#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 -0.27 -0.17 12.58 2.01 -1.26 -1.04 115.64 127.48 1kyi s THR 2 Ca 0.00 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1kyi s THR 2 Cb 0.00 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1kyi s THR 2 CO 0.00 -0.13 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.02 1kyi s ILE 3 N 2.29 1.78 0.05 1.82 -1.09 -0.44 -2.84 121.20 122.77 1kyi s ILE 3 Ca 0.05 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.65 1kyi s ILE 3 Cb -0.15 -1.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 1kyi s ILE 3 CO -0.10 0.41 -0.12 0.54 -1.23 0.00 0.00 174.94 174.44 1kyi s VAL 4 N 1.38 0.91 -0.09 2.92 0.11 -0.56 -0.43 120.40 124.63 1kyi s VAL 4 Ca 0.03 -1.09 -0.02 0.00 -2.93 0.00 0.00 61.98 57.97 1kyi s VAL 4 Cb -0.14 -0.88 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1kyi s VAL 4 CO -0.11 -0.19 0.02 -0.55 -3.33 0.00 0.00 175.10 170.95 1kyi s SER 5 N -1.43 1.79 0.14 3.54 0.15 0.32 -0.92 113.70 117.28 1kyi s SER 5 Ca -0.03 -0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.48 1kyi s SER 5 Cb -0.09 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 1kyi s SER 5 CO 0.01 -0.23 -0.04 -0.69 1.20 0.00 0.00 173.24 173.49 1kyi s VAL 6 N 1.99 3.58 -0.21 4.45 1.01 -1.13 -1.33 120.40 128.77 1kyi s VAL 6 Ca 0.04 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.65 1kyi s VAL 6 Cb -0.13 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.57 1kyi s VAL 6 CO -0.06 -0.01 0.05 -0.60 0.00 0.00 0.00 175.10 174.48 1kyi s ARG 7 N -2.60 0.61 -0.11 2.72 3.52 -1.21 -1.69 118.95 120.18 1kyi s ARG 7 Ca 0.25 -0.46 -0.05 0.00 -0.13 0.00 0.00 55.73 55.34 1kyi s ARG 7 Cb -0.10 -2.06 0.05 0.00 -1.56 0.00 0.00 34.95 31.28 1kyi s ARG 7 CO 0.17 -0.68 0.25 1.03 -0.81 0.00 0.00 175.30 175.26 1kyi s ARG 8 N 1.86 0.20 -0.90 5.12 1.81 -0.82 -4.93 118.95 121.30 1kyi s ARG 8 Ca 0.00 0.57 -0.04 0.00 -1.72 0.00 0.00 55.73 54.55 1kyi s ARG 8 Cb -0.17 -0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.18 1kyi s ARG 8 CO -0.10 -0.18 0.78 0.09 -0.68 0.00 0.00 175.30 175.20 1kyi n ASN 9 N 4.40 -4.75 -1.83 0.23 3.02 -1.26 -2.86 115.26 112.22 1kyi n ASN 9 Ca -0.22 -0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 53.57 1kyi n ASN 9 Cb 0.53 -4.36 -0.06 0.00 -0.61 0.00 0.00 39.78 35.27 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 1.11 3.40 7.41 0.00 -1.26 -4.96 105.19 109.66 1kyi n GLY 10 Ca -0.11 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 -4.08 2.76 -0.22 1.61 -1.52 -1.13 -4.53 119.66 112.54 1kyi s GLN 11 Ca 0.00 -0.74 -0.01 0.00 -1.95 0.00 0.00 55.36 52.66 1kyi s GLN 11 Cb 0.00 -2.40 0.06 0.00 -0.22 0.00 0.00 33.01 30.46 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 -0.29 1.13 0.08 1.09 1.01 -0.98 -1.94 120.40 120.50 1kyi s VAL 12 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1kyi s VAL 12 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1kyi s VAL 12 CO 0.03 -0.15 -0.07 -0.69 0.00 0.00 0.00 175.10 174.21 1kyi s VAL 13 N 1.58 3.55 -0.23 2.92 1.01 -0.68 -1.00 120.40 127.54 1kyi s VAL 13 Ca -0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 1kyi s VAL 13 Cb -0.18 -2.65 0.10 0.00 0.00 0.00 0.00 36.38 33.65 1kyi s VAL 13 CO -0.07 0.16 0.20 -0.69 0.00 0.00 0.00 175.10 174.70 1kyi s VAL 14 N -1.20 -0.25 0.35 2.92 1.01 0.24 -2.84 120.40 120.63 1kyi s VAL 14 Ca 0.22 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1kyi s VAL 14 Cb -0.11 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1kyi s VAL 14 CO 0.14 -0.38 0.20 -0.83 0.00 0.00 0.00 175.10 174.24 1kyi s GLY 15 N 2.26 1.95 -0.23 4.51 0.00 -0.10 -2.37 107.32 113.33 1kyi s GLY 15 Ca 0.07 -1.81 -0.28 0.00 0.00 0.00 0.00 44.72 42.70 1kyi s GLY 15 CO -0.21 -1.72 1.14 -0.32 0.00 0.00 0.00 173.10 171.99 1kyi s GLY 16 N -3.91 -0.08 0.00 0.20 0.00 -1.21 -1.50 107.32 100.81 1kyi s GLY 16 Ca 0.40 2.55 0.00 0.00 0.00 0.00 0.00 44.72 47.67 1kyi s GLY 16 CO 0.24 1.37 0.00 2.09 0.00 0.00 0.00 173.10 176.80 1kyi n ASP 17 N 1.18 -0.33 -2.75 1.64 5.75 -1.13 -1.37 116.55 119.54 1kyi n ASP 17 Ca -0.09 -0.31 -0.04 0.00 -0.01 0.00 0.00 54.79 54.34 1kyi n ASP 17 Cb 0.57 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.71 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 3.29 1.89 3.28 6.12 0.00 0.11 -4.19 105.19 115.69 1kyi n GLY 18 Ca 0.00 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.57 2.71 -0.37 1.61 0.74 -1.26 -1.47 119.66 118.04 1kyi s GLN 19 Ca 0.28 -1.12 -0.21 0.00 0.05 0.00 0.00 55.36 54.36 1kyi s GLN 19 Cb 0.37 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 31.05 1kyi s GLN 19 CO -0.01 -0.62 0.67 0.08 -0.55 0.00 0.00 175.29 174.86 1kyi s VAL 20 N 1.42 4.84 -0.13 1.34 1.01 0.27 -4.77 120.40 124.38 1kyi s VAL 20 Ca -0.01 0.57 -0.07 0.00 0.00 0.00 0.00 61.98 62.47 1kyi s VAL 20 Cb -0.19 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1kyi s VAL 20 CO 0.03 -0.40 0.12 -0.44 0.00 0.00 0.00 175.10 174.41 1kyi s SER 21 N 1.85 6.23 -0.20 3.32 0.01 -1.26 -1.53 113.70 122.12 1kyi s SER 21 Ca 0.26 0.40 -0.00 0.00 1.31 0.00 0.00 55.95 57.92 1kyi s SER 21 Cb -0.14 -2.00 0.05 0.00 0.21 0.00 0.00 66.02 64.14 1kyi s SER 21 CO 0.16 0.38 -0.04 -0.22 0.41 0.00 0.00 173.24 173.93 1kyi s LEU 22 N -0.85 1.90 0.00 2.44 2.96 -0.44 -4.92 118.68 119.77 1kyi s LEU 22 Ca 0.14 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 1kyi s LEU 22 Cb -0.12 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.61 1kyi s LEU 22 CO 0.03 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.45 1kyi n GLY 23 N 4.83 2.91 1.21 7.98 0.00 -1.26 -1.07 105.19 119.79 1kyi n GLY 23 Ca -0.12 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 4.13 4.22 -4.69 1.61 3.02 -1.26 -4.95 115.26 117.33 1kyi n ASN 24 Ca 0.00 -3.09 -0.23 0.00 -0.03 0.00 0.00 54.58 51.23 1kyi n ASN 24 Cb 0.00 -0.60 -0.07 0.00 -0.61 0.00 0.00 39.78 38.50 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 -2.88 3.53 -0.30 3.41 -4.23 -0.24 -5.11 115.64 109.83 1kyi s THR 25 Ca 0.46 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 59.12 1kyi s THR 25 Cb 0.37 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1kyi s THR 25 CO 0.10 -0.33 0.09 -0.69 -0.54 0.00 0.00 174.62 173.25 1kyi s VAL 26 N -2.31 4.01 -0.14 2.29 1.01 -1.26 -1.33 120.40 122.67 1kyi s VAL 26 Ca 0.33 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 1kyi s VAL 26 Cb -0.06 -3.08 -0.25 0.00 0.00 0.00 0.00 36.38 33.00 1kyi s VAL 26 CO 0.21 0.07 0.51 -0.03 0.00 0.00 0.00 175.10 175.86 1kyi h MET 27 N 8.24 0.12 -3.89 2.72 -1.53 -1.62 -3.47 114.93 115.51 1kyi h MET 27 Ca -0.31 -0.21 -0.31 0.00 -3.44 0.00 0.00 59.70 55.42 1kyi h MET 27 Cb 1.13 0.08 -0.31 0.00 -0.55 0.00 0.00 31.60 31.95 1kyi h MET 27 CO 0.60 1.10 -0.74 0.21 0.14 0.00 0.00 176.91 178.22 1kyi s LYS 28 N -2.39 0.27 -0.05 0.39 2.20 -1.18 -5.00 119.74 113.97 1kyi s LYS 28 Ca -0.22 -0.02 0.09 0.00 -0.36 0.00 0.00 55.97 55.46 1kyi s LYS 28 Cb 0.03 -0.35 0.19 0.00 -1.51 0.00 0.00 37.83 36.19 1kyi s LYS 28 CO 0.70 -0.03 1.13 0.41 -0.36 0.00 0.00 175.35 177.20 1kyi n GLY 29 N 3.56 3.55 0.01 5.54 0.00 -1.24 0.94 105.19 117.53 1kyi n GLY 29 Ca -0.20 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 3.85 0.00 1.61 0.23 -0.54 -4.44 115.26 115.42 1kyi n ASN 30 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1kyi n ASN 30 Cb 0.45 1.09 0.00 0.00 -2.08 0.00 0.00 39.78 39.24 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 -1.79 -0.54 -2.58 -2.53 0.00 -1.16 -4.72 120.51 107.19 1kyi n ALA 31 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1kyi n ALA 31 Cb 0.25 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 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 3.69 0.02 0.00 0.52 -1.26 -4.16 118.95 117.76 1kyi s ARG 32 Ca 0.00 0.27 0.22 0.00 -0.52 0.00 0.00 55.73 55.70 1kyi s ARG 32 Cb 0.00 -3.84 -0.10 0.00 0.52 0.00 0.00 34.95 31.53 1kyi s ARG 32 CO 0.00 -0.94 0.88 1.63 0.02 0.00 0.00 175.30 176.89 1kyi n LYS 33 N 6.58 0.31 -3.92 3.54 5.02 -1.26 -4.80 118.16 123.63 1kyi n LYS 33 Ca 0.04 -0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.93 1kyi n LYS 33 Cb 0.48 -1.56 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.23 3.10 0.33 -0.18 1.01 -1.26 -2.40 120.40 117.77 1kyi s VAL 34 Ca 0.02 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1kyi s VAL 34 Cb 0.15 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1kyi s VAL 34 CO 0.84 0.20 0.06 -0.13 0.00 0.00 0.00 175.10 176.08 1kyi s ARG 35 N 1.37 2.22 -0.08 2.72 1.81 0.57 -4.93 118.95 122.63 1kyi s ARG 35 Ca 0.01 -1.63 -0.03 0.00 -1.72 0.00 0.00 55.73 52.35 1kyi s ARG 35 Cb -0.16 -2.05 -0.04 0.00 -0.45 0.00 0.00 34.95 32.25 1kyi s ARG 35 CO -0.03 0.15 0.08 1.03 -0.68 0.00 0.00 175.30 175.84 1kyi s ARG 36 N -3.76 3.18 0.14 3.54 0.52 -1.26 -1.49 118.95 119.81 1kyi s ARG 36 Ca 0.36 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.31 1kyi s ARG 36 Cb -0.02 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1kyi s ARG 36 CO 0.21 0.72 -0.15 -0.51 0.02 0.00 0.00 175.30 175.58 1kyi s LEU 37 N -1.18 2.43 -1.00 2.53 1.43 0.85 -4.79 118.68 118.95 1kyi s LEU 37 Ca 0.17 -0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 52.33 1kyi s LEU 37 Cb -0.12 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1kyi s LEU 37 CO 0.06 -0.13 0.84 0.00 0.23 0.00 0.00 176.35 177.35 1kyi n TYR 38 N 0.35 -2.43 -1.34 0.29 4.19 -1.26 -1.38 117.16 115.58 1kyi n TYR 38 Ca -0.14 0.82 -0.13 0.00 3.31 0.00 0.00 57.90 61.77 1kyi n TYR 38 Cb 0.57 -3.92 -0.05 0.00 0.49 0.00 0.00 39.34 36.43 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 -2.80 -5.31 0.00 2.98 3.02 -1.26 -1.30 115.26 110.60 1kyi n ASN 39 Ca -0.07 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1kyi n ASN 39 Cb 0.59 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 0.10 1.02 0.08 7.41 0.00 -1.04 -5.00 105.19 107.76 1kyi n GLY 40 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 1.90 0.04 -5.59 1.61 6.56 0.02 -3.47 116.57 117.64 1kyi h LYS 41 Ca 0.00 -0.06 -0.47 0.00 -1.06 0.00 0.00 60.65 59.05 1kyi h LYS 41 Cb 0.00 0.02 -0.23 0.00 -0.57 0.00 0.00 32.23 31.45 1kyi h LYS 41 CO 0.00 0.83 -0.80 0.14 -2.06 0.00 0.00 179.45 177.56 1kyi s VAL 42 N -2.65 1.30 -0.12 0.50 -7.23 -0.48 -4.37 120.40 107.35 1kyi s VAL 42 Ca -0.03 -1.24 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 1kyi s VAL 42 Cb 0.09 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1kyi s VAL 42 CO 0.83 -0.06 0.07 -0.76 -0.31 0.00 0.00 175.10 174.86 1kyi s LEU 43 N -1.50 3.97 -0.03 1.32 1.43 0.32 -0.11 118.68 124.08 1kyi s LEU 43 Ca 0.02 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1kyi s LEU 43 Cb -0.09 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1kyi s LEU 43 CO 0.02 0.36 0.03 0.00 0.23 0.00 0.00 176.35 177.00 1kyi s ALA 44 N -0.75 0.21 -0.07 4.21 0.00 -0.56 -0.88 121.76 123.92 1kyi s ALA 44 Ca 0.12 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.35 1kyi s ALA 44 Cb -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1kyi s ALA 44 CO 0.03 -0.27 -0.24 0.20 0.00 0.00 0.00 175.76 175.48 1kyi s GLY 45 N 1.53 1.28 0.32 0.00 0.00 -0.03 -0.31 107.32 110.10 1kyi s GLY 45 Ca -0.03 -1.00 0.10 0.00 0.00 0.00 0.00 44.72 43.80 1kyi s GLY 45 CO -0.03 -0.52 -0.13 -0.11 0.00 0.00 0.00 173.10 172.31 1kyi s PHE 46 N 0.02 2.38 -0.20 1.90 -0.71 -1.01 -0.53 117.98 119.82 1kyi s PHE 46 Ca -0.09 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.14 1kyi s PHE 46 Cb -0.15 -1.23 0.06 0.00 -1.21 0.00 0.00 43.02 40.49 1kyi s PHE 46 CO 0.05 0.63 0.65 0.00 -1.34 0.00 0.00 175.22 175.22 1kyi s ALA 47 N -2.56 -1.63 0.00 1.99 0.00 -0.87 -4.93 121.76 113.76 1kyi s ALA 47 Ca 0.32 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1kyi s ALA 47 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1kyi s ALA 47 CO 0.16 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1kyi n GLY 48 N 2.35 0.77 2.02 0.00 0.00 -1.26 -1.20 105.19 107.86 1kyi n GLY 48 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.86 0.00 -0.02 0.00 -1.26 -4.12 105.19 95.93 1kyi n GLY 49 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.63 0.00 0.00 2.61 -2.24 -1.26 -3.04 114.28 110.98 1kyi n THR 50 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1kyi n THR 50 Cb 0.20 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 0.10 120.51 126.13 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 0.09 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 -0.23 -1.04 0.00 5.19 -1.83 0.25 116.42 118.75 1kyi h ASP 52 Ca 0.00 0.14 0.27 0.00 -0.62 0.00 0.00 57.03 56.82 1kyi h ASP 52 Cb 0.00 0.25 -0.08 0.00 0.18 0.00 0.00 39.33 39.67 1kyi h ASP 52 CO 0.00 -0.09 0.69 0.00 -3.12 0.00 0.00 179.24 176.71 1kyi h ALA 53 N 1.53 2.36 0.00 3.45 0.00 -0.26 -0.52 119.26 125.82 1kyi h ALA 53 Ca 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1kyi h ALA 53 Cb 0.49 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1kyi h ALA 53 CO -0.49 -0.75 -0.10 0.74 0.00 0.00 0.00 179.25 178.66 1kyi h PHE 54 N 0.33 0.00 -0.05 0.00 0.05 0.28 -3.15 116.94 114.40 1kyi h PHE 54 Ca 0.58 0.00 0.01 0.00 3.82 0.00 0.00 57.97 62.38 1kyi h PHE 54 Cb 1.59 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.53 1kyi h PHE 54 CO -0.00 0.75 0.14 1.79 -0.18 0.00 0.00 178.31 180.81 1kyi h THR 55 N -1.00 0.14 -0.01 -1.55 1.35 -0.62 0.44 112.91 111.67 1kyi h THR 55 Ca -0.02 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.60 1kyi h THR 55 Cb 0.75 0.87 0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1kyi h THR 55 CO -0.01 0.00 -0.96 0.25 -0.25 0.00 0.00 175.52 174.54 1kyi h LEU 56 N 0.00 0.65 0.01 3.87 5.85 -1.19 -2.53 115.31 121.99 1kyi h LEU 56 Ca 0.02 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 1kyi h LEU 56 Cb 0.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1kyi h LEU 56 CO -0.00 1.32 -0.01 0.15 -0.34 0.00 0.00 178.44 179.56 1kyi h PHE 57 N 0.29 -0.02 0.10 1.25 3.57 -0.15 -2.90 116.94 119.07 1kyi h PHE 57 Ca -0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1kyi h PHE 57 Cb 1.60 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 1kyi h PHE 57 CO 0.07 0.15 -0.10 0.93 -2.23 0.00 0.00 178.31 177.14 1kyi h GLU 58 N -0.19 -0.20 -0.33 1.11 4.39 -1.21 -2.47 114.58 115.68 1kyi h GLU 58 Ca -0.00 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.81 1kyi h GLU 58 Cb 0.18 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1kyi h GLU 58 CO 0.00 -0.14 0.37 -0.07 -1.16 0.00 0.00 179.01 178.02 1kyi h LEU 59 N -0.21 0.00 0.00 1.33 4.07 -1.43 0.39 115.31 119.45 1kyi h LEU 59 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1kyi h LEU 59 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1kyi h LEU 59 CO -0.03 0.00 -0.62 0.15 -1.08 0.00 0.00 178.44 176.86 1kyi h PHE 60 N 0.00 0.00 0.00 1.13 3.57 -1.24 -3.21 116.94 117.19 1kyi h PHE 60 Ca 0.16 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1kyi h PHE 60 Cb 0.90 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 1kyi h PHE 60 CO 0.00 0.00 -0.11 1.49 -2.23 0.00 0.00 178.31 177.46 1kyi h GLU 61 N 0.00 0.00 0.00 1.11 4.81 0.04 -2.58 114.58 117.96 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 0.91 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1kyi h GLU 61 CO 0.00 0.95 0.06 0.54 -0.73 0.00 0.00 179.01 179.83 1kyi n ARG 62 N -4.60 0.01 -0.01 1.92 1.74 -0.41 0.37 116.66 115.69 1kyi n ARG 62 Ca -0.11 0.46 0.09 0.00 -0.77 0.00 0.00 57.85 57.52 1kyi n ARG 62 Cb 0.47 -1.60 -0.13 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.53 0.70 -0.04 5.56 4.01 -1.21 -4.28 118.16 121.38 1kyi n LYS 63 Ca -0.00 -0.12 -0.22 0.00 -0.51 0.00 0.00 58.31 57.46 1kyi n LYS 63 Cb 0.06 -1.41 -0.13 0.00 -0.51 0.00 0.00 35.03 33.04 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 0.25 -4.26 -0.35 3.38 0.33 -3.25 115.31 111.41 1kyi h LEU 64 Ca 0.00 -0.77 -0.35 0.00 0.09 0.00 0.00 57.88 56.85 1kyi h LEU 64 Cb 0.73 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.28 1kyi h LEU 64 CO 0.00 1.70 0.01 -0.62 0.09 0.00 0.00 178.44 179.62 1kyi n GLU 65 N -3.90 2.20 0.00 1.13 1.02 -0.11 -1.52 120.64 119.46 1kyi n GLU 65 Ca -0.31 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 1kyi n GLU 65 Cb 0.89 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.66 0.00 -0.92 3.49 0.00 -1.25 -4.92 117.12 115.18 1kyi n MET 66 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 58.13 1kyi n MET 66 Cb 0.73 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.92 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 -2.31 3.17 -0.00 -0.85 -5.01 115.22 110.23 1kyi n HIS 67 Ca 0.00 -0.32 -0.18 0.00 -0.00 0.00 0.00 57.72 57.22 1kyi n HIS 67 Cb 0.32 0.26 -0.02 0.00 -0.00 0.00 0.00 29.99 30.56 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 -1.82 -1.45 -0.41 6.02 -1.09 -2.14 117.38 116.58 1kyi n GLN 68 Ca -0.12 0.89 -0.09 0.00 -0.01 0.00 0.00 57.00 57.67 1kyi n GLN 68 Cb 0.73 -5.49 -0.03 0.00 1.02 0.00 0.00 30.24 26.47 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 -0.87 0.82 3.56 1.08 0.00 -0.58 -4.94 105.19 104.26 1kyi n GLY 69 Ca -0.21 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.34 2.52 0.04 1.61 3.76 -0.91 -4.89 115.29 115.07 1kyi s HIS 70 Ca 0.00 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.06 1kyi s HIS 70 Cb 0.00 -4.68 -0.02 0.00 1.11 0.00 0.00 32.58 29.00 1kyi s HIS 70 CO 0.00 -1.94 1.09 -0.11 -0.85 0.00 0.00 174.74 172.94 1kyi n LEU 71 N 8.86 -0.24 -0.21 0.89 7.94 -1.26 -0.30 117.00 132.68 1kyi n LEU 71 Ca 0.30 1.15 0.02 0.00 -1.11 0.00 0.00 56.01 56.36 1kyi n LEU 71 Cb 0.51 -0.42 0.12 0.00 0.53 0.00 0.00 43.42 44.16 1kyi n LEU 71 CO 0.66 -0.70 0.90 0.25 -1.11 0.00 0.00 177.39 177.39 1kyi h LEU 72 N 0.00 -0.06 -0.30 -1.96 5.85 -1.98 0.25 115.31 117.12 1kyi h LEU 72 Ca 0.04 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1kyi h LEU 72 Cb 0.09 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1kyi h LEU 72 CO -0.21 -0.03 -0.01 0.11 -0.34 0.00 0.00 178.44 177.96 1kyi h LYS 73 N 0.23 0.54 -0.80 1.25 6.56 -1.77 -1.84 116.57 120.73 1kyi h LYS 73 Ca 0.34 -0.18 0.05 0.00 -1.06 0.00 0.00 60.65 59.80 1kyi h LYS 73 Cb 0.54 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.09 1kyi h LYS 73 CO -0.46 0.69 0.50 0.77 -2.06 0.00 0.00 179.45 178.89 1kyi h SER 74 N 0.33 0.80 0.56 0.86 0.02 0.12 0.17 113.55 116.42 1kyi h SER 74 Ca 0.08 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1kyi h SER 74 Cb 0.45 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1kyi h SER 74 CO 0.02 0.53 -0.47 0.00 -1.14 0.00 0.00 176.83 175.77 1kyi h ALA 75 N 1.36 -1.09 -0.50 3.77 0.00 -0.28 -1.73 119.26 120.79 1kyi h ALA 75 Ca 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1kyi h ALA 75 Cb 0.10 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1kyi h ALA 75 CO -0.15 -1.15 0.22 0.28 0.00 0.00 0.00 179.25 178.46 1kyi h VAL 76 N -1.01 1.18 -0.57 0.00 2.07 -1.03 0.10 116.25 116.99 1kyi h VAL 76 Ca -0.07 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1kyi h VAL 76 Cb 0.86 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1kyi h VAL 76 CO -0.01 0.21 0.24 -0.33 0.02 0.00 0.00 177.57 177.71 1kyi h GLU 77 N 0.71 0.82 -0.06 1.57 5.08 -0.49 0.10 114.58 122.30 1kyi h GLU 77 Ca 0.17 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1kyi h GLU 77 Cb 0.11 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1kyi h GLU 77 CO -0.02 0.66 -0.31 1.25 -1.00 0.00 0.00 179.01 179.59 1kyi h LEU 78 N 0.81 0.38 -0.49 1.33 5.85 -0.34 -3.22 115.31 119.63 1kyi h LEU 78 Ca 0.20 -0.65 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1kyi h LEU 78 Cb 0.14 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1kyi h LEU 78 CO -0.02 0.97 0.27 0.00 -0.34 0.00 0.00 178.44 179.32 1kyi h ALA 79 N 0.42 0.63 0.00 1.25 0.00 -0.57 -1.37 119.26 119.61 1kyi h ALA 79 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kyi h ALA 79 Cb 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1kyi h ALA 79 CO 0.06 -0.06 0.01 1.57 0.00 0.00 0.00 179.25 180.83 1kyi h LYS 80 N 0.53 0.00 0.00 0.00 5.09 -1.02 -0.77 116.57 120.40 1kyi h LYS 80 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.95 1kyi h LYS 80 Cb 0.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.41 1kyi h LYS 80 CO -0.13 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 176.98 1kyi n ASP 81 N -2.83 0.00 -0.03 7.07 10.43 -0.52 -3.09 116.55 127.58 1kyi n ASP 81 Ca -0.03 -0.77 -0.04 0.00 2.57 0.00 0.00 54.79 56.52 1kyi n ASP 81 Cb 0.07 -0.03 -0.04 0.00 1.84 0.00 0.00 41.12 42.96 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 -1.03 0.00 0.94 1.24 8.01 -0.31 -3.46 117.44 122.83 1kyi n TRP 82 Ca 0.20 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.39 1kyi n TRP 82 Cb 0.11 -0.29 0.01 0.00 -2.01 0.00 0.00 31.31 29.13 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 -2.43 1.10 -0.96 -0.99 1.74 -1.14 -4.62 116.66 109.37 1kyi n ARG 83 Ca -0.11 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 1kyi n ARG 83 Cb 0.67 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.09 0.00 -0.01 0.55 -2.24 -1.24 -5.04 114.28 106.39 1kyi n THR 84 Ca 0.01 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1kyi n THR 84 Cb 0.32 -0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.04 -3.02 3.42 5.19 -1.95 -3.39 116.42 116.64 1kyi h ASP 85 Ca 0.00 -0.55 -0.72 0.00 -0.62 0.00 0.00 57.03 55.14 1kyi h ASP 85 Cb 0.00 0.01 -0.21 0.00 0.18 0.00 0.00 39.33 39.31 1kyi h ASP 85 CO 0.00 0.55 0.14 -0.60 -3.12 0.00 0.00 179.24 176.21 1kyi s ARG 86 N -3.77 3.18 1.10 3.56 3.52 -1.26 -5.05 118.95 120.24 1kyi s ARG 86 Ca -0.16 -1.60 -0.14 0.00 -0.13 0.00 0.00 55.73 53.70 1kyi s ARG 86 Cb 0.01 -4.37 0.21 0.00 -1.56 0.00 0.00 34.95 29.24 1kyi s ARG 86 CO 0.64 -1.50 0.77 0.00 -0.81 0.00 0.00 175.30 174.41 1kyi n ALA 87 N 5.84 -2.80 -2.91 6.12 0.00 -1.26 -4.91 120.51 120.58 1kyi n ALA 87 Ca -0.03 -1.06 -0.33 0.00 0.00 0.00 0.00 53.44 52.03 1kyi n ALA 87 Cb 0.43 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 -3.85 5.49 0.00 0.00 0.00 -1.23 -5.01 117.00 112.40 1kyi n LEU 88 Ca 0.04 -5.52 0.00 0.00 0.00 0.00 0.00 56.01 50.53 1kyi n LEU 88 Cb 0.55 -0.83 0.00 0.00 0.00 0.00 0.00 43.42 43.14 1kyi n LEU 88 CO 0.54 2.17 0.00 -1.14 0.00 0.00 0.00 177.39 178.96 1kyi n ARG 89 N 0.08 0.00 -3.60 1.96 0.63 -1.26 -4.74 116.66 109.73 1kyi n ARG 89 Ca 0.36 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.26 1kyi n ARG 89 Cb 0.35 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 0.54 -0.16 -0.14 0.00 -1.26 -5.03 119.74 113.69 1kyi s LYS 90 Ca 0.00 1.17 -0.08 0.00 0.00 0.00 0.00 55.97 57.06 1kyi s LYS 90 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.29 1kyi s LYS 90 CO 0.00 -0.15 0.11 -0.51 0.00 0.00 0.00 175.35 174.79 1kyi s LEU 91 N 2.30 4.13 -1.41 2.77 1.02 -0.01 -5.00 118.68 122.47 1kyi s LEU 91 Ca -0.07 0.27 -0.09 0.00 0.02 0.00 0.00 54.13 54.26 1kyi s LEU 91 Cb -0.08 -2.03 0.07 0.00 0.02 0.00 0.00 46.19 44.16 1kyi s LEU 91 CO -0.18 0.27 2.36 -0.62 0.02 0.00 0.00 176.35 178.20 1kyi n GLU 92 N 2.90 3.77 -3.67 1.70 -0.58 -1.26 -4.22 120.64 119.28 1kyi n GLU 92 Ca -0.18 -3.00 -0.02 0.00 -0.42 0.00 0.00 57.16 53.55 1kyi n GLU 92 Cb 0.53 -2.88 -0.01 0.00 -0.57 0.00 0.00 31.44 28.51 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 0.94 -1.95 0.02 0.62 0.00 -1.26 -4.38 121.76 115.73 1kyi s ALA 93 Ca 0.53 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.88 1kyi s ALA 93 Cb 0.15 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1kyi s ALA 93 CO -0.06 -1.00 0.29 0.00 0.00 0.00 0.00 175.76 174.99 1kyi s MET 94 N -2.83 0.73 0.10 0.00 0.23 -0.34 -2.02 119.30 115.17 1kyi s MET 94 Ca 0.12 -0.38 0.10 0.00 -1.03 0.00 0.00 55.69 54.50 1kyi s MET 94 Cb 0.01 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.59 1kyi s MET 94 CO -0.02 -0.22 -0.26 -0.51 -2.03 0.00 0.00 175.02 171.99 1kyi s LEU 95 N -1.73 2.28 -0.22 0.18 1.02 0.14 -2.04 118.68 118.30 1kyi s LEU 95 Ca -0.09 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.36 1kyi s LEU 95 Cb -0.03 -1.19 0.03 0.00 0.02 0.00 0.00 46.19 45.02 1kyi s LEU 95 CO -0.00 0.18 -0.12 -0.63 0.02 0.00 0.00 176.35 175.80 1kyi s ILE 96 N -1.00 2.49 -0.01 -0.59 1.01 0.31 -0.67 121.20 122.73 1kyi s ILE 96 Ca 0.12 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 59.79 1kyi s ILE 96 Cb -0.10 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1kyi s ILE 96 CO 0.05 0.30 -0.25 0.68 0.00 0.00 0.00 174.94 175.71 1kyi s VAL 97 N 1.28 2.01 -0.27 2.92 -7.23 0.04 -0.85 120.40 118.30 1kyi s VAL 97 Ca 0.01 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 58.82 1kyi s VAL 97 Cb -0.16 -1.67 0.09 0.00 0.56 0.00 0.00 36.38 35.19 1kyi s VAL 97 CO -0.08 0.54 0.79 0.00 -0.31 0.00 0.00 175.10 176.04 1kyi s ALA 98 N -0.62 -1.86 0.06 1.32 0.00 -0.06 0.14 121.76 120.73 1kyi s ALA 98 Ca 0.10 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1kyi s ALA 98 Cb -0.10 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 1kyi s ALA 98 CO -0.01 -0.32 0.00 -0.40 0.00 0.00 0.00 175.76 175.04 1kyi n ASP 99 N 2.88 1.86 -0.25 0.00 3.85 -0.35 -0.52 116.55 124.01 1kyi n ASP 99 Ca -0.15 -1.28 0.10 0.00 -0.71 0.00 0.00 54.79 52.75 1kyi n ASP 99 Cb 0.56 0.07 0.36 0.00 -1.35 0.00 0.00 41.12 40.76 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 0.71 0.00 0.11 4.11 -1.94 -3.33 114.58 114.24 1kyi h GLU 100 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1kyi h GLU 100 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1kyi h GLU 100 CO 0.08 0.47 0.00 0.36 0.07 0.00 0.00 179.01 179.99 1kyi n LYS 101 N -4.53 0.00 -4.49 1.06 2.85 -1.26 -5.01 118.16 106.77 1kyi n LYS 101 Ca 0.15 0.40 -0.29 0.00 -1.05 0.00 0.00 58.31 57.51 1kyi n LYS 101 Cb 0.39 -0.96 -0.07 0.00 -0.65 0.00 0.00 35.03 33.74 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 -1.02 2.16 -0.04 -1.58 0.41 -1.25 -5.16 118.70 112.22 1kyi s GLU 102 Ca 0.00 -2.19 -0.03 0.00 -0.41 0.00 0.00 54.97 52.34 1kyi s GLU 102 Cb 0.00 -1.72 0.01 0.00 -1.78 0.00 0.00 34.13 30.65 1kyi s GLU 102 CO 0.00 -0.29 0.10 -1.54 -0.49 0.00 0.00 175.26 173.04 1kyi s SER 103 N -3.91 -0.09 0.31 -0.19 1.04 -1.26 -1.22 113.70 108.39 1kyi s SER 103 Ca 0.22 0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.90 1kyi s SER 103 Cb 0.03 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1kyi s SER 103 CO 0.12 -0.05 0.26 -0.76 0.98 0.00 0.00 173.24 173.79 1kyi s LEU 104 N 0.27 1.63 -0.08 2.42 1.43 0.36 -4.42 118.68 120.29 1kyi s LEU 104 Ca -0.02 -1.69 -0.03 0.00 -1.03 0.00 0.00 54.13 51.36 1kyi s LEU 104 Cb -0.03 0.55 0.04 0.00 0.03 0.00 0.00 46.19 46.79 1kyi s LEU 104 CO -0.01 -1.03 0.08 -0.51 0.23 0.00 0.00 176.35 175.11 1kyi s ILE 105 N -3.56 -0.13 -0.14 -0.59 2.07 -1.05 -0.78 121.20 117.03 1kyi s ILE 105 Ca 0.40 0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.92 1kyi s ILE 105 Cb 0.03 -0.28 -0.00 0.00 0.13 0.00 0.00 42.46 42.34 1kyi s ILE 105 CO 0.25 0.06 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.53 1kyi s ILE 106 N 2.18 2.50 -0.04 2.00 1.01 0.15 -1.13 121.20 127.87 1kyi s ILE 106 Ca 0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1kyi s ILE 106 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1kyi s ILE 106 CO -0.05 0.53 0.09 0.42 0.00 0.00 0.00 174.94 175.93 1kyi s THR 107 N 0.63 4.90 -0.78 2.92 -4.23 -0.82 -0.68 115.64 117.59 1kyi s THR 107 Ca -0.09 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1kyi s THR 107 Cb -0.16 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1kyi s THR 107 CO 0.03 0.44 0.33 0.61 -0.54 0.00 0.00 174.62 175.49 1kyi n GLY 108 N 1.46 0.87 0.00 3.99 0.00 -0.85 -1.17 105.19 109.49 1kyi n GLY 108 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.34 0.00 0.00 -0.61 5.41 -1.26 -0.83 119.36 122.41 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 0.16 0.67 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 1.53 0.67 3.20 7.39 0.00 -0.31 -4.82 105.19 112.85 1kyi n GLY 110 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.81 -0.21 -0.08 1.61 -4.77 -1.23 -4.79 116.67 106.39 1kyi s ASP 111 Ca 0.00 0.26 0.05 0.00 -3.30 0.00 0.00 52.55 49.55 1kyi s ASP 111 Cb 0.00 0.42 -0.01 0.00 -1.09 0.00 0.00 42.92 42.24 1kyi s ASP 111 CO 0.00 -0.30 -0.24 -0.69 0.70 0.00 0.00 175.17 174.64 1kyi s VAL 112 N -0.75 2.13 -0.05 2.11 1.01 -1.26 -1.94 120.40 121.65 1kyi s VAL 112 Ca -0.08 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.92 1kyi s VAL 112 Cb -0.04 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 1kyi s VAL 112 CO 0.02 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.81 1kyi s VAL 113 N 0.08 1.60 0.06 2.92 1.01 -0.28 -5.00 120.40 120.78 1kyi s VAL 113 Ca -0.11 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 1kyi s VAL 113 Cb -0.16 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1kyi s VAL 113 CO 0.06 0.46 0.34 -1.10 0.00 0.00 0.00 175.10 174.85 1kyi s GLN 114 N 0.04 3.66 1.23 2.72 -0.21 -1.26 -2.54 119.66 123.29 1kyi s GLN 114 Ca -0.05 0.02 -0.18 0.00 0.02 0.00 0.00 55.36 55.17 1kyi s GLN 114 Cb -0.13 -3.01 0.27 0.00 1.00 0.00 0.00 33.01 31.14 1kyi s GLN 114 CO 0.03 0.59 0.61 -2.30 -2.12 0.00 0.00 175.29 172.10 1kyi n PRO 115 N 0.88 -3.46 -3.48 2.91 -0.02 -1.26 -5.03 135.00 125.55 1kyi n PRO 115 Ca -0.09 -1.02 -0.19 0.00 -2.02 0.00 0.00 63.50 60.18 1kyi n PRO 115 Cb 0.52 -1.71 -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 -4.23 3.02 0.16 -0.52 1.03 -1.26 -4.92 118.70 111.98 1kyi s GLU 116 Ca 0.52 -1.09 0.05 0.00 0.03 0.00 0.00 54.97 54.48 1kyi s GLU 116 Cb -0.10 -2.75 0.49 0.00 -0.80 0.00 0.00 34.13 30.97 1kyi s GLU 116 CO 0.45 0.03 0.73 -0.85 -1.33 0.00 0.00 175.26 174.29 1kyi n GLU 117 N -1.62 -0.03 0.01 -4.83 0.00 -1.26 0.39 120.64 113.30 1kyi n GLU 117 Ca 0.01 0.66 0.08 0.00 0.00 0.00 0.00 57.16 57.91 1kyi n GLU 117 Cb 0.58 -1.12 0.34 0.00 0.00 0.00 0.00 31.44 31.24 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 -4.27 0.05 -3.33 -1.84 5.68 -1.26 -4.92 116.55 106.66 1kyi n ASP 118 Ca 0.14 0.51 -0.17 0.00 -0.50 0.00 0.00 54.79 54.78 1kyi n ASP 118 Cb 0.48 -0.52 0.08 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.56 -6.46 -4.98 0.11 1.13 0.16 -4.75 117.38 101.03 1kyi n GLN 119 Ca 0.04 0.81 -0.28 0.00 -1.94 0.00 0.00 57.00 55.62 1kyi n GLN 119 Cb 0.18 -5.71 -0.16 0.00 0.11 0.00 0.00 30.24 24.66 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 -3.34 1.66 -0.01 5.09 1.01 -1.26 -3.36 121.20 120.98 1kyi s ILE 120 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.90 1kyi s ILE 120 Cb -0.03 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 1kyi s ILE 120 CO 0.69 0.47 -0.06 -0.76 0.00 0.00 0.00 174.94 175.29 1kyi s LEU 121 N 0.05 1.89 -0.01 2.97 1.43 -0.44 -4.65 118.68 119.92 1kyi s LEU 121 Ca -0.06 -0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1kyi s LEU 121 Cb -0.13 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1kyi s LEU 121 CO 0.03 0.05 0.14 0.00 0.23 0.00 0.00 176.35 176.80 1kyi s ALA 122 N 0.03 -0.33 0.17 4.21 0.00 -1.25 0.12 121.76 124.71 1kyi s ALA 122 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1kyi s ALA 122 Cb -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1kyi s ALA 122 CO -0.00 -0.17 0.31 0.96 0.00 0.00 0.00 175.76 176.86 1kyi s ILE 123 N -0.98 0.06 0.00 0.00 -4.36 0.42 -4.85 121.20 111.50 1kyi s ILE 123 Ca -0.11 -1.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 1kyi s ILE 123 Cb -0.06 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.85 1kyi s ILE 123 CO 0.01 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.52 1kyi n GLY 124 N -0.23 0.95 0.23 6.27 0.00 -1.26 -1.33 105.19 109.81 1kyi n GLY 124 Ca -0.08 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 0.03 0.00 1.61 4.64 -1.87 0.37 113.55 118.33 1kyi h SER 125 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1kyi h SER 125 Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1kyi h SER 125 CO 0.00 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 1kyi n GLY 126 N -1.32 -0.76 0.00 -0.77 0.00 -0.21 -4.52 105.19 97.62 1kyi n GLY 126 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.43 -2.23 0.42 -0.02 0.00 0.13 -2.13 105.19 101.79 1kyi n GLY 127 Ca 0.12 0.48 0.22 0.00 0.00 0.00 0.00 46.02 46.84 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 0.78 115.58 118.32 1kyi h ASN 128 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1kyi h ASN 128 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1kyi h ASN 128 CO 0.00 0.00 -0.07 1.88 -1.65 0.00 0.00 177.43 177.59 1kyi h TYR 129 N 0.00 0.47 -0.35 1.19 0.99 -1.73 -0.30 116.97 117.23 1kyi h TYR 129 Ca 0.26 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.82 1kyi h TYR 129 Cb 1.53 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 39.13 1kyi h TYR 129 CO 0.00 0.67 -0.03 0.00 -0.00 0.00 0.00 178.16 178.80 1kyi h ALA 130 N 0.73 0.48 -0.06 3.88 0.00 -0.65 -2.18 119.26 121.46 1kyi h ALA 130 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1kyi h ALA 130 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1kyi h ALA 130 CO 0.02 0.27 0.05 1.25 0.00 0.00 0.00 179.25 180.84 1kyi h LEU 131 N 0.44 0.00 0.16 0.00 5.85 -1.11 0.43 115.31 121.08 1kyi h LEU 131 Ca 0.10 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.51 1kyi h LEU 131 Cb 0.51 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.56 1kyi h LEU 131 CO 0.02 0.00 -1.33 0.28 -0.34 0.00 0.00 178.44 177.08 1kyi h SER 132 N 0.00 0.74 0.10 1.25 0.02 -0.57 -2.41 113.55 112.67 1kyi h SER 132 Ca 0.03 -0.74 -0.21 0.00 -0.84 0.00 0.00 61.79 60.02 1kyi h SER 132 Cb 0.12 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1kyi h SER 132 CO -0.00 1.57 -0.82 0.00 -1.14 0.00 0.00 176.83 176.44 1kyi h ALA 133 N 0.33 0.41 0.74 3.77 0.00 -0.77 -2.30 119.26 121.43 1kyi h ALA 133 Ca -0.20 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.05 1kyi h ALA 133 Cb 2.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1kyi h ALA 133 CO 0.24 0.74 -0.38 0.00 0.00 0.00 0.00 179.25 179.85 1kyi h ALA 134 N 0.71 -1.26 -0.84 0.00 0.00 -0.22 -0.11 119.26 117.53 1kyi h ALA 134 Ca -0.06 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1kyi h ALA 134 Cb 1.43 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 19.55 1kyi h ALA 134 CO 0.15 -1.19 0.41 0.00 0.00 0.00 0.00 179.25 178.62 1kyi h ARG 135 N -1.02 0.53 -0.31 0.00 3.08 -1.52 0.14 114.38 115.28 1kyi h ARG 135 Ca -0.10 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.99 1kyi h ARG 135 Cb 0.79 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 1kyi h ARG 135 CO 0.15 0.35 -0.16 0.00 -1.07 0.00 0.00 179.97 179.25 1kyi h ALA 136 N 1.59 0.08 0.59 0.04 0.00 -1.03 -1.88 119.26 118.66 1kyi h ALA 136 Ca 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1kyi h ALA 136 Cb 0.74 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1kyi h ALA 136 CO -0.40 -0.55 -0.29 -0.07 0.00 0.00 0.00 179.25 177.94 1kyi h LEU 137 N -0.11 -0.68 -0.84 0.00 4.07 0.82 -2.70 115.31 115.87 1kyi h LEU 137 Ca 0.16 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.33 1kyi h LEU 137 Cb 0.36 0.17 -0.14 0.00 1.08 0.00 0.00 40.66 42.13 1kyi h LEU 137 CO -0.38 -0.28 0.10 0.58 -1.08 0.00 0.00 178.44 177.38 1kyi h VAL 138 N -1.18 0.29 0.00 1.22 2.07 -0.78 0.59 116.25 118.45 1kyi h VAL 138 Ca -0.08 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1kyi h VAL 138 Cb 0.63 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1kyi h VAL 138 CO 0.13 0.02 0.00 -0.62 0.02 0.00 0.00 177.57 177.13 1kyi n GLU 139 N -5.32 0.20 0.00 1.57 1.02 -0.71 -4.21 120.64 113.20 1kyi n GLU 139 Ca 0.18 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1kyi n GLU 139 Cb 0.60 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.12 0.60 -3.96 1.62 3.02 0.49 -5.09 115.26 109.82 1kyi n ASN 140 Ca 0.05 -1.27 -0.13 0.00 -0.03 0.00 0.00 54.58 53.20 1kyi n ASN 140 Cb 0.38 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.27 0.00 -0.82 3.41 -1.32 0.18 -5.00 115.64 111.82 1kyi s THR 141 Ca 0.00 -1.93 0.18 0.00 -1.21 0.00 0.00 61.69 58.72 1kyi s THR 141 Cb 0.00 -2.48 -0.20 0.00 -1.51 0.00 0.00 72.50 68.31 1kyi s THR 141 CO 0.00 0.00 0.75 -0.62 -2.21 0.00 0.00 174.62 172.54 1kyi n GLU 142 N -0.37 1.00 -1.18 7.08 -0.58 -1.26 -4.72 120.64 120.60 1kyi n GLU 142 Ca 0.03 -0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.37 1kyi n GLU 142 Cb 0.65 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 30.15 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 -1.46 -1.91 -4.77 -4.62 4.77 -1.26 -4.92 117.00 102.83 1kyi n LEU 143 Ca 0.03 0.84 -0.31 0.00 -0.03 0.00 0.00 56.01 56.54 1kyi n LEU 143 Cb 0.29 -0.80 0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1kyi n LEU 143 CO 0.37 -3.23 0.70 -0.94 -1.33 0.00 0.00 177.39 172.96 1kyi s SER 144 N -0.88 4.62 0.60 -1.43 1.04 -1.26 -4.77 113.70 111.62 1kyi s SER 144 Ca 0.54 1.83 0.31 0.00 0.48 0.00 0.00 55.95 59.11 1kyi s SER 144 Cb -0.68 -2.52 1.87 0.00 0.10 0.00 0.00 66.02 64.79 1kyi s SER 144 CO 0.53 -1.96 2.24 0.00 0.98 0.00 0.00 173.24 175.03 1kyi h ALA 145 N -0.98 1.51 0.12 5.32 0.00 -1.91 -0.56 119.26 122.76 1kyi h ALA 145 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1kyi h ALA 145 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1kyi h ALA 145 CO 0.52 -0.06 -0.06 1.25 0.00 0.00 0.00 179.25 180.90 1kyi h HIS 146 N 0.00 -0.14 -0.59 0.00 -0.00 -1.90 -2.28 115.15 110.23 1kyi h HIS 146 Ca 0.02 -0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.51 1kyi h HIS 146 Cb 0.11 0.05 -0.10 0.00 -0.00 0.00 0.00 27.41 27.46 1kyi h HIS 146 CO 0.00 0.29 -0.03 0.93 -0.00 0.00 0.00 177.93 179.12 1kyi h GLU 147 N -0.93 0.09 0.22 5.26 5.08 -1.77 0.92 114.58 123.44 1kyi h GLU 147 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1kyi h GLU 147 Cb 0.50 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1kyi h GLU 147 CO 0.03 0.06 -0.23 0.82 -1.00 0.00 0.00 179.01 178.69 1kyi h ILE 148 N 0.09 0.50 -0.67 3.13 2.04 -1.20 0.19 117.51 121.59 1kyi h ILE 148 Ca 0.30 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.26 1kyi h ILE 148 Cb 0.48 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1kyi h ILE 148 CO -0.53 0.00 0.30 0.58 0.00 0.00 0.00 178.15 178.50 1kyi h VAL 149 N -0.48 0.81 0.50 1.67 2.07 -0.73 0.42 116.25 120.50 1kyi h VAL 149 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1kyi h VAL 149 Cb 0.46 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1kyi h VAL 149 CO -0.06 0.09 -0.37 -0.08 0.02 0.00 0.00 177.57 177.17 1kyi h GLU 150 N 0.52 -0.82 0.15 1.57 4.22 -0.43 -0.91 114.58 118.89 1kyi h GLU 150 Ca 0.33 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.83 1kyi h GLU 150 Cb 0.38 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1kyi h GLU 150 CO -0.28 -0.55 -0.15 0.87 -2.18 0.00 0.00 179.01 176.72 1kyi h LYS 151 N -0.85 -0.32 -0.33 1.92 1.79 -0.02 -2.83 116.57 115.93 1kyi h LYS 151 Ca -0.05 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1kyi h LYS 151 Cb 0.72 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 1kyi h LYS 151 CO 0.01 -0.21 0.23 0.77 -1.08 0.00 0.00 179.45 179.17 1kyi h SER 152 N -0.33 0.12 -0.27 0.86 0.02 -0.14 -2.42 113.55 111.39 1kyi h SER 152 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1kyi h SER 152 Cb 0.31 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1kyi h SER 152 CO -0.04 0.08 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.47 1kyi h LEU 153 N 0.13 0.63 -0.25 5.07 3.38 -0.91 -2.72 115.31 120.64 1kyi h LEU 153 Ca 0.15 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1kyi h LEU 153 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1kyi h LEU 153 CO -0.02 0.94 0.12 -0.09 0.09 0.00 0.00 178.44 179.47 1kyi h ARG 154 N 0.34 0.37 -0.91 1.13 2.43 -1.33 -1.04 114.38 115.36 1kyi h ARG 154 Ca 0.05 -0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.36 1kyi h ARG 154 Cb 0.72 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.14 1kyi h ARG 154 CO 0.05 0.38 0.60 0.82 -1.51 0.00 0.00 179.97 180.31 1kyi h ILE 155 N 0.27 0.69 0.00 1.20 5.03 -1.43 0.07 117.51 123.35 1kyi h ILE 155 Ca 0.09 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1kyi h ILE 155 Cb 0.13 0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 1kyi h ILE 155 CO -0.01 0.09 -0.33 0.00 -0.68 0.00 0.00 178.15 177.21 1kyi h ALA 156 N 1.61 0.82 0.00 1.87 0.00 -1.00 -3.24 119.26 119.33 1kyi h ALA 156 Ca 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1kyi h ALA 156 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1kyi h ALA 156 CO -0.20 0.00 -0.34 0.78 0.00 0.00 0.00 179.25 179.48 1kyi h GLY 157 N 4.11 0.00 -0.30 0.00 0.00 0.26 -1.90 103.07 105.24 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 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1kyi n ASP 158 N -3.14 1.13 0.00 0.19 10.43 -0.95 -4.03 116.55 120.16 1kyi n ASP 158 Ca 0.02 -1.55 0.00 0.00 2.57 0.00 0.00 54.79 55.83 1kyi n ASP 158 Cb 0.65 -0.05 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 -0.06 0.00 -3.23 0.53 5.41 -1.20 -5.02 119.36 115.79 1kyi n ILE 159 Ca 0.17 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.53 1kyi n ILE 159 Cb 0.26 -0.48 -0.06 0.00 -0.71 0.00 0.00 39.64 38.65 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 3.04 0.00 -1.12 0.00 0.24 -1.26 -3.17 118.33 116.06 1kyi n VAL 161 Ca -0.07 -0.05 0.08 0.00 -2.04 0.00 0.00 64.34 62.27 1kyi n VAL 161 Cb 0.51 -0.29 0.19 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.84 0.39 -3.81 6.34 3.72 -1.26 -4.97 117.46 117.03 1kyi n PHE 162 Ca 0.21 -1.05 -0.14 0.00 -0.05 0.00 0.00 57.45 56.43 1kyi n PHE 162 Cb 0.19 -0.24 -0.15 0.00 -0.94 0.00 0.00 39.48 38.34 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 -2.92 -0.03 0.43 4.37 2.01 -1.19 -3.93 115.64 114.38 1kyi s THR 163 Ca 0.37 0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.51 1kyi s THR 163 Cb 0.32 -0.08 0.02 0.00 0.01 0.00 0.00 72.50 72.77 1kyi s THR 163 CO 0.04 0.05 0.19 -0.46 -0.69 0.00 0.00 174.62 173.75 1kyi n ASN 164 N 3.72 2.74 -1.47 3.53 2.04 -1.26 -4.60 115.26 119.95 1kyi n ASN 164 Ca -0.21 -2.66 0.08 0.00 -0.44 0.00 0.00 54.58 51.34 1kyi n ASN 164 Cb 0.54 0.11 0.32 0.00 -2.53 0.00 0.00 39.78 38.22 1kyi n ASN 164 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1kyi n THR 165 N -1.33 1.73 -3.45 5.53 -2.24 -1.26 -4.66 114.28 108.60 1kyi n THR 165 Ca -0.08 -1.05 -0.42 0.00 -2.27 0.00 0.00 64.05 60.23 1kyi n THR 165 Cb 0.52 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.80 6.72 0.32 3.42 3.84 -1.26 -5.04 114.94 122.14 1kyi s ASN 166 Ca 0.45 -3.48 0.08 0.00 0.21 0.00 0.00 52.86 50.12 1kyi s ASN 166 Cb 0.30 -2.10 -0.04 0.00 -0.55 0.00 0.00 41.25 38.86 1kyi s ASN 166 CO 0.20 -0.30 0.12 0.72 -2.79 0.00 0.00 177.10 175.05 1kyi s PHE 167 N -1.04 2.74 -0.18 0.43 -0.12 -1.26 -0.71 117.98 117.83 1kyi s PHE 167 Ca 0.27 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.83 1kyi s PHE 167 Cb -0.10 -1.53 0.03 0.00 -0.63 0.00 0.00 43.02 40.79 1kyi s PHE 167 CO -0.09 0.41 -0.15 0.95 -0.05 0.00 0.00 175.22 176.28 1kyi s THR 168 N -2.38 1.81 -0.06 -4.49 -4.23 -0.47 -4.97 115.64 100.85 1kyi s THR 168 Ca 0.36 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 60.00 1kyi s THR 168 Cb -0.04 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 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 1.37 3.10 0.00 2.99 1.01 -1.26 -3.28 121.20 125.12 1kyi s ILE 169 Ca 0.03 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.03 1kyi s ILE 169 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1kyi s ILE 169 CO -0.11 0.59 -0.18 -1.61 0.00 0.00 0.00 174.94 173.63 1kyi s GLU 170 N -0.67 1.36 0.10 2.79 0.41 -1.00 -4.99 118.70 116.71 1kyi s GLU 170 Ca 0.10 -0.69 0.02 0.00 -0.41 0.00 0.00 54.97 53.98 1kyi s GLU 170 Cb -0.11 -1.35 -0.04 0.00 -1.78 0.00 0.00 34.13 30.84 1kyi s GLU 170 CO 0.01 0.36 -0.06 -1.83 -0.49 0.00 0.00 175.26 173.26 1kyi s GLU 171 N -0.62 0.86 -0.00 1.61 -1.05 -1.26 -0.59 118.70 117.65 1kyi s GLU 171 Ca 0.06 -1.35 0.04 0.00 -0.15 0.00 0.00 54.97 53.57 1kyi s GLU 171 Cb -0.07 -0.19 -0.01 0.00 -0.44 0.00 0.00 34.13 33.42 1kyi s GLU 171 CO -0.00 -0.04 -0.14 -0.51 0.95 0.00 0.00 175.26 175.53 1kyi s LEU 172 N -3.05 2.05 0.00 1.83 1.43 -0.17 -5.00 118.68 115.76 1kyi s LEU 172 Ca 0.13 -0.28 0.26 0.00 -1.03 0.00 0.00 54.13 53.21 1kyi s LEU 172 Cb 0.05 -0.67 1.57 0.00 0.03 0.00 0.00 46.19 47.17 1kyi s LEU 172 CO -0.04 0.14 1.92 -0.81 0.23 0.00 0.00 176.35 177.80