -2.48 0.00 -2.03 5.18 5.66 -1.26 -5.11 114.28 114.24 1k88 n THR 205 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1k88 n THR 205 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1k88 n THR 205 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1k88 n ASP 206 N 0.00 0.53 -4.81 1.09 8.00 -1.26 -5.11 116.55 115.00 1k88 n ASP 206 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1k88 n ASP 206 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1k88 n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k88 s ALA 207 N -2.24 3.83 -0.14 2.24 0.00 -1.26 -5.09 121.76 119.11 1k88 s ALA 207 Ca 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 51.96 49.94 1k88 s ALA 207 Cb 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 1k88 s ALA 207 CO 0.00 -0.20 -0.15 0.09 0.00 0.00 0.00 175.76 175.50 1k88 n ASN 208 N -1.40 1.99 -4.48 0.00 3.02 -1.26 -4.90 115.26 108.22 1k88 n ASN 208 Ca 0.01 0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1k88 n ASN 208 Cb 0.63 -0.32 -0.19 0.00 -0.61 0.00 0.00 39.78 39.30 1k88 n ASN 208 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1k88 n PRO 209 N -3.26 0.09 0.00 3.52 -0.02 -1.26 -4.58 135.00 129.49 1k88 n PRO 209 Ca -0.26 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 1k88 n PRO 209 Cb 0.73 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 1k88 n PRO 209 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k88 n ARG 210 N 6.00 0.00 0.14 -0.52 1.74 -1.26 -3.86 116.66 118.90 1k88 n ARG 210 Ca 0.61 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.88 1k88 n ARG 210 Cb 0.21 -0.82 0.77 0.00 -1.02 0.00 0.00 32.46 31.59 1k88 n ARG 210 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1k88 h TYR 211 N 0.28 0.00 -1.31 -1.55 -1.99 -2.00 0.13 116.97 110.53 1k88 h TYR 211 Ca 0.00 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.07 1k88 h TYR 211 Cb 0.00 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 38.56 1k88 h TYR 211 CO 0.00 0.00 1.37 1.17 -0.00 0.00 0.00 178.16 180.70 1k88 n LYS 212 N -3.63 3.69 -3.65 4.88 3.00 -1.25 -4.72 118.16 116.48 1k88 n LYS 212 Ca 0.05 -3.17 -0.01 0.00 -0.00 0.00 0.00 58.31 55.19 1k88 n LYS 212 Cb 0.54 -2.40 -0.07 0.00 0.00 0.00 0.00 35.03 33.11 1k88 n LYS 212 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1k88 s ILE 213 N -2.25 0.00 -1.07 3.15 1.01 0.46 -4.35 121.20 118.16 1k88 s ILE 213 Ca 0.54 0.00 -0.24 0.00 0.00 0.00 0.00 60.65 60.96 1k88 s ILE 213 Cb 0.28 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.68 1k88 s ILE 213 CO -0.18 0.00 1.96 -2.16 0.00 0.00 0.00 174.94 174.56 1k88 s PRO 214 N 0.59 2.45 -0.64 2.79 0.04 -1.26 -4.88 135.00 134.09 1k88 s PRO 214 Ca -0.01 -0.78 -0.26 0.00 0.04 0.00 0.00 61.00 59.99 1k88 s PRO 214 Cb -0.04 -5.16 -0.12 0.00 0.04 0.00 0.00 34.50 29.23 1k88 s PRO 214 CO -0.12 -3.82 2.46 0.28 0.04 0.00 0.00 177.00 175.84 1k88 n VAL 215 N 7.89 -0.06 -3.69 -0.36 0.31 -1.26 -4.83 118.33 116.33 1k88 n VAL 215 Ca 0.43 -0.61 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 1k88 n VAL 215 Cb 0.47 -2.19 -0.06 0.00 -0.91 0.00 0.00 33.84 31.15 1k88 n VAL 215 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1k88 s GLU 216 N 8.46 0.95 0.61 5.55 2.12 -1.26 -5.15 118.70 129.99 1k88 s GLU 216 Ca 1.05 -0.61 -0.19 0.00 0.36 0.00 0.00 54.97 55.58 1k88 s GLU 216 Cb -0.38 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.40 1k88 s GLU 216 CO 0.29 -0.34 1.32 0.00 -0.54 0.00 0.00 175.26 175.98 1k88 s ALA 217 N -3.23 2.53 -1.14 6.30 0.00 -1.26 -3.48 121.76 121.47 1k88 s ALA 217 Ca -0.00 1.26 -0.00 0.00 0.00 0.00 0.00 51.96 53.21 1k88 s ALA 217 Cb 0.01 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1k88 s ALA 217 CO -0.08 -1.52 0.01 -0.25 0.00 0.00 0.00 175.76 173.92 1k88 n ASP 218 N -1.61 -4.17 -4.47 0.00 8.00 -0.35 -4.91 116.55 109.04 1k88 n ASP 218 Ca 0.14 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 1k88 n ASP 218 Cb 0.47 -3.35 -0.12 0.00 -0.02 0.00 0.00 41.12 38.10 1k88 n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1k88 s PHE 219 N -2.68 2.57 -0.13 1.24 0.08 -1.23 -0.74 117.98 117.09 1k88 s PHE 219 Ca 0.01 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 56.75 1k88 s PHE 219 Cb -0.00 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 41.07 1k88 s PHE 219 CO 0.01 0.30 0.29 -1.17 -0.10 0.00 0.00 175.22 174.54 1k88 s LEU 220 N -1.64 -0.09 -0.07 -0.37 0.20 -0.60 -1.14 118.68 114.98 1k88 s LEU 220 Ca 0.16 0.65 0.04 0.00 0.69 0.00 0.00 54.13 55.66 1k88 s LEU 220 Cb -0.11 0.85 -0.02 0.00 -0.43 0.00 0.00 46.19 46.49 1k88 s LEU 220 CO 0.07 -0.21 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.38 1k88 s PHE 221 N 1.96 2.64 -0.39 5.38 0.08 0.32 -0.77 117.98 127.20 1k88 s PHE 221 Ca -0.04 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.57 1k88 s PHE 221 Cb -0.11 -1.67 0.11 0.00 -0.57 0.00 0.00 43.02 40.78 1k88 s PHE 221 CO -0.09 -0.05 0.14 0.00 -0.10 0.00 0.00 175.22 175.11 1k88 s ALA 222 N -0.27 2.51 -0.18 5.36 0.00 0.07 -0.19 121.76 129.06 1k88 s ALA 222 Ca 0.01 -2.49 -0.15 0.00 0.00 0.00 0.00 51.96 49.33 1k88 s ALA 222 Cb -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 1k88 s ALA 222 CO 0.03 -1.82 0.34 -0.47 0.00 0.00 0.00 175.76 173.84 1k88 s TYR 223 N 0.73 3.42 0.00 0.00 6.14 -0.66 -0.59 117.35 126.39 1k88 s TYR 223 Ca 0.13 0.60 0.00 0.00 0.64 0.00 0.00 57.07 58.44 1k88 s TYR 223 Cb -0.21 -2.43 0.00 0.00 0.42 0.00 0.00 41.96 39.74 1k88 s TYR 223 CO -0.09 0.12 0.00 0.45 0.64 0.00 0.00 175.55 176.67 1k88 n SER 224 N 4.00 0.00 0.00 4.32 2.88 -0.22 -0.24 113.62 124.37 1k88 n SER 224 Ca -0.10 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1k88 n SER 224 Cb 0.52 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1k88 n SER 224 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1k88 n THR 225 N -1.00 0.00 -2.00 2.46 -1.04 -1.16 -4.43 114.28 107.11 1k88 n THR 225 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1k88 n THR 225 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1k88 n THR 225 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1k88 s VAL 226 N -1.38 3.04 0.50 12.58 1.01 -1.26 -4.49 120.40 130.39 1k88 s VAL 226 Ca 0.00 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1k88 s VAL 226 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 1k88 s VAL 226 CO 0.00 0.02 1.00 -2.84 0.00 0.00 0.00 175.10 173.28 1k88 s PRO 227 N 1.96 3.87 -0.11 2.72 0.02 -1.26 -4.88 135.00 137.31 1k88 s PRO 227 Ca 0.70 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.86 1k88 s PRO 227 Cb -0.39 -2.12 0.12 0.00 0.02 0.00 0.00 34.50 32.13 1k88 s PRO 227 CO 0.31 -0.35 1.50 0.41 -0.33 0.00 0.00 177.00 178.54 1k88 n GLY 228 N -0.92 2.78 0.00 0.52 0.00 -1.26 -4.77 105.19 101.54 1k88 n GLY 228 Ca 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1k88 n GLY 228 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k88 n TYR 229 N 0.47 0.00 -2.83 1.61 4.02 -1.26 -4.63 117.16 114.54 1k88 n TYR 229 Ca 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.97 1k88 n TYR 229 Cb 0.67 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 40.00 1k88 n TYR 229 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1k88 n TYR 230 N 0.00 -2.96 0.00 -0.72 4.01 -1.26 -5.13 117.16 111.10 1k88 n TYR 230 Ca 0.00 -0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1k88 n TYR 230 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1k88 n TYR 230 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1k88 n SER 231 N -2.89 0.00 0.00 7.72 2.88 -1.26 -4.84 113.62 115.23 1k88 n SER 231 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1k88 n SER 231 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1k88 n SER 231 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1k88 n TRP 232 N 0.00 0.00 0.00 0.66 7.02 -1.26 -5.05 117.44 118.81 1k88 n TRP 232 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1k88 n TRP 232 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1k88 n TRP 232 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 1k88 n ARG 233 N -0.18 0.00 -1.95 -0.99 1.85 -1.26 -4.97 116.66 109.16 1k88 n ARG 233 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 1k88 n ARG 233 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1k88 n ARG 233 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1k88 n SER 234 N 0.00 -2.41 -0.39 2.89 7.64 -1.26 -4.50 113.62 115.59 1k88 n SER 234 Ca 0.00 0.75 0.01 0.00 1.01 0.00 0.00 58.87 60.65 1k88 n SER 234 Cb 0.00 -3.15 0.05 0.00 -1.01 0.00 0.00 64.21 60.10 1k88 n SER 234 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1k88 n PRO 235 N 0.88 1.37 0.00 1.43 -0.02 -1.26 -5.03 135.00 132.37 1k88 n PRO 235 Ca -0.16 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 1k88 n PRO 235 Cb 0.25 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1k88 n PRO 235 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k88 n GLY 236 N 0.44 -1.03 0.10 -1.23 0.00 -1.26 -4.35 105.19 97.85 1k88 n GLY 236 Ca 0.04 -1.62 -0.19 0.00 0.00 0.00 0.00 46.02 44.25 1k88 n GLY 236 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k88 h ARG 237 N 0.00 0.11 0.00 1.61 2.47 -1.90 -3.49 114.38 113.17 1k88 h ARG 237 Ca 0.00 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1k88 h ARG 237 Cb 0.00 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1k88 h ARG 237 CO 0.00 1.09 0.00 0.41 0.56 0.00 0.00 179.97 182.03 1k88 n GLY 238 N 1.61 2.68 3.77 0.04 0.00 -1.26 -4.96 105.19 107.06 1k88 n GLY 238 Ca -0.19 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1k88 n GLY 238 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k88 s SER 239 N 0.00 6.28 0.03 1.61 0.15 -1.26 -4.92 113.70 115.59 1k88 s SER 239 Ca 0.00 2.62 -0.26 0.00 0.70 0.00 0.00 55.95 59.01 1k88 s SER 239 Cb 0.00 -2.63 -0.15 0.00 -1.71 0.00 0.00 66.02 61.53 1k88 s SER 239 CO 0.00 -0.87 1.29 -0.50 1.20 0.00 0.00 173.24 174.36 1k88 h TRP 240 N 2.60 -0.88 -0.65 3.44 6.55 -1.91 -1.40 115.95 123.70 1k88 h TRP 240 Ca -0.50 -0.02 0.10 0.00 0.95 0.00 0.00 58.89 59.43 1k88 h TRP 240 Cb 1.25 0.29 -0.12 0.00 -0.86 0.00 0.00 29.16 29.72 1k88 h TRP 240 CO 0.53 -0.55 -0.39 0.35 -1.05 0.00 0.00 178.44 177.33 1k88 h PHE 241 N -1.04 -1.11 -0.58 0.49 3.57 -1.93 0.22 116.94 116.56 1k88 h PHE 241 Ca -0.10 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1k88 h PHE 241 Cb 0.73 0.58 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 1k88 h PHE 241 CO 0.05 -0.40 0.30 0.28 -2.23 0.00 0.00 178.31 176.31 1k88 h VAL 242 N -0.16 0.95 -0.15 1.41 2.07 -1.96 0.40 116.25 118.81 1k88 h VAL 242 Ca 0.22 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.40 1k88 h VAL 242 Cb 0.56 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1k88 h VAL 242 CO -0.73 0.10 -0.53 -0.61 0.02 0.00 0.00 177.57 175.82 1k88 h GLN 243 N 0.57 0.43 0.43 1.57 5.75 -0.16 -1.79 115.11 121.91 1k88 h GLN 243 Ca 0.26 -0.26 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1k88 h GLN 243 Cb 0.17 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1k88 h GLN 243 CO -0.18 0.85 -0.21 0.00 -2.65 0.00 0.00 178.83 176.65 1k88 h ALA 244 N 1.10 -0.58 -0.50 3.38 0.00 -0.14 0.42 119.26 122.94 1k88 h ALA 244 Ca 0.01 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1k88 h ALA 244 Cb 1.04 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1k88 h ALA 244 CO 0.09 -0.78 -0.54 1.25 0.00 0.00 0.00 179.25 179.27 1k88 h LEU 245 N -0.67 -1.83 -0.34 0.00 5.85 -0.80 -0.40 115.31 117.12 1k88 h LEU 245 Ca -0.06 0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1k88 h LEU 245 Cb 0.49 0.77 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 1k88 h LEU 245 CO 0.10 -0.37 0.12 0.00 -0.34 0.00 0.00 178.44 177.95 1k88 h SER 247 N 0.27 -1.19 -0.71 0.00 0.87 -0.00 0.20 113.55 112.99 1k88 h SER 247 Ca 0.15 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1k88 h SER 247 Cb 0.12 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1k88 h SER 247 CO -0.15 -0.54 0.46 0.40 -0.53 0.00 0.00 176.83 176.46 1k88 h ILE 248 N -0.78 1.15 0.00 2.23 1.08 -0.98 -2.04 117.51 118.17 1k88 h ILE 248 Ca -0.02 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1k88 h ILE 248 Cb 0.73 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1k88 h ILE 248 CO -0.14 0.17 -0.02 0.25 -0.69 0.00 0.00 178.15 177.72 1k88 h LEU 249 N 0.93 0.00 0.00 1.44 5.85 -0.15 0.43 115.31 123.80 1k88 h LEU 249 Ca 0.27 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 1k88 h LEU 249 Cb -0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1k88 h LEU 249 CO -0.07 0.02 -0.56 -0.33 -0.34 0.00 0.00 178.44 177.16 1k88 h GLU 250 N 0.00 0.00 -0.59 1.25 4.39 -0.32 -1.35 114.58 117.96 1k88 h GLU 250 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k88 h GLU 250 Cb 0.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1k88 h GLU 250 CO 0.00 0.53 0.35 0.93 -1.16 0.00 0.00 179.01 179.67 1k88 h GLU 251 N -1.00 0.79 0.00 2.33 5.08 -1.21 -3.30 114.58 117.27 1k88 h GLU 251 Ca -0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1k88 h GLU 251 Cb 0.78 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1k88 h GLU 251 CO -0.07 0.56 0.00 0.72 -1.00 0.00 0.00 179.01 179.22 1k88 n HIS 252 N -4.41 0.00 -0.34 4.33 8.25 0.15 -4.82 115.22 118.37 1k88 n HIS 252 Ca 0.06 -0.23 0.31 0.00 -0.26 0.00 0.00 57.72 57.60 1k88 n HIS 252 Cb 0.07 -0.02 0.65 0.00 1.12 0.00 0.00 29.99 31.81 1k88 n HIS 252 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1k88 h GLY 253 N 0.00 0.61 -2.50 -1.41 0.00 -1.23 -0.61 103.07 97.93 1k88 h GLY 253 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1k88 h GLY 253 CO 0.00 -0.09 0.00 0.28 0.00 0.00 0.00 176.54 176.73 1k88 n LYS 254 N -4.40 2.61 0.00 4.80 4.01 -1.26 -4.30 118.16 119.62 1k88 n LYS 254 Ca 0.27 -2.47 0.00 0.00 -0.51 0.00 0.00 58.31 55.60 1k88 n LYS 254 Cb 1.13 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 34.11 1k88 n LYS 254 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1k88 n ASP 255 N 1.58 1.22 -4.88 4.39 8.00 -0.29 -4.60 116.55 121.97 1k88 n ASP 255 Ca 0.22 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.42 1k88 n ASP 255 Cb 0.62 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.72 1k88 n ASP 255 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1k88 s LEU 256 N -5.59 3.39 0.25 0.64 1.43 -0.86 -5.05 118.68 112.90 1k88 s LEU 256 Ca 0.00 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.20 1k88 s LEU 256 Cb 0.00 -4.23 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 1k88 s LEU 256 CO 0.00 -0.76 0.62 -0.70 0.23 0.00 0.00 176.35 175.74 1k88 s GLU 257 N -5.01 3.91 0.28 1.70 -6.30 -1.26 -4.67 118.70 107.34 1k88 s GLU 257 Ca 0.52 0.45 0.02 0.00 -2.50 0.00 0.00 54.97 53.46 1k88 s GLU 257 Cb -0.11 -2.61 0.65 0.00 0.00 0.00 0.00 34.13 32.06 1k88 s GLU 257 CO 0.50 0.28 1.71 -0.84 0.02 0.00 0.00 175.26 176.94 1k88 h ILE 258 N 2.11 0.54 0.00 -3.70 -0.00 -1.75 0.51 117.51 115.22 1k88 h ILE 258 Ca -0.47 -0.15 -0.02 0.00 -0.00 0.00 0.00 64.86 64.22 1k88 h ILE 258 Cb 1.17 0.06 -0.00 0.00 -0.00 0.00 0.00 36.82 38.05 1k88 h ILE 258 CO 0.67 0.08 -0.08 0.24 -0.00 0.00 0.00 178.15 179.07 1k88 h MET 259 N 0.44 0.00 0.16 0.16 2.86 -1.94 0.42 114.93 117.03 1k88 h MET 259 Ca 0.52 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.15 1k88 h MET 259 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 1k88 h MET 259 CO -0.49 0.08 -0.08 1.96 1.06 0.00 0.00 176.91 179.44 1k88 h GLN 260 N 0.00 -0.21 -0.13 1.72 4.20 -0.42 -1.10 115.11 119.17 1k88 h GLN 260 Ca -0.00 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1k88 h GLN 260 Cb 0.15 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1k88 h GLN 260 CO 0.01 0.22 -0.37 0.82 -0.67 0.00 0.00 178.83 178.83 1k88 h ILE 261 N -0.78 0.00 -0.23 2.54 1.08 -0.09 -1.27 117.51 118.76 1k88 h ILE 261 Ca -0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1k88 h ILE 261 Cb 0.52 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1k88 h ILE 261 CO 0.04 0.00 0.15 -0.07 -0.69 0.00 0.00 178.15 177.58 1k88 h LEU 262 N -0.37 0.15 -0.55 1.44 3.38 -0.29 -0.47 115.31 118.59 1k88 h LEU 262 Ca 0.03 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1k88 h LEU 262 Cb 0.45 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1k88 h LEU 262 CO -0.32 0.11 -0.47 0.74 0.09 0.00 0.00 178.44 178.59 1k88 h THR 263 N 0.18 1.30 -0.47 0.22 2.02 -0.69 0.86 112.91 116.33 1k88 h THR 263 Ca 0.10 -1.67 -0.07 0.00 0.77 0.00 0.00 66.41 65.53 1k88 h THR 263 Cb 0.16 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1k88 h THR 263 CO -0.02 0.53 0.00 0.03 0.37 0.00 0.00 175.52 176.44 1k88 h ARG 264 N 0.50 0.78 0.52 6.66 -0.00 -0.09 -2.40 114.38 120.35 1k88 h ARG 264 Ca 0.03 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.98 59.27 1k88 h ARG 264 Cb 1.01 -0.09 0.01 0.00 0.00 0.00 0.00 29.97 30.89 1k88 h ARG 264 CO 0.09 0.79 -0.25 0.28 0.00 0.00 0.00 179.97 180.88 1k88 h VAL 265 N 0.73 0.45 -0.83 2.04 2.07 -0.45 -1.25 116.25 119.01 1k88 h VAL 265 Ca 0.14 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.57 1k88 h VAL 265 Cb 0.44 0.54 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1k88 h VAL 265 CO 0.02 0.03 -0.41 0.78 0.02 0.00 0.00 177.57 178.01 1k88 h ASN 266 N -0.84 -1.49 -0.37 0.57 2.35 -0.66 -0.06 115.58 115.08 1k88 h ASN 266 Ca -0.07 0.28 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1k88 h ASN 266 Cb 0.60 0.73 -0.06 0.00 0.05 0.00 0.00 38.32 39.64 1k88 h ASN 266 CO 0.12 -0.30 0.01 -0.78 -1.65 0.00 0.00 177.43 174.83 1k88 h ASP 267 N -0.08 -0.14 -0.83 5.81 3.58 -1.29 -0.34 116.42 123.13 1k88 h ASP 267 Ca 0.26 0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.83 1k88 h ASP 267 Cb 0.56 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.70 1k88 h ASP 267 CO -0.86 -0.03 0.53 -0.09 -2.88 0.00 0.00 179.24 175.91 1k88 h ARG 268 N 0.11 1.00 -0.03 0.28 2.43 0.21 0.13 114.38 118.50 1k88 h ARG 268 Ca 0.18 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.08 1k88 h ARG 268 Cb 0.25 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1k88 h ARG 268 CO -0.30 0.66 -0.86 -0.39 -1.51 0.00 0.00 179.97 177.58 1k88 h VAL 269 N 1.03 1.40 -0.40 0.20 -1.51 -1.10 -2.87 116.25 113.00 1k88 h VAL 269 Ca 0.34 -2.35 -0.01 0.00 -1.23 0.00 0.00 66.70 63.45 1k88 h VAL 269 Cb 0.02 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 31.47 1k88 h VAL 269 CO -0.12 0.70 0.21 0.00 -1.23 0.00 0.00 177.57 177.13 1k88 h ALA 270 N 0.82 1.63 0.00 5.19 0.00 -0.33 -1.16 119.26 125.41 1k88 h ALA 270 Ca -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1k88 h ALA 270 Cb 1.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1k88 h ALA 270 CO 0.15 0.31 -0.46 0.00 0.00 0.00 0.00 179.25 179.25 1k88 h ARG 271 N 0.55 0.00 -0.13 0.00 3.08 -0.64 -2.96 114.38 114.28 1k88 h ARG 271 Ca 0.14 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.23 1k88 h ARG 271 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1k88 h ARG 271 CO -0.02 0.46 0.17 0.45 -1.07 0.00 0.00 179.97 179.96 1k88 h HIS 272 N 0.00 0.00 -0.82 3.04 3.86 -0.99 0.15 115.15 120.39 1k88 h HIS 272 Ca -0.00 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.75 1k88 h HIS 272 Cb 1.07 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.36 1k88 h HIS 272 CO 0.00 0.00 0.51 1.19 0.86 0.00 0.00 177.93 180.49 1k88 n PHE 273 N -3.63 1.89 -0.51 2.45 3.01 -1.12 -4.91 117.46 114.63 1k88 n PHE 273 Ca 0.00 -2.14 0.00 0.00 1.01 0.00 0.00 57.45 56.33 1k88 n PHE 273 Cb 0.28 -1.18 0.00 0.00 -0.01 0.00 0.00 39.48 38.57 1k88 n PHE 273 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1k88 n GLU 274 N 0.28 0.00 0.00 -1.08 4.71 0.53 -4.32 120.64 120.77 1k88 n GLU 274 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.57 1k88 n GLU 274 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.99 1k88 n GLU 274 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1k88 n SER 275 N 0.14 0.00 -3.20 1.62 3.41 -1.26 -3.00 113.62 111.33 1k88 n SER 275 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1k88 n SER 275 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1k88 n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k88 n GLN 276 N 14.00 4.14 -1.75 4.33 3.00 -1.26 -5.05 117.38 134.79 1k88 n GLN 276 Ca 0.00 -4.70 -0.42 0.00 -0.01 0.00 0.00 57.00 51.87 1k88 n GLN 276 Cb 0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 30.24 27.87 1k88 n GLN 276 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1k88 s SER 277 N -2.50 6.42 0.00 1.08 0.15 -1.16 -4.90 113.70 112.79 1k88 s SER 277 Ca 0.45 2.80 0.29 0.00 0.70 0.00 0.00 55.95 60.19 1k88 s SER 277 Cb 0.26 -2.59 1.31 0.00 -1.71 0.00 0.00 66.02 63.29 1k88 s SER 277 CO -0.15 -0.97 1.96 0.47 1.20 0.00 0.00 173.24 175.75 1k88 n ASP 278 N 4.61 0.00 -4.73 5.45 8.00 -1.26 -4.31 116.55 124.31 1k88 n ASP 278 Ca 0.16 0.33 -0.42 0.00 0.71 0.00 0.00 54.79 55.58 1k88 n ASP 278 Cb 0.37 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1k88 n ASP 278 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k88 s ASP 279 N -2.89 6.59 0.00 -2.24 -1.08 -1.26 -4.86 116.67 110.94 1k88 s ASP 279 Ca 0.18 2.64 0.00 0.00 -0.52 0.00 0.00 52.55 54.85 1k88 s ASP 279 Cb 0.19 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1k88 s ASP 279 CO 0.51 -0.80 0.28 -2.65 0.52 0.00 0.00 175.17 173.04 1k88 n PRO 280 N 3.48 0.32 -0.03 4.34 -0.02 -1.26 -1.70 135.00 140.13 1k88 n PRO 280 Ca 0.12 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1k88 n PRO 280 Cb 0.39 -1.04 -0.09 0.00 -0.02 0.00 0.00 33.50 32.74 1k88 n PRO 280 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1k88 n HIS 281 N -0.31 0.00 0.30 6.00 8.25 -1.26 -4.60 115.22 123.60 1k88 n HIS 281 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1k88 n HIS 281 Cb 0.02 -0.40 0.04 0.00 1.12 0.00 0.00 29.99 30.77 1k88 n HIS 281 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1k88 n PHE 282 N -2.13 0.02 -2.34 4.41 3.72 -0.69 -4.98 117.46 115.45 1k88 n PHE 282 Ca -0.09 -0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 56.86 1k88 n PHE 282 Cb 0.55 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1k88 n PHE 282 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1k88 s HIS 283 N -0.66 2.64 0.08 1.38 2.46 -1.02 -4.82 115.29 115.35 1k88 s HIS 283 Ca 0.09 0.83 -0.13 0.00 0.47 0.00 0.00 55.06 56.33 1k88 s HIS 283 Cb 0.07 -3.68 0.05 0.00 -0.13 0.00 0.00 32.58 28.88 1k88 s HIS 283 CO 0.10 -2.09 0.63 0.39 -2.47 0.00 0.00 174.74 171.30 1k88 n GLU 284 N 6.91 0.32 -2.11 2.88 1.02 -1.26 -5.04 120.64 123.37 1k88 n GLU 284 Ca 0.15 -0.78 -0.35 0.00 -0.02 0.00 0.00 57.16 56.16 1k88 n GLU 284 Cb 0.45 1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 32.91 1k88 n GLU 284 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1k88 s LYS 285 N -2.03 2.70 0.26 3.49 -0.14 -1.26 -4.96 119.74 117.80 1k88 s LYS 285 Ca 0.14 0.17 -0.30 0.00 -1.36 0.00 0.00 55.97 54.63 1k88 s LYS 285 Cb -0.01 -4.62 -0.10 0.00 -1.68 0.00 0.00 37.83 31.41 1k88 s LYS 285 CO 0.02 -2.85 1.40 0.15 -0.76 0.00 0.00 175.35 173.31 1k88 s LYS 286 N 6.82 4.30 0.09 1.68 -0.14 -1.26 -5.02 119.74 126.20 1k88 s LYS 286 Ca 0.64 2.26 -0.06 0.00 -1.36 0.00 0.00 55.97 57.45 1k88 s LYS 286 Cb -0.10 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.92 1k88 s LYS 286 CO 0.12 -0.36 0.12 -0.65 -0.76 0.00 0.00 175.35 173.82 1k88 s GLN 287 N -0.61 0.80 -0.04 1.68 -0.21 -1.26 -4.84 119.66 115.19 1k88 s GLN 287 Ca 0.57 -1.10 -0.18 0.00 0.02 0.00 0.00 55.36 54.66 1k88 s GLN 287 Cb -0.41 0.29 0.04 0.00 1.00 0.00 0.00 33.01 33.93 1k88 s GLN 287 CO 0.45 -0.23 0.40 -1.50 -2.12 0.00 0.00 175.29 172.29 1k88 s ILE 288 N -3.91 0.04 0.91 1.08 2.07 -1.26 -4.67 121.20 115.46 1k88 s ILE 288 Ca 0.08 -0.33 -0.11 0.00 -1.41 0.00 0.00 60.65 58.89 1k88 s ILE 288 Cb 0.06 -0.70 0.14 0.00 0.13 0.00 0.00 42.46 42.09 1k88 s ILE 288 CO -0.09 -0.18 1.10 -2.84 -1.91 0.00 0.00 174.94 171.03 1k88 s PRO 289 N -1.16 1.08 -0.18 3.50 0.02 -1.26 -4.89 135.00 132.10 1k88 s PRO 289 Ca -0.12 1.19 0.01 0.00 0.02 0.00 0.00 61.00 62.10 1k88 s PRO 289 Cb -0.04 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.74 1k88 s PRO 289 CO 0.05 -2.47 -0.19 0.00 -0.33 0.00 0.00 177.00 174.06 1k88 s VAL 291 N 1.26 4.33 -0.22 0.00 1.01 -1.26 -1.65 120.40 123.86 1k88 s VAL 291 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1k88 s VAL 291 Cb -0.13 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1k88 s VAL 291 CO -0.11 0.38 -0.08 -0.69 0.00 0.00 0.00 175.10 174.60 1k88 s VAL 292 N 1.23 2.91 -0.04 2.92 1.01 0.73 -4.99 120.40 124.17 1k88 s VAL 292 Ca 0.04 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1k88 s VAL 292 Cb -0.14 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1k88 s VAL 292 CO 0.03 0.37 -0.21 -0.55 0.00 0.00 0.00 175.10 174.74 1k88 s SER 293 N 1.38 2.52 0.00 3.32 0.15 -1.26 -0.52 113.70 119.29 1k88 s SER 293 Ca 0.04 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1k88 s SER 293 Cb -0.15 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1k88 s SER 293 CO -0.06 0.20 0.67 0.23 1.20 0.00 0.00 173.24 175.48 1k88 n MET 294 N 2.96 1.12 -1.67 5.44 2.81 -0.29 -5.03 117.12 122.47 1k88 n MET 294 Ca -0.17 -0.89 -0.38 0.00 -1.81 0.00 0.00 57.70 54.45 1k88 n MET 294 Cb 0.53 -0.82 0.06 0.00 -0.71 0.00 0.00 33.22 32.27 1k88 n MET 294 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1k88 n LEU 295 N -0.22 4.68 -0.26 4.03 4.77 -1.21 -1.21 117.00 127.58 1k88 n LEU 295 Ca 0.00 0.83 0.04 0.00 -0.03 0.00 0.00 56.01 56.85 1k88 n LEU 295 Cb 0.26 -1.46 0.02 0.00 -2.33 0.00 0.00 43.42 39.91 1k88 n LEU 295 CO 0.00 -1.44 0.33 0.35 -1.33 0.00 0.00 177.39 175.30 1k88 n THR 296 N -1.73 0.00 -4.06 -5.08 -2.24 -1.26 -4.79 114.28 95.12 1k88 n THR 296 Ca 0.14 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1k88 n THR 296 Cb 0.47 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.78 1k88 n THR 296 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k88 s LYS 297 N -0.70 1.59 0.31 -0.78 -0.14 -1.26 -4.96 119.74 113.80 1k88 s LYS 297 Ca 0.08 -1.47 -0.24 0.00 -1.36 0.00 0.00 55.97 52.98 1k88 s LYS 297 Cb 0.06 0.43 -0.10 0.00 -1.68 0.00 0.00 37.83 36.54 1k88 s LYS 297 CO 0.11 -0.64 0.89 -1.21 -0.76 0.00 0.00 175.35 173.74 1k88 s GLU 298 N -3.76 4.47 -0.24 1.68 2.02 -0.05 -4.76 118.70 118.07 1k88 s GLU 298 Ca 0.28 1.20 -0.03 0.00 0.02 0.00 0.00 54.97 56.44 1k88 s GLU 298 Cb 0.01 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1k88 s GLU 298 CO 0.13 0.28 -0.05 -1.17 0.02 0.00 0.00 175.26 174.46 1k88 s LEU 299 N -2.15 3.06 0.01 1.80 2.96 -1.26 -1.84 118.68 121.26 1k88 s LEU 299 Ca 0.50 -0.67 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1k88 s LEU 299 Cb -0.17 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1k88 s LEU 299 CO 0.22 -0.09 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.60 1k88 s TYR 300 N 1.39 2.22 -0.55 5.38 2.02 -1.26 -1.74 117.35 124.81 1k88 s TYR 300 Ca 0.03 -0.41 0.22 0.00 -0.37 0.00 0.00 57.07 56.54 1k88 s TYR 300 Cb -0.16 -1.38 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 1k88 s TYR 300 CO -0.04 0.03 0.93 1.19 -1.57 0.00 0.00 175.55 176.09 1k88 n PHE 301 N 2.16 0.22 -2.10 2.71 3.72 -1.26 -4.97 117.46 117.94 1k88 n PHE 301 Ca -0.16 0.06 -0.27 0.00 -0.05 0.00 0.00 57.45 57.03 1k88 n PHE 301 Cb 0.52 -0.41 0.10 0.00 -0.94 0.00 0.00 39.48 38.75 1k88 n PHE 301 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1k88 s SER 302 N -3.96 4.33 0.00 4.37 1.04 -1.26 -5.04 113.70 113.18 1k88 s SER 302 Ca 0.02 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1k88 s SER 302 Cb 0.14 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1k88 s SER 302 CO 0.83 -1.94 0.00 0.00 0.98 0.00 0.00 173.24 173.10