#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kyi s THR 2 N 0.00 0.91 -0.15 12.58 2.01 -1.26 -1.28 115.64 128.45 1kyi s THR 2 Ca 0.00 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1kyi s THR 2 Cb 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1kyi s THR 2 CO 0.00 0.35 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.50 1kyi s ILE 3 N 1.68 1.62 0.06 1.82 -1.09 -0.69 -2.73 121.20 121.86 1kyi s ILE 3 Ca 0.04 -0.67 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 1kyi s ILE 3 Cb -0.13 -1.51 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 1kyi s ILE 3 CO -0.07 0.47 -0.12 0.54 -1.23 0.00 0.00 174.94 174.53 1kyi s VAL 4 N 1.40 0.92 -0.07 2.92 0.11 -0.20 -0.56 120.40 124.92 1kyi s VAL 4 Ca 0.03 -1.16 -0.02 0.00 -2.93 0.00 0.00 61.98 57.91 1kyi s VAL 4 Cb -0.13 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1kyi s VAL 4 CO -0.10 -0.22 0.02 -0.55 -3.33 0.00 0.00 175.10 170.92 1kyi s SER 5 N -1.55 1.49 0.15 3.54 0.15 0.33 -0.98 113.70 116.84 1kyi s SER 5 Ca -0.04 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.64 1kyi s SER 5 Cb -0.09 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 1kyi s SER 5 CO 0.01 -0.21 -0.09 -0.69 1.20 0.00 0.00 173.24 173.46 1kyi s VAL 6 N 2.03 3.28 -0.21 4.45 1.01 -1.13 -1.04 120.40 128.79 1kyi s VAL 6 Ca 0.05 -1.48 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 1kyi s VAL 6 Cb -0.12 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.74 1kyi s VAL 6 CO -0.05 -0.01 0.06 -0.60 0.00 0.00 0.00 175.10 174.51 1kyi s ARG 7 N -2.55 0.47 -0.08 2.72 3.52 -1.23 -1.65 118.95 120.14 1kyi s ARG 7 Ca 0.23 -0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.38 1kyi s ARG 7 Cb -0.10 -1.94 0.04 0.00 -1.56 0.00 0.00 34.95 31.39 1kyi s ARG 7 CO 0.15 -0.72 0.19 1.03 -0.81 0.00 0.00 175.30 175.13 1kyi s ARG 8 N 1.93 0.14 -0.98 5.12 1.81 -0.80 -4.92 118.95 121.25 1kyi s ARG 8 Ca 0.02 0.43 -0.04 0.00 -1.72 0.00 0.00 55.73 54.41 1kyi s ARG 8 Cb -0.17 -0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.13 1kyi s ARG 8 CO -0.13 -0.16 0.85 0.09 -0.68 0.00 0.00 175.30 175.27 1kyi n ASN 9 N 4.19 -5.43 -1.90 0.23 3.02 -1.26 -2.62 115.26 111.49 1kyi n ASN 9 Ca -0.26 -0.63 -0.19 0.00 -0.03 0.00 0.00 54.58 53.48 1kyi n ASN 9 Cb 0.52 -4.78 -0.05 0.00 -0.61 0.00 0.00 39.78 34.86 1kyi n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kyi n GLY 10 N -1.23 0.84 3.38 7.41 0.00 -1.26 -4.95 105.19 109.38 1kyi n GLY 10 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1kyi n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kyi s GLN 11 N -4.18 2.72 -0.22 1.61 -1.52 -1.08 -4.54 119.66 112.46 1kyi s GLN 11 Ca 0.00 -0.76 -0.01 0.00 -1.95 0.00 0.00 55.36 52.64 1kyi s GLN 11 Cb 0.00 -2.37 0.06 0.00 -0.22 0.00 0.00 33.01 30.48 1kyi s GLN 11 CO 0.00 0.45 -0.02 0.08 -0.25 0.00 0.00 175.29 175.55 1kyi s VAL 12 N -0.30 1.15 0.12 1.09 1.01 -0.97 -1.90 120.40 120.61 1kyi s VAL 12 Ca 0.02 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1kyi s VAL 12 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1kyi s VAL 12 CO 0.03 -0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 174.23 1kyi s VAL 13 N 1.57 3.42 -0.23 2.92 1.01 -0.66 -1.04 120.40 127.39 1kyi s VAL 13 Ca -0.04 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.58 1kyi s VAL 13 Cb -0.18 -2.63 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1kyi s VAL 13 CO -0.07 0.05 0.27 -0.69 0.00 0.00 0.00 175.10 174.66 1kyi s VAL 14 N -1.36 -0.40 0.36 2.92 1.01 -0.05 -2.84 120.40 120.04 1kyi s VAL 14 Ca 0.23 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1kyi s VAL 14 Cb -0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 1kyi s VAL 14 CO 0.15 -0.23 0.05 -0.83 0.00 0.00 0.00 175.10 174.23 1kyi s GLY 15 N 2.38 2.17 -0.18 4.51 0.00 -0.15 -2.29 107.32 113.76 1kyi s GLY 15 Ca 0.09 -2.03 -0.29 0.00 0.00 0.00 0.00 44.72 42.49 1kyi s GLY 15 CO -0.16 -1.92 1.00 -0.32 0.00 0.00 0.00 173.10 171.69 1kyi s GLY 16 N -3.75 -0.25 0.00 0.20 0.00 -1.18 -1.03 107.32 101.31 1kyi s GLY 16 Ca 0.36 2.15 0.00 0.00 0.00 0.00 0.00 44.72 47.23 1kyi s GLY 16 CO 0.20 1.18 0.00 2.09 0.00 0.00 0.00 173.10 176.57 1kyi n ASP 17 N 1.01 -0.15 -2.68 1.64 5.75 -1.11 -1.58 116.55 119.43 1kyi n ASP 17 Ca -0.11 -0.10 -0.08 0.00 -0.01 0.00 0.00 54.79 54.50 1kyi n ASP 17 Cb 0.57 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.72 1kyi n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kyi n GLY 18 N 2.87 1.51 3.24 6.12 0.00 -0.39 -4.18 105.19 114.36 1kyi n GLY 18 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 1kyi n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kyi s GLN 19 N -2.44 2.83 -0.40 1.61 0.74 -1.26 -1.61 119.66 119.13 1kyi s GLN 19 Ca 0.26 -1.00 -0.19 0.00 0.05 0.00 0.00 55.36 54.47 1kyi s GLN 19 Cb 0.44 -3.15 0.01 0.00 1.10 0.00 0.00 33.01 31.41 1kyi s GLN 19 CO 0.00 -0.46 0.57 0.08 -0.55 0.00 0.00 175.29 174.93 1kyi s VAL 20 N 1.37 4.93 -0.10 1.34 1.01 0.21 -4.76 120.40 124.40 1kyi s VAL 20 Ca -0.00 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1kyi s VAL 20 Cb -0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1kyi s VAL 20 CO -0.02 -0.42 0.20 -0.44 0.00 0.00 0.00 175.10 174.42 1kyi s SER 21 N 1.88 6.47 -0.22 3.32 0.01 -1.26 -1.67 113.70 122.23 1kyi s SER 21 Ca 0.20 0.56 -0.01 0.00 1.31 0.00 0.00 55.95 58.01 1kyi s SER 21 Cb -0.15 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.03 1kyi s SER 21 CO 0.16 0.38 -0.02 -0.22 0.41 0.00 0.00 173.24 173.95 1kyi s LEU 22 N -0.96 1.97 0.00 2.44 2.96 -0.62 -4.93 118.68 119.54 1kyi s LEU 22 Ca 0.17 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.05 1kyi s LEU 22 Cb -0.13 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.63 1kyi s LEU 22 CO 0.06 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 1kyi n GLY 23 N 4.83 2.57 1.22 7.98 0.00 -1.26 -1.29 105.19 119.24 1kyi n GLY 23 Ca -0.11 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1kyi n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kyi n ASN 24 N 4.56 4.44 -4.77 1.61 3.02 -1.26 -4.96 115.26 117.90 1kyi n ASN 24 Ca 0.00 -2.89 -0.22 0.00 -0.03 0.00 0.00 54.58 51.44 1kyi n ASN 24 Cb 0.00 -0.57 -0.05 0.00 -0.61 0.00 0.00 39.78 38.55 1kyi n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kyi s THR 25 N -2.62 3.84 -0.25 3.41 -4.23 -0.42 -5.11 115.64 110.26 1kyi s THR 25 Ca 0.45 -1.58 -0.05 0.00 -1.18 0.00 0.00 61.69 59.33 1kyi s THR 25 Cb 0.35 -3.16 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 1kyi s THR 25 CO 0.13 -0.31 0.02 -0.69 -0.54 0.00 0.00 174.62 173.23 1kyi s VAL 26 N -2.25 3.72 -0.16 2.29 1.01 -1.26 -1.59 120.40 122.15 1kyi s VAL 26 Ca 0.34 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 1kyi s VAL 26 Cb -0.06 -2.79 -0.23 0.00 0.00 0.00 0.00 36.38 33.30 1kyi s VAL 26 CO 0.23 0.28 0.33 -0.03 0.00 0.00 0.00 175.10 175.91 1kyi h MET 27 N 8.17 0.11 -3.95 2.72 -1.53 -1.66 -3.48 114.93 115.32 1kyi h MET 27 Ca -0.37 -0.20 -0.31 0.00 -3.44 0.00 0.00 59.70 55.39 1kyi h MET 27 Cb 1.15 0.07 -0.30 0.00 -0.55 0.00 0.00 31.60 31.97 1kyi h MET 27 CO 0.59 1.09 -0.74 0.21 0.14 0.00 0.00 176.91 178.21 1kyi s LYS 28 N -2.43 0.28 -0.04 0.39 2.20 -1.19 -5.01 119.74 113.95 1kyi s LYS 28 Ca -0.25 -0.05 0.06 0.00 -0.36 0.00 0.00 55.97 55.38 1kyi s LYS 28 Cb 0.06 -0.34 0.13 0.00 -1.51 0.00 0.00 37.83 36.17 1kyi s LYS 28 CO 0.67 -0.01 1.09 0.41 -0.36 0.00 0.00 175.35 177.16 1kyi n GLY 29 N 3.42 3.41 0.00 5.54 0.00 -1.25 0.65 105.19 116.97 1kyi n GLY 29 Ca -0.18 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.52 1kyi n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kyi n ASN 30 N -0.54 3.68 -0.48 1.61 0.23 -0.63 -4.45 115.26 114.68 1kyi n ASN 30 Ca 0.06 -0.02 -0.06 0.00 -0.53 0.00 0.00 54.58 54.02 1kyi n ASN 30 Cb 0.39 1.23 -0.01 0.00 -2.08 0.00 0.00 39.78 39.31 1kyi n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kyi n ALA 31 N -1.66 -0.85 -2.60 -2.53 0.00 -1.18 -4.75 120.51 106.94 1kyi n ALA 31 Ca -0.01 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1kyi n ALA 31 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 1kyi n ALA 31 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1kyi s ARG 32 N -0.00 3.87 -0.00 0.00 0.52 -1.26 -4.16 118.95 117.91 1kyi s ARG 32 Ca 0.10 0.54 0.22 0.00 -0.52 0.00 0.00 55.73 56.07 1kyi s ARG 32 Cb -0.13 -3.78 -0.21 0.00 0.52 0.00 0.00 34.95 31.35 1kyi s ARG 32 CO 0.06 -0.83 0.81 1.63 0.02 0.00 0.00 175.30 176.98 1kyi n LYS 33 N 6.51 0.23 -3.97 3.54 5.02 -1.26 -4.81 118.16 123.42 1kyi n LYS 33 Ca 0.05 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 1kyi n LYS 33 Cb 0.48 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.83 1kyi n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1kyi s VAL 34 N -3.18 2.83 0.35 -0.18 1.01 -1.26 -2.26 120.40 117.72 1kyi s VAL 34 Ca 0.03 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1kyi s VAL 34 Cb 0.15 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1kyi s VAL 34 CO 0.87 0.23 0.07 -0.13 0.00 0.00 0.00 175.10 176.14 1kyi s ARG 35 N 1.33 2.19 -0.09 2.72 1.81 0.30 -4.93 118.95 122.27 1kyi s ARG 35 Ca 0.01 -1.70 -0.03 0.00 -1.72 0.00 0.00 55.73 52.28 1kyi s ARG 35 Cb -0.16 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.29 1kyi s ARG 35 CO -0.05 0.10 0.06 1.03 -0.68 0.00 0.00 175.30 175.76 1kyi s ARG 36 N -3.78 3.15 0.14 3.54 0.52 -1.26 -1.51 118.95 119.75 1kyi s ARG 36 Ca 0.36 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 55.32 1kyi s ARG 36 Cb -0.00 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1kyi s ARG 36 CO 0.21 0.72 -0.16 -0.51 0.02 0.00 0.00 175.30 175.58 1kyi s LEU 37 N -1.05 2.42 -0.97 2.53 1.43 0.18 -4.80 118.68 118.42 1kyi s LEU 37 Ca 0.15 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1kyi s LEU 37 Cb -0.12 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1kyi s LEU 37 CO 0.04 -0.09 0.83 0.00 0.23 0.00 0.00 176.35 177.37 1kyi n TYR 38 N 0.43 -2.54 -1.27 0.29 4.19 -1.26 -1.06 117.16 115.93 1kyi n TYR 38 Ca -0.14 0.89 -0.11 0.00 3.31 0.00 0.00 57.90 61.84 1kyi n TYR 38 Cb 0.57 -4.00 -0.05 0.00 0.49 0.00 0.00 39.34 36.35 1kyi n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1kyi n ASN 39 N -2.73 -4.94 0.00 2.98 3.02 -1.26 -1.13 115.26 111.20 1kyi n ASN 39 Ca -0.06 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1kyi n ASN 39 Cb 0.58 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 1kyi n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kyi n GLY 40 N 0.12 1.08 0.08 7.41 0.00 -1.10 -5.00 105.19 107.78 1kyi n GLY 40 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1kyi n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kyi h LYS 41 N 2.32 0.00 -5.24 1.61 6.56 -0.05 -3.47 116.57 118.30 1kyi h LYS 41 Ca 0.00 0.00 -0.42 0.00 -1.06 0.00 0.00 60.65 59.17 1kyi h LYS 41 Cb 0.00 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 31.42 1kyi h LYS 41 CO 0.00 0.72 -0.78 0.14 -2.06 0.00 0.00 179.45 177.47 1kyi s VAL 42 N -2.70 1.05 -0.12 0.50 -7.23 -0.23 -4.39 120.40 107.27 1kyi s VAL 42 Ca -0.01 -1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1kyi s VAL 42 Cb 0.09 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 1kyi s VAL 42 CO 0.82 -0.08 0.12 -0.76 -0.31 0.00 0.00 175.10 174.88 1kyi s LEU 43 N -1.30 4.24 -0.03 1.32 1.43 0.23 0.48 118.68 125.06 1kyi s LEU 43 Ca -0.00 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1kyi s LEU 43 Cb -0.08 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.13 1kyi s LEU 43 CO 0.01 0.38 0.04 0.00 0.23 0.00 0.00 176.35 177.01 1kyi s ALA 44 N -0.87 0.14 -0.07 4.21 0.00 -0.57 -1.03 121.76 123.57 1kyi s ALA 44 Ca 0.14 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1kyi s ALA 44 Cb -0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 1kyi s ALA 44 CO 0.03 -0.22 -0.22 0.20 0.00 0.00 0.00 175.76 175.55 1kyi s GLY 45 N 1.40 1.18 0.33 0.00 0.00 0.06 -0.54 107.32 109.75 1kyi s GLY 45 Ca -0.05 -0.90 0.10 0.00 0.00 0.00 0.00 44.72 43.87 1kyi s GLY 45 CO -0.03 -0.44 -0.09 -0.11 0.00 0.00 0.00 173.10 172.43 1kyi s PHE 46 N 0.08 2.42 -0.20 1.90 -0.71 -0.96 -0.80 117.98 119.71 1kyi s PHE 46 Ca -0.08 -0.45 -0.22 0.00 -1.04 0.00 0.00 56.93 55.13 1kyi s PHE 46 Cb -0.14 -1.33 0.06 0.00 -1.21 0.00 0.00 43.02 40.39 1kyi s PHE 46 CO 0.05 0.59 0.61 0.00 -1.34 0.00 0.00 175.22 175.13 1kyi s ALA 47 N -2.57 -1.52 0.00 1.99 0.00 -0.82 -4.92 121.76 113.91 1kyi s ALA 47 Ca 0.32 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1kyi s ALA 47 Cb 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1kyi s ALA 47 CO 0.17 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1kyi n GLY 48 N 2.42 0.87 1.87 0.00 0.00 -1.26 -1.32 105.19 107.76 1kyi n GLY 48 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 1kyi n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kyi n GLY 49 N 0.00 -3.56 0.00 -0.02 0.00 -1.26 -4.12 105.19 96.23 1kyi n GLY 49 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kyi n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kyi n THR 50 N 0.43 0.00 0.00 2.61 -2.24 -1.26 -2.86 114.28 110.95 1kyi n THR 50 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1kyi n THR 50 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1kyi n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kyi n ALA 51 N 0.00 0.00 -0.19 6.98 0.00 -1.26 0.46 120.51 126.49 1kyi n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kyi n ALA 51 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 1kyi n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1kyi h ASP 52 N 0.00 -0.17 -0.97 0.00 5.19 -1.83 0.30 116.42 118.94 1kyi h ASP 52 Ca 0.00 0.13 0.25 0.00 -0.62 0.00 0.00 57.03 56.79 1kyi h ASP 52 Cb 0.00 0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.67 1kyi h ASP 52 CO 0.00 -0.07 0.66 0.00 -3.12 0.00 0.00 179.24 176.71 1kyi h ALA 53 N 1.51 2.49 0.00 3.45 0.00 0.15 -0.53 119.26 126.33 1kyi h ALA 53 Ca 0.31 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1kyi h ALA 53 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1kyi h ALA 53 CO -0.47 -0.80 -0.28 0.74 0.00 0.00 0.00 179.25 178.44 1kyi h PHE 54 N 0.25 0.00 -0.02 0.00 0.05 0.27 -3.18 116.94 114.31 1kyi h PHE 54 Ca 0.50 0.00 0.01 0.00 3.82 0.00 0.00 57.97 62.30 1kyi h PHE 54 Cb 1.53 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.48 1kyi h PHE 54 CO -0.00 0.78 0.14 1.79 -0.18 0.00 0.00 178.31 180.84 1kyi h THR 55 N -1.00 0.06 0.04 -1.55 1.35 -0.50 0.74 112.91 112.04 1kyi h THR 55 Ca -0.07 0.00 -0.22 0.00 -0.55 0.00 0.00 66.41 65.57 1kyi h THR 55 Cb 0.79 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1kyi h THR 55 CO -0.04 0.00 -1.01 0.25 -0.25 0.00 0.00 175.52 174.47 1kyi h LEU 56 N 0.00 0.27 0.18 3.87 5.85 -1.20 -2.63 115.31 121.65 1kyi h LEU 56 Ca 0.01 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1kyi h LEU 56 Cb 0.29 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1kyi h LEU 56 CO -0.00 1.12 -0.09 0.15 -0.34 0.00 0.00 178.44 179.28 1kyi h PHE 57 N 0.09 -0.22 0.06 1.25 3.57 0.44 -2.91 116.94 119.22 1kyi h PHE 57 Ca -0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1kyi h PHE 57 Cb 1.69 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 40.47 1kyi h PHE 57 CO 0.04 0.07 -0.26 0.93 -2.23 0.00 0.00 178.31 176.86 1kyi h GLU 58 N -0.51 -0.41 -0.54 1.11 4.39 -1.20 -2.08 114.58 115.34 1kyi h GLU 58 Ca -0.02 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.86 1kyi h GLU 58 Cb 0.39 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1kyi h GLU 58 CO 0.04 -0.28 0.49 -0.07 -1.16 0.00 0.00 179.01 178.03 1kyi h LEU 59 N -0.43 0.00 0.00 1.33 4.07 -1.50 0.42 115.31 119.20 1kyi h LEU 59 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1kyi h LEU 59 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1kyi h LEU 59 CO -0.19 0.00 -0.42 0.15 -1.08 0.00 0.00 178.44 176.91 1kyi h PHE 60 N 0.00 0.00 0.00 1.13 3.57 -1.17 -3.21 116.94 117.26 1kyi h PHE 60 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1kyi h PHE 60 Cb 1.23 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1kyi h PHE 60 CO 0.00 0.00 -0.09 1.49 -2.23 0.00 0.00 178.31 177.48 1kyi h GLU 61 N 0.00 0.00 0.00 1.11 4.81 0.08 -2.60 114.58 117.98 1kyi h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kyi h GLU 61 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1kyi h GLU 61 CO 0.00 0.69 0.11 0.54 -0.73 0.00 0.00 179.01 179.62 1kyi n ARG 62 N -4.65 0.02 -0.01 1.92 1.74 -0.38 0.42 116.66 115.72 1kyi n ARG 62 Ca -0.08 0.43 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 1kyi n ARG 62 Cb 0.35 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 1kyi n ARG 62 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kyi n LYS 63 N -1.52 0.62 -0.03 5.56 4.01 -1.21 -4.22 118.16 121.38 1kyi n LYS 63 Ca -0.00 -0.14 -0.22 0.00 -0.51 0.00 0.00 58.31 57.44 1kyi n LYS 63 Cb 0.12 -1.45 -0.13 0.00 -0.51 0.00 0.00 35.03 33.06 1kyi n LYS 63 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1kyi h LEU 64 N 0.00 0.28 -3.89 -0.35 3.38 0.37 -3.25 115.31 111.86 1kyi h LEU 64 Ca 0.00 -0.79 -0.26 0.00 0.09 0.00 0.00 57.88 56.91 1kyi h LEU 64 Cb 0.81 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 1kyi h LEU 64 CO 0.00 1.70 0.02 -0.62 0.09 0.00 0.00 178.44 179.63 1kyi n GLU 65 N -3.87 1.90 0.00 1.13 1.02 -0.16 -1.20 120.64 119.45 1kyi n GLU 65 Ca -0.30 -1.28 0.00 0.00 -0.02 0.00 0.00 57.16 55.55 1kyi n GLU 65 Cb 0.90 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1kyi n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kyi n MET 66 N 1.53 0.00 -0.82 3.49 0.00 -1.25 -4.92 117.12 115.15 1kyi n MET 66 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 58.04 1kyi n MET 66 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.89 1kyi n MET 66 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1kyi n HIS 67 N 0.00 0.00 -2.43 3.17 -0.00 -0.81 -5.01 115.22 110.14 1kyi n HIS 67 Ca 0.00 -0.22 -0.21 0.00 -0.00 0.00 0.00 57.72 57.29 1kyi n HIS 67 Cb 0.36 0.17 -0.01 0.00 -0.00 0.00 0.00 29.99 30.51 1kyi n HIS 67 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1kyi n GLN 68 N 0.09 -1.85 -1.63 -0.41 6.02 -1.05 -2.30 117.38 116.25 1kyi n GLN 68 Ca -0.06 1.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.80 1kyi n GLN 68 Cb 0.72 -5.67 -0.04 0.00 1.02 0.00 0.00 30.24 26.26 1kyi n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1kyi n GLY 69 N -1.03 0.87 3.56 1.08 0.00 -0.34 -4.93 105.19 104.39 1kyi n GLY 69 Ca -0.24 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1kyi n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kyi s HIS 70 N -2.51 2.42 0.04 1.61 3.76 -0.97 -4.89 115.29 114.74 1kyi s HIS 70 Ca 0.00 -0.51 -0.07 0.00 -0.15 0.00 0.00 55.06 54.33 1kyi s HIS 70 Cb 0.00 -4.65 -0.02 0.00 1.11 0.00 0.00 32.58 29.02 1kyi s HIS 70 CO 0.00 -1.99 1.13 1.25 -0.85 0.00 0.00 174.74 174.28 1kyi h LEU 71 N 13.03 -0.49 -0.59 0.89 5.85 -1.91 0.30 115.31 132.39 1kyi h LEU 71 Ca 0.02 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1kyi h LEU 71 Cb 1.03 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 1kyi h LEU 71 CO 1.37 -0.06 0.04 0.25 -0.34 0.00 0.00 178.44 179.69 1kyi h LEU 72 N -0.02 -0.18 -0.37 2.25 5.85 -1.97 0.24 115.31 121.09 1kyi h LEU 72 Ca 0.03 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1kyi h LEU 72 Cb 0.11 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1kyi h LEU 72 CO -0.20 -0.07 0.01 0.11 -0.34 0.00 0.00 178.44 177.95 1kyi h LYS 73 N 0.15 0.65 -0.99 1.25 6.56 -1.83 -1.83 116.57 120.55 1kyi h LYS 73 Ca 0.31 -0.20 0.03 0.00 -1.06 0.00 0.00 60.65 59.72 1kyi h LYS 73 Cb 0.48 -0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.03 1kyi h LYS 73 CO -0.47 0.75 0.65 0.77 -2.06 0.00 0.00 179.45 179.09 1kyi h SER 74 N 0.48 1.09 0.84 0.86 0.02 0.65 0.11 113.55 117.60 1kyi h SER 74 Ca 0.11 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1kyi h SER 74 Cb 0.45 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1kyi h SER 74 CO 0.02 0.76 -0.49 0.00 -1.14 0.00 0.00 176.83 175.98 1kyi h ALA 75 N 1.41 -1.28 -0.37 3.77 0.00 -0.26 -1.78 119.26 120.76 1kyi h ALA 75 Ca 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1kyi h ALA 75 Cb -0.03 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1kyi h ALA 75 CO -0.11 -1.23 0.18 0.28 0.00 0.00 0.00 179.25 178.37 1kyi h VAL 76 N -1.24 1.13 -0.41 0.00 2.07 -1.08 0.99 116.25 117.71 1kyi h VAL 76 Ca -0.11 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1kyi h VAL 76 Cb 0.98 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1kyi h VAL 76 CO 0.14 0.15 0.03 -0.33 0.02 0.00 0.00 177.57 177.57 1kyi h GLU 77 N 0.51 0.63 -0.07 1.57 5.08 -0.61 -0.67 114.58 121.02 1kyi h GLU 77 Ca 0.13 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1kyi h GLU 77 Cb 0.05 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.22 1kyi h GLU 77 CO -0.02 0.64 -0.46 1.25 -1.00 0.00 0.00 179.01 179.42 1kyi h LEU 78 N 0.61 0.53 -0.43 1.33 5.85 -0.28 -3.22 115.31 119.69 1kyi h LEU 78 Ca 0.13 -0.67 0.02 0.00 0.84 0.00 0.00 57.88 58.20 1kyi h LEU 78 Cb 0.34 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1kyi h LEU 78 CO 0.01 1.11 0.26 0.00 -0.34 0.00 0.00 178.44 179.48 1kyi h ALA 79 N 0.43 0.55 0.00 1.25 0.00 -0.64 -1.80 119.26 119.05 1kyi h ALA 79 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1kyi h ALA 79 Cb 1.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1kyi h ALA 79 CO 0.09 -0.06 0.04 1.57 0.00 0.00 0.00 179.25 180.89 1kyi h LYS 80 N 0.52 0.00 0.00 0.00 5.09 -1.17 -0.29 116.57 120.71 1kyi h LYS 80 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.91 1kyi h LYS 80 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1kyi h LYS 80 CO -0.08 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.03 1kyi n ASP 81 N -2.98 0.00 -0.03 7.07 10.43 -0.67 -3.03 116.55 127.33 1kyi n ASP 81 Ca -0.03 -0.97 -0.04 0.00 2.57 0.00 0.00 54.79 56.33 1kyi n ASP 81 Cb 0.11 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.03 1kyi n ASP 81 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1kyi n TRP 82 N -0.95 0.00 0.88 1.24 8.01 -0.14 -3.37 117.44 123.12 1kyi n TRP 82 Ca 0.19 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.38 1kyi n TRP 82 Cb 0.09 -0.26 0.02 0.00 -2.01 0.00 0.00 31.31 29.14 1kyi n TRP 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1kyi n ARG 83 N -2.42 1.17 -1.06 -0.99 1.74 -1.12 -4.62 116.66 109.37 1kyi n ARG 83 Ca -0.10 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1kyi n ARG 83 Cb 0.65 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1kyi n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1kyi n THR 84 N 0.17 0.00 0.05 0.55 -2.24 -1.24 -5.04 114.28 106.52 1kyi n THR 84 Ca 0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.68 1kyi n THR 84 Cb 0.40 -0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 67.73 1kyi n THR 84 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1kyi h ASP 85 N 0.00 -0.14 -2.90 3.42 5.19 -1.95 -3.39 116.42 116.65 1kyi h ASP 85 Ca 0.00 -0.39 -0.70 0.00 -0.62 0.00 0.00 57.03 55.32 1kyi h ASP 85 Cb 0.00 0.04 -0.20 0.00 0.18 0.00 0.00 39.33 39.35 1kyi h ASP 85 CO 0.00 0.37 0.19 -0.60 -3.12 0.00 0.00 179.24 176.08 1kyi s ARG 86 N -3.92 3.12 1.10 3.56 3.52 -1.26 -5.04 118.95 120.02 1kyi s ARG 86 Ca -0.14 -1.40 -0.13 0.00 -0.13 0.00 0.00 55.73 53.93 1kyi s ARG 86 Cb 0.01 -4.32 0.23 0.00 -1.56 0.00 0.00 34.95 29.30 1kyi s ARG 86 CO 0.57 -1.56 0.91 0.00 -0.81 0.00 0.00 175.30 174.41 1kyi n ALA 87 N 6.29 -2.54 -2.94 6.12 0.00 -1.26 -4.91 120.51 121.27 1kyi n ALA 87 Ca -0.05 -1.02 -0.34 0.00 0.00 0.00 0.00 53.44 52.03 1kyi n ALA 87 Cb 0.43 -1.99 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 1kyi n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kyi n LEU 88 N -4.27 5.55 0.00 0.00 0.00 -1.22 -5.01 117.00 112.05 1kyi n LEU 88 Ca 0.05 -5.49 0.00 0.00 0.00 0.00 0.00 56.01 50.57 1kyi n LEU 88 Cb 0.54 -0.87 0.00 0.00 0.00 0.00 0.00 43.42 43.09 1kyi n LEU 88 CO 0.54 2.12 0.00 -1.14 0.00 0.00 0.00 177.39 178.91 1kyi n ARG 89 N 0.22 0.00 -3.65 1.96 0.63 -1.26 -4.74 116.66 109.82 1kyi n ARG 89 Ca 0.35 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 57.25 1kyi n ARG 89 Cb 0.34 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.20 1kyi n ARG 89 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1kyi s LYS 90 N 0.00 0.57 -0.20 -0.14 0.00 -1.26 -5.02 119.74 113.69 1kyi s LYS 90 Ca 0.00 1.34 -0.10 0.00 0.00 0.00 0.00 55.97 57.21 1kyi s LYS 90 Cb 0.00 0.64 -0.05 0.00 0.00 0.00 0.00 37.83 38.42 1kyi s LYS 90 CO 0.00 -0.20 0.13 -0.51 0.00 0.00 0.00 175.35 174.78 1kyi s LEU 91 N 2.58 4.21 -1.54 2.77 1.02 0.27 -5.00 118.68 122.99 1kyi s LEU 91 Ca -0.06 0.23 -0.10 0.00 0.02 0.00 0.00 54.13 54.22 1kyi s LEU 91 Cb -0.11 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 1kyi s LEU 91 CO -0.18 0.17 2.71 -0.62 0.02 0.00 0.00 176.35 178.45 1kyi n GLU 92 N 3.55 3.67 -3.71 1.70 -0.58 -1.26 -4.12 120.64 119.89 1kyi n GLU 92 Ca -0.16 -2.50 -0.02 0.00 -0.42 0.00 0.00 57.16 54.06 1kyi n GLU 92 Cb 0.52 -2.87 -0.01 0.00 -0.57 0.00 0.00 31.44 28.50 1kyi n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1kyi s ALA 93 N 1.84 -1.83 0.00 0.62 0.00 -1.26 -4.45 121.76 116.69 1kyi s ALA 93 Ca 0.62 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 1kyi s ALA 93 Cb 0.17 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1kyi s ALA 93 CO -0.07 -1.03 0.32 0.00 0.00 0.00 0.00 175.76 174.98 1kyi s MET 94 N -3.03 0.72 0.15 0.00 0.23 -0.44 -1.91 119.30 115.02 1kyi s MET 94 Ca 0.13 -0.28 0.11 0.00 -1.03 0.00 0.00 55.69 54.61 1kyi s MET 94 Cb 0.00 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 1kyi s MET 94 CO 0.00 -0.21 -0.26 -0.51 -2.03 0.00 0.00 175.02 172.01 1kyi s LEU 95 N -1.56 2.37 -0.22 0.18 1.02 0.02 -1.95 118.68 118.54 1kyi s LEU 95 Ca -0.11 -0.77 0.02 0.00 0.02 0.00 0.00 54.13 53.29 1kyi s LEU 95 Cb -0.04 -1.22 0.04 0.00 0.02 0.00 0.00 46.19 44.99 1kyi s LEU 95 CO 0.02 0.16 -0.14 -0.63 0.02 0.00 0.00 176.35 175.78 1kyi s ILE 96 N -1.23 2.02 0.02 -0.59 1.01 0.02 -0.97 121.20 121.48 1kyi s ILE 96 Ca 0.16 -1.24 0.08 0.00 0.00 0.00 0.00 60.65 59.66 1kyi s ILE 96 Cb -0.09 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 1kyi s ILE 96 CO 0.07 0.23 -0.24 0.68 0.00 0.00 0.00 174.94 175.69 1kyi s VAL 97 N 1.24 2.33 -0.28 2.92 -7.23 0.15 -0.76 120.40 118.76 1kyi s VAL 97 Ca -0.02 -1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 58.70 1kyi s VAL 97 Cb -0.16 -1.90 0.10 0.00 0.56 0.00 0.00 36.38 34.97 1kyi s VAL 97 CO -0.09 0.43 0.85 0.00 -0.31 0.00 0.00 175.10 175.98 1kyi s ALA 98 N -0.78 -1.92 0.17 1.32 0.00 -0.19 0.15 121.76 120.50 1kyi s ALA 98 Ca 0.12 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1kyi s ALA 98 Cb -0.10 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1kyi s ALA 98 CO 0.02 -0.31 0.02 -0.40 0.00 0.00 0.00 175.76 175.08 1kyi n ASP 99 N 2.91 2.00 -0.25 0.00 3.85 -0.32 -0.60 116.55 124.14 1kyi n ASP 99 Ca -0.15 -1.77 0.14 0.00 -0.71 0.00 0.00 54.79 52.30 1kyi n ASP 99 Cb 0.56 0.20 0.41 0.00 -1.35 0.00 0.00 41.12 40.95 1kyi n ASP 99 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1kyi h GLU 100 N 0.00 0.59 0.00 0.11 4.11 -1.94 -3.32 114.58 114.14 1kyi h GLU 100 Ca -0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.26 1kyi h GLU 100 Cb 0.44 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1kyi h GLU 100 CO 0.22 0.39 0.00 0.36 0.07 0.00 0.00 179.01 180.05 1kyi n LYS 101 N -4.55 0.00 -4.53 1.06 2.85 -1.26 -5.02 118.16 106.72 1kyi n LYS 101 Ca 0.17 0.37 -0.29 0.00 -1.05 0.00 0.00 58.31 57.51 1kyi n LYS 101 Cb 0.52 -0.93 -0.08 0.00 -0.65 0.00 0.00 35.03 33.89 1kyi n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1kyi s GLU 102 N -0.94 2.13 -0.02 -1.58 0.41 -1.25 -5.16 118.70 112.29 1kyi s GLU 102 Ca 0.00 -2.18 -0.02 0.00 -0.41 0.00 0.00 54.97 52.36 1kyi s GLU 102 Cb 0.00 -1.70 0.01 0.00 -1.78 0.00 0.00 34.13 30.66 1kyi s GLU 102 CO 0.00 -0.24 0.06 -1.54 -0.49 0.00 0.00 175.26 173.04 1kyi s SER 103 N -3.87 -0.05 0.31 -0.19 1.04 -1.26 -1.17 113.70 108.51 1kyi s SER 103 Ca 0.24 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.81 1kyi s SER 103 Cb 0.04 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1kyi s SER 103 CO 0.13 -0.03 0.31 -0.76 0.98 0.00 0.00 173.24 173.88 1kyi s LEU 104 N 0.11 1.40 -0.08 2.42 1.43 0.39 -4.44 118.68 119.91 1kyi s LEU 104 Ca -0.01 -1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 51.47 1kyi s LEU 104 Cb -0.01 0.82 0.04 0.00 0.03 0.00 0.00 46.19 47.07 1kyi s LEU 104 CO -0.00 -1.09 0.06 -0.51 0.23 0.00 0.00 176.35 175.04 1kyi s ILE 105 N -3.48 -0.06 -0.14 -0.59 2.07 -1.02 -0.68 121.20 117.32 1kyi s ILE 105 Ca 0.37 0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 1kyi s ILE 105 Cb 0.02 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.28 1kyi s ILE 105 CO 0.22 0.04 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.53 1kyi s ILE 106 N 2.14 2.87 0.01 2.00 1.01 -0.14 -1.30 121.20 127.78 1kyi s ILE 106 Ca 0.04 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.97 1kyi s ILE 106 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1kyi s ILE 106 CO -0.05 0.52 0.10 0.42 0.00 0.00 0.00 174.94 175.93 1kyi s THR 107 N 0.53 4.81 -0.70 2.92 -4.23 -0.84 -0.80 115.64 117.33 1kyi s THR 107 Ca -0.09 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1kyi s THR 107 Cb -0.16 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1kyi s THR 107 CO 0.04 0.31 0.43 0.61 -0.54 0.00 0.00 174.62 175.48 1kyi n GLY 108 N 1.04 1.10 0.00 3.99 0.00 -0.80 -1.48 105.19 109.04 1kyi n GLY 108 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1kyi n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kyi n ILE 109 N 0.32 0.00 0.00 -0.61 5.41 -1.26 -0.56 119.36 122.65 1kyi n ILE 109 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.50 1kyi n ILE 109 Cb 0.22 0.62 0.00 0.00 -0.71 0.00 0.00 39.64 39.77 1kyi n ILE 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1kyi n GLY 110 N 1.59 0.77 3.15 7.39 0.00 -0.55 -4.81 105.19 112.74 1kyi n GLY 110 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1kyi n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kyi s ASP 111 N -1.08 -0.13 -0.08 1.61 -4.77 -1.24 -4.77 116.67 106.21 1kyi s ASP 111 Ca 0.00 0.10 0.05 0.00 -3.30 0.00 0.00 52.55 49.40 1kyi s ASP 111 Cb 0.00 0.33 -0.00 0.00 -1.09 0.00 0.00 42.92 42.16 1kyi s ASP 111 CO 0.00 -0.31 -0.24 -0.69 0.70 0.00 0.00 175.17 174.64 1kyi s VAL 112 N -0.90 2.00 -0.05 2.11 1.01 -1.26 -1.98 120.40 121.33 1kyi s VAL 112 Ca -0.10 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 60.92 1kyi s VAL 112 Cb -0.05 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1kyi s VAL 112 CO 0.02 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 1kyi s VAL 113 N 0.17 1.52 0.03 2.92 1.01 -0.42 -5.00 120.40 120.64 1kyi s VAL 113 Ca -0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1kyi s VAL 113 Cb -0.16 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1kyi s VAL 113 CO 0.07 0.44 0.33 -1.10 0.00 0.00 0.00 175.10 174.83 1kyi s GLN 114 N 0.08 3.67 1.25 2.72 -0.21 -1.26 -2.43 119.66 123.48 1kyi s GLN 114 Ca -0.05 0.05 -0.19 0.00 0.02 0.00 0.00 55.36 55.19 1kyi s GLN 114 Cb -0.12 -3.06 0.28 0.00 1.00 0.00 0.00 33.01 31.11 1kyi s GLN 114 CO 0.03 0.62 0.63 -2.30 -2.12 0.00 0.00 175.29 172.15 1kyi n PRO 115 N 1.11 -3.55 -3.01 2.91 -0.02 -1.26 -5.03 135.00 126.15 1kyi n PRO 115 Ca -0.10 -1.05 -0.17 0.00 -2.02 0.00 0.00 63.50 60.15 1kyi n PRO 115 Cb 0.53 -1.73 0.01 0.00 -0.02 0.00 0.00 33.50 32.29 1kyi n PRO 115 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1kyi s GLU 116 N -4.29 2.82 0.23 -0.52 1.03 -1.26 -4.92 118.70 111.79 1kyi s GLU 116 Ca 0.53 -1.25 0.10 0.00 0.03 0.00 0.00 54.97 54.38 1kyi s GLU 116 Cb -0.10 -2.76 0.77 0.00 -0.80 0.00 0.00 34.13 31.24 1kyi s GLU 116 CO 0.46 -0.28 1.06 -0.85 -1.33 0.00 0.00 175.26 174.32 1kyi n GLU 117 N -1.86 -0.04 0.12 -4.83 0.00 -1.26 -0.16 120.64 112.60 1kyi n GLU 117 Ca 0.08 0.95 0.11 0.00 0.00 0.00 0.00 57.16 58.31 1kyi n GLU 117 Cb 0.59 -1.64 0.47 0.00 0.00 0.00 0.00 31.44 30.86 1kyi n GLU 117 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1kyi n ASP 118 N -4.65 0.58 -2.74 -1.84 5.68 -1.26 -4.92 116.55 107.41 1kyi n ASP 118 Ca 0.22 0.65 -0.15 0.00 -0.50 0.00 0.00 54.79 55.01 1kyi n ASP 118 Cb 0.74 -0.77 0.06 0.00 -1.14 0.00 0.00 41.12 40.01 1kyi n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kyi n GLN 119 N -2.15 -5.32 -5.24 0.11 1.13 0.78 -4.76 117.38 101.93 1kyi n GLN 119 Ca 0.02 0.60 -0.32 0.00 -1.94 0.00 0.00 57.00 55.37 1kyi n GLN 119 Cb 0.22 -4.93 -0.16 0.00 0.11 0.00 0.00 30.24 25.47 1kyi n GLN 119 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kyi s ILE 120 N -3.24 2.11 -0.01 5.09 1.01 -1.26 -3.56 121.20 121.33 1kyi s ILE 120 Ca 0.23 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1kyi s ILE 120 Cb -0.10 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.60 1kyi s ILE 120 CO 0.53 0.57 -0.07 -0.76 0.00 0.00 0.00 174.94 175.20 1kyi s LEU 121 N -0.13 1.91 -0.00 2.97 1.43 -0.21 -4.66 118.68 119.99 1kyi s LEU 121 Ca -0.05 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1kyi s LEU 121 Cb -0.14 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1kyi s LEU 121 CO 0.04 0.07 0.15 0.00 0.23 0.00 0.00 176.35 176.84 1kyi s ALA 122 N -0.01 -0.35 0.22 4.21 0.00 -1.26 0.12 121.76 124.70 1kyi s ALA 122 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 1kyi s ALA 122 Cb -0.05 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1kyi s ALA 122 CO -0.00 -0.20 0.37 0.96 0.00 0.00 0.00 175.76 176.89 1kyi s ILE 123 N -1.23 0.01 0.00 0.00 -4.36 0.28 -4.86 121.20 111.04 1kyi s ILE 123 Ca -0.13 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1kyi s ILE 123 Cb -0.07 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1kyi s ILE 123 CO 0.02 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1kyi n GLY 124 N -0.33 0.46 0.26 6.27 0.00 -1.26 -1.71 105.19 108.88 1kyi n GLY 124 Ca -0.02 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.23 1kyi n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kyi h SER 125 N 0.00 0.04 0.00 1.61 4.64 -1.82 0.48 113.55 118.50 1kyi h SER 125 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1kyi h SER 125 Cb 0.00 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1kyi h SER 125 CO 0.00 -0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1kyi n GLY 126 N -1.34 -0.80 0.00 -0.77 0.00 -0.41 -4.48 105.19 97.40 1kyi n GLY 126 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kyi n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kyi n GLY 127 N 0.53 -3.49 0.35 -0.02 0.00 0.17 -2.11 105.19 100.61 1kyi n GLY 127 Ca 0.15 0.74 0.18 0.00 0.00 0.00 0.00 46.02 47.09 1kyi n GLY 127 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kyi h ASN 128 N 0.00 0.00 -0.21 1.61 2.35 -1.79 -0.89 115.58 116.65 1kyi h ASN 128 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1kyi h ASN 128 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1kyi h ASN 128 CO 0.00 0.00 -0.16 1.88 -1.65 0.00 0.00 177.43 177.50 1kyi h TYR 129 N 0.00 0.57 -0.32 1.19 0.99 -1.73 -0.71 116.97 116.96 1kyi h TYR 129 Ca 0.06 -0.16 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 1kyi h TYR 129 Cb 0.57 -0.12 -0.01 0.00 1.00 0.00 0.00 36.73 38.16 1kyi h TYR 129 CO 0.00 0.80 -0.02 0.00 -0.00 0.00 0.00 178.16 178.94 1kyi h ALA 130 N 0.67 0.44 0.00 3.88 0.00 -0.97 -2.13 119.26 121.14 1kyi h ALA 130 Ca 0.04 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1kyi h ALA 130 Cb 0.68 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1kyi h ALA 130 CO 0.04 0.21 -0.02 1.25 0.00 0.00 0.00 179.25 180.73 1kyi h LEU 131 N 0.37 0.00 0.17 0.00 5.85 -1.16 0.27 115.31 120.81 1kyi h LEU 131 Ca 0.09 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.51 1kyi h LEU 131 Cb 0.48 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.53 1kyi h LEU 131 CO 0.02 0.02 -1.33 0.28 -0.34 0.00 0.00 178.44 177.09 1kyi h SER 132 N 0.00 0.66 -0.14 1.25 0.02 -0.65 -2.47 113.55 112.22 1kyi h SER 132 Ca -0.00 -0.68 -0.22 0.00 -0.84 0.00 0.00 61.79 60.05 1kyi h SER 132 Cb 0.05 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.39 1kyi h SER 132 CO 0.00 1.53 -0.76 0.00 -1.14 0.00 0.00 176.83 176.46 1kyi h ALA 133 N 0.38 0.34 0.68 3.77 0.00 -0.83 -2.30 119.26 121.30 1kyi h ALA 133 Ca -0.19 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 1kyi h ALA 133 Cb 2.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1kyi h ALA 133 CO 0.24 0.69 -0.44 0.00 0.00 0.00 0.00 179.25 179.74 1kyi h ALA 134 N 0.59 -1.22 -0.96 0.00 0.00 -0.54 -0.14 119.26 116.99 1kyi h ALA 134 Ca -0.05 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.79 1kyi h ALA 134 Cb 1.38 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 19.65 1kyi h ALA 134 CO 0.16 -1.19 0.61 0.00 0.00 0.00 0.00 179.25 178.82 1kyi h ARG 135 N -1.05 0.79 -0.09 0.00 3.08 -1.53 0.13 114.38 115.70 1kyi h ARG 135 Ca -0.09 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.95 1kyi h ARG 135 Cb 0.85 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 1kyi h ARG 135 CO 0.08 0.52 -0.14 0.00 -1.07 0.00 0.00 179.97 179.36 1kyi h ALA 136 N 1.59 -0.09 0.50 0.04 0.00 -0.80 -2.05 119.26 118.45 1kyi h ALA 136 Ca 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 1kyi h ALA 136 Cb 0.69 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1kyi h ALA 136 CO -0.26 -0.60 -0.24 -0.07 0.00 0.00 0.00 179.25 178.08 1kyi h LEU 137 N -0.19 -0.56 -0.88 0.00 4.07 0.35 -2.67 115.31 115.42 1kyi h LEU 137 Ca 0.08 -0.06 0.23 0.00 0.08 0.00 0.00 57.88 58.21 1kyi h LEU 137 Cb 0.30 0.15 -0.13 0.00 1.08 0.00 0.00 40.66 42.05 1kyi h LEU 137 CO -0.20 -0.17 0.29 0.58 -1.08 0.00 0.00 178.44 177.86 1kyi h VAL 138 N -1.06 0.37 0.00 1.22 2.07 -0.83 0.70 116.25 118.73 1kyi h VAL 138 Ca -0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1kyi h VAL 138 Cb 0.59 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1kyi h VAL 138 CO 0.11 0.05 -0.10 -0.62 0.02 0.00 0.00 177.57 177.03 1kyi n GLU 139 N -5.16 0.05 0.00 1.57 1.02 -0.77 -4.22 120.64 113.13 1kyi n GLU 139 Ca 0.21 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1kyi n GLU 139 Cb 0.67 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1kyi n GLU 139 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1kyi n ASN 140 N -1.65 0.47 -3.93 1.62 3.02 0.07 -5.08 115.26 109.78 1kyi n ASN 140 Ca 0.06 -1.19 -0.15 0.00 -0.03 0.00 0.00 54.58 53.27 1kyi n ASN 140 Cb 0.36 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 1kyi n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1kyi s THR 141 N -0.19 0.06 -0.85 3.41 -1.32 0.22 -5.00 115.64 111.97 1kyi s THR 141 Ca 0.00 -2.00 0.17 0.00 -1.21 0.00 0.00 61.69 58.65 1kyi s THR 141 Cb 0.00 -2.51 -0.18 0.00 -1.51 0.00 0.00 72.50 68.30 1kyi s THR 141 CO 0.00 0.00 0.74 -0.62 -2.21 0.00 0.00 174.62 172.53 1kyi n GLU 142 N -0.42 1.30 -1.19 7.08 -0.58 -1.26 -4.74 120.64 120.82 1kyi n GLU 142 Ca 0.03 -0.04 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 1kyi n GLU 142 Cb 0.65 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 30.19 1kyi n GLU 142 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1kyi n LEU 143 N -1.35 -1.87 -4.75 -4.62 4.77 -1.26 -4.92 117.00 103.00 1kyi n LEU 143 Ca 0.03 0.85 -0.31 0.00 -0.03 0.00 0.00 56.01 56.56 1kyi n LEU 143 Cb 0.27 -0.81 0.11 0.00 -2.33 0.00 0.00 43.42 40.66 1kyi n LEU 143 CO 0.35 -3.22 0.69 -0.94 -1.33 0.00 0.00 177.39 172.94 1kyi s SER 144 N -0.89 4.09 0.58 -1.43 1.04 -1.26 -4.77 113.70 111.07 1kyi s SER 144 Ca 0.54 1.71 0.33 0.00 0.48 0.00 0.00 55.95 59.01 1kyi s SER 144 Cb -0.69 -2.39 1.82 0.00 0.10 0.00 0.00 66.02 64.86 1kyi s SER 144 CO 0.53 -2.28 2.21 0.00 0.98 0.00 0.00 173.24 174.68 1kyi h ALA 145 N -1.30 1.31 0.11 5.32 0.00 -1.91 -0.71 119.26 122.08 1kyi h ALA 145 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1kyi h ALA 145 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1kyi h ALA 145 CO 0.52 0.05 -0.05 1.25 0.00 0.00 0.00 179.25 181.02 1kyi h HIS 146 N 0.00 -0.14 -0.56 0.00 -0.00 -1.90 -2.29 115.15 110.26 1kyi h HIS 146 Ca -0.00 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 1kyi h HIS 146 Cb 0.13 0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 27.49 1kyi h HIS 146 CO 0.00 0.32 0.02 0.93 -0.00 0.00 0.00 177.93 179.20 1kyi h GLU 147 N -0.92 0.13 -0.05 5.26 5.08 -1.83 0.76 114.58 123.02 1kyi h GLU 147 Ca -0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1kyi h GLU 147 Cb 0.52 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1kyi h GLU 147 CO 0.02 0.09 -0.04 0.82 -1.00 0.00 0.00 179.01 178.91 1kyi h ILE 148 N 0.14 0.89 -0.56 3.13 2.04 -1.22 0.18 117.51 122.11 1kyi h ILE 148 Ca 0.29 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 1kyi h ILE 148 Cb 0.44 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1kyi h ILE 148 CO -0.45 0.00 0.27 0.58 0.00 0.00 0.00 178.15 178.55 1kyi h VAL 149 N -0.04 0.92 0.51 1.67 2.07 -0.73 0.36 116.25 121.01 1kyi h VAL 149 Ca 0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1kyi h VAL 149 Cb 0.09 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1kyi h VAL 149 CO -0.08 0.09 -0.45 -0.08 0.02 0.00 0.00 177.57 177.08 1kyi h GLU 150 N 0.52 -0.92 0.11 1.57 4.22 -0.47 -0.51 114.58 119.10 1kyi h GLU 150 Ca 0.26 0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.78 1kyi h GLU 150 Cb 0.20 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1kyi h GLU 150 CO -0.19 -0.61 -0.23 0.87 -2.18 0.00 0.00 179.01 176.67 1kyi h LYS 151 N -0.95 -0.40 -0.61 1.92 1.79 -0.24 -2.71 116.57 115.37 1kyi h LYS 151 Ca -0.06 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.53 1kyi h LYS 151 Cb 0.82 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.52 1kyi h LYS 151 CO -0.03 -0.27 0.41 0.77 -1.08 0.00 0.00 179.45 179.25 1kyi h SER 152 N -0.42 0.41 -0.51 0.86 0.02 -0.21 -2.19 113.55 111.51 1kyi h SER 152 Ca 0.03 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1kyi h SER 152 Cb 0.45 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1kyi h SER 152 CO -0.13 0.25 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.71 1kyi h LEU 153 N 0.46 0.90 -0.20 5.07 3.38 -0.77 -2.61 115.31 121.55 1kyi h LEU 153 Ca 0.28 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1kyi h LEU 153 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1kyi h LEU 153 CO -0.08 1.01 0.04 -0.09 0.09 0.00 0.00 178.44 179.40 1kyi h ARG 154 N 0.78 0.34 -0.95 1.13 2.43 -1.24 -1.24 114.38 115.62 1kyi h ARG 154 Ca 0.14 -0.09 0.19 0.00 -0.81 0.00 0.00 59.98 59.41 1kyi h ARG 154 Cb 0.56 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 1kyi h ARG 154 CO 0.03 0.48 0.61 0.82 -1.51 0.00 0.00 179.97 180.40 1kyi h ILE 155 N 0.14 0.72 0.00 1.20 5.03 -1.38 -0.06 117.51 123.16 1kyi h ILE 155 Ca 0.06 -0.21 -0.04 0.00 -0.12 0.00 0.00 64.86 64.55 1kyi h ILE 155 Cb 0.31 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.15 1kyi h ILE 155 CO 0.00 0.11 -0.20 0.00 -0.68 0.00 0.00 178.15 177.38 1kyi h ALA 156 N 1.62 0.87 0.00 1.87 0.00 -1.05 -3.24 119.26 119.32 1kyi h ALA 156 Ca 0.51 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1kyi h ALA 156 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1kyi h ALA 156 CO -0.26 0.25 -0.36 0.78 0.00 0.00 0.00 179.25 179.66 1kyi h GLY 157 N 3.76 0.00 -0.09 0.00 0.00 0.19 -1.88 103.07 105.04 1kyi h GLY 157 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kyi h GLY 157 CO 0.03 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.79 1kyi n ASP 158 N -3.26 0.97 0.00 0.19 10.43 -0.99 -4.03 116.55 119.86 1kyi n ASP 158 Ca 0.02 -1.46 0.00 0.00 2.57 0.00 0.00 54.79 55.92 1kyi n ASP 158 Cb 0.63 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.55 1kyi n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1kyi n ILE 159 N -0.19 0.00 -3.19 0.53 5.41 -1.20 -5.02 119.36 115.69 1kyi n ILE 159 Ca 0.18 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.54 1kyi n ILE 159 Cb 0.24 -0.41 -0.05 0.00 -0.71 0.00 0.00 39.64 38.71 1kyi n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kyi n VAL 161 N 3.16 0.08 -1.15 0.00 0.24 -1.26 -3.01 118.33 116.39 1kyi n VAL 161 Ca -0.06 -0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.19 1kyi n VAL 161 Cb 0.51 -0.01 0.13 0.00 -1.47 0.00 0.00 33.84 33.00 1kyi n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1kyi n PHE 162 N -0.33 0.00 -3.89 6.34 3.72 -1.26 -4.99 117.46 117.06 1kyi n PHE 162 Ca 0.15 -0.94 -0.15 0.00 -0.05 0.00 0.00 57.45 56.46 1kyi n PHE 162 Cb 0.18 -0.15 -0.15 0.00 -0.94 0.00 0.00 39.48 38.42 1kyi n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1kyi s THR 163 N -2.68 0.08 0.54 4.37 2.01 -1.16 -3.95 115.64 114.83 1kyi s THR 163 Ca 0.30 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.41 1kyi s THR 163 Cb 0.26 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.65 1kyi s THR 163 CO 0.03 0.08 0.25 0.54 -0.69 0.00 0.00 174.62 174.83 1kyi s ASN 164 N 0.64 4.43 -0.12 3.53 6.03 -1.26 -4.61 114.94 123.58 1kyi s ASN 164 Ca -0.06 -1.44 0.14 0.00 -1.03 0.00 0.00 52.86 50.48 1kyi s ASN 164 Cb -0.09 0.53 0.61 0.00 -3.03 0.00 0.00 41.25 39.28 1kyi s ASN 164 CO -0.01 -1.04 1.49 0.35 -2.03 0.00 0.00 177.10 175.85 1kyi n THR 165 N -1.59 1.67 -3.42 0.54 -2.24 -1.26 -4.66 114.28 103.32 1kyi n THR 165 Ca -0.09 -1.00 -0.43 0.00 -2.27 0.00 0.00 64.05 60.25 1kyi n THR 165 Cb 0.65 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1kyi n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1kyi s ASN 166 N -0.78 6.90 0.31 3.42 3.84 -1.26 -5.04 114.94 122.33 1kyi s ASN 166 Ca 0.43 -3.50 0.08 0.00 0.21 0.00 0.00 52.86 50.08 1kyi s ASN 166 Cb 0.29 -2.13 -0.04 0.00 -0.55 0.00 0.00 41.25 38.81 1kyi s ASN 166 CO 0.19 -0.30 0.11 0.72 -2.79 0.00 0.00 177.10 175.03 1kyi s PHE 167 N -1.08 2.76 -0.18 0.43 -0.12 -1.26 -1.26 117.98 117.27 1kyi s PHE 167 Ca 0.28 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 1kyi s PHE 167 Cb -0.10 -1.49 0.03 0.00 -0.63 0.00 0.00 43.02 40.83 1kyi s PHE 167 CO -0.09 0.43 -0.16 0.95 -0.05 0.00 0.00 175.22 176.31 1kyi s THR 168 N -2.36 1.88 -0.05 -4.49 -4.23 -0.61 -4.98 115.64 100.79 1kyi s THR 168 Ca 0.35 -0.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1kyi s THR 168 Cb -0.04 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.98 1kyi s THR 168 CO 0.22 0.39 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.92 1kyi s ILE 169 N 1.34 3.08 0.00 2.99 1.01 -1.26 -3.12 121.20 125.23 1kyi s ILE 169 Ca 0.02 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1kyi s ILE 169 Cb -0.14 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1kyi s ILE 169 CO -0.11 0.59 -0.17 -1.61 0.00 0.00 0.00 174.94 173.64 1kyi s GLU 170 N -0.68 1.32 0.11 2.79 0.41 -0.97 -5.00 118.70 116.68 1kyi s GLU 170 Ca 0.10 -0.69 0.01 0.00 -0.41 0.00 0.00 54.97 53.98 1kyi s GLU 170 Cb -0.11 -1.32 -0.04 0.00 -1.78 0.00 0.00 34.13 30.88 1kyi s GLU 170 CO 0.01 0.35 -0.03 -1.83 -0.49 0.00 0.00 175.26 173.27 1kyi s GLU 171 N -0.64 0.85 0.02 1.61 -1.05 -1.26 -0.87 118.70 117.35 1kyi s GLU 171 Ca 0.06 -1.36 0.04 0.00 -0.15 0.00 0.00 54.97 53.56 1kyi s GLU 171 Cb -0.07 -0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.52 1kyi s GLU 171 CO 0.00 -0.08 -0.13 -0.51 0.95 0.00 0.00 175.26 175.49 1kyi s LEU 172 N -3.04 2.11 0.00 1.83 1.43 -0.21 -5.00 118.68 115.79 1kyi s LEU 172 Ca 0.14 -0.35 0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1kyi s LEU 172 Cb 0.06 -0.60 1.10 0.00 0.03 0.00 0.00 46.19 46.79 1kyi s LEU 172 CO -0.04 0.08 1.50 -0.81 0.23 0.00 0.00 176.35 177.31