#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 -0.21 -0.07 12.58 2.01 -1.26 -1.03 115.64 127.66 1kyi s THR 2 Ca 0.00 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1kyi s THR 2 Cb 0.00 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.24 1kyi s THR 2 CO 0.00 0.12 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.31 1kyi s ILE 3 N 2.25 1.04 0.07 1.82 1.09 -0.32 -2.76 121.20 124.39 1kyi s ILE 3 Ca 0.04 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.21 1kyi s ILE 3 Cb -0.12 -0.98 -0.03 0.00 -1.06 0.00 0.00 42.46 40.27 1kyi s ILE 3 CO -0.05 0.34 -0.08 0.54 -0.10 0.00 0.00 174.94 175.59 1kyi s VAL 4 N 0.88 0.64 -0.05 2.92 0.11 -0.37 -0.21 120.40 124.32 1kyi s VAL 4 Ca -0.11 -1.50 -0.03 0.00 -2.93 0.00 0.00 61.98 57.42 1kyi s VAL 4 Cb -0.15 -1.14 0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1kyi s VAL 4 CO 0.01 -0.61 0.12 -0.55 -3.33 0.00 0.00 175.10 170.75 1kyi s SER 5 N -2.28 -0.09 0.03 3.54 0.15 0.20 -1.34 113.70 113.91 1kyi s SER 5 Ca 0.01 0.25 0.07 0.00 0.70 0.00 0.00 55.95 56.98 1kyi s SER 5 Cb -0.03 0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 1kyi s SER 5 CO -0.02 -0.12 -0.22 -0.69 1.20 0.00 0.00 173.24 173.40 1kyi s VAL 6 N 0.90 1.73 -0.12 4.45 1.01 -0.79 -1.62 120.40 125.96 1kyi s VAL 6 Ca -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.75 1kyi s VAL 6 Cb -0.09 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1kyi s VAL 6 CO -0.04 0.28 -0.11 -0.60 0.00 0.00 0.00 175.10 174.63 1kyi s ARG 7 N -1.04 1.89 -0.28 2.72 3.52 -1.22 -1.15 118.95 123.38 1kyi s ARG 7 Ca 0.08 -0.41 -0.16 0.00 -0.13 0.00 0.00 55.73 55.11 1kyi s ARG 7 Cb -0.09 -1.78 0.09 0.00 -1.56 0.00 0.00 34.95 31.60 1kyi s ARG 7 CO 0.01 -0.20 0.71 0.50 -0.81 0.00 0.00 175.30 175.51 1kyi s ARG 8 N 1.44 0.69 -0.75 5.12 3.52 -0.45 -4.89 118.95 123.63 1kyi s ARG 8 Ca 0.02 1.20 -0.04 0.00 -0.13 0.00 0.00 55.73 56.77 1kyi s ARG 8 Cb -0.13 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1kyi s ARG 8 CO -0.07 -0.15 0.65 0.09 -0.81 0.00 0.00 175.30 175.01 1kyi n ASN 9 N 4.31 -4.06 -0.67 -2.12 4.13 -1.26 -2.93 115.26 112.66 1kyi n ASN 9 Ca -0.20 -0.31 -0.09 0.00 1.68 0.00 0.00 54.58 55.67 1kyi n ASN 9 Cb 0.59 -3.05 -0.04 0.00 -1.54 0.00 0.00 39.78 35.74 1kyi n ASN 9 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kyi n GLY 10 N -1.30 1.04 3.37 7.41 0.00 -1.26 -5.00 105.19 109.44 1kyi n GLY 10 Ca -0.02 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.58 2.23 -0.08 1.61 -1.52 -1.15 -4.87 119.66 113.29 1kyi s GLN 11 Ca 0.00 -0.86 0.01 0.00 -1.95 0.00 0.00 55.36 52.56 1kyi s GLN 11 Cb 0.00 -2.15 0.02 0.00 -0.22 0.00 0.00 33.01 30.66 1kyi s GLN 11 CO 0.00 0.58 -0.10 0.08 -0.25 0.00 0.00 175.29 175.60 1kyi s VAL 12 N -0.66 1.05 -0.02 1.09 1.01 -1.25 -1.34 120.40 120.29 1kyi s VAL 12 Ca 0.11 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1kyi s VAL 12 Cb -0.10 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1kyi s VAL 12 CO -0.00 0.35 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 1kyi s VAL 13 N 1.12 1.35 -0.09 2.92 1.01 -0.30 0.34 120.40 126.75 1kyi s VAL 13 Ca -0.06 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1kyi s VAL 13 Cb -0.14 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1kyi s VAL 13 CO -0.02 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.68 1kyi s VAL 14 N -0.35 1.06 0.07 2.92 1.01 0.82 -1.88 120.40 124.06 1kyi s VAL 14 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1kyi s VAL 14 Cb -0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1kyi s VAL 14 CO -0.00 0.35 -0.04 -0.83 0.00 0.00 0.00 175.10 174.58 1kyi s GLY 15 N 1.15 0.62 0.06 4.51 0.00 -0.45 -0.83 107.32 112.38 1kyi s GLY 15 Ca -0.06 -1.28 -0.27 0.00 0.00 0.00 0.00 44.72 43.12 1kyi s GLY 15 CO -0.02 -1.38 0.80 -0.32 0.00 0.00 0.00 173.10 172.19 1kyi s GLY 16 N -2.98 -0.48 0.00 0.20 0.00 -1.04 -1.24 107.32 101.78 1kyi s GLY 16 Ca 0.10 0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1kyi s GLY 16 CO -0.07 0.25 0.00 2.09 0.00 0.00 0.00 173.10 175.36 1kyi n ASP 17 N -0.31 0.00 -2.72 1.64 5.75 -1.11 -0.66 116.55 119.14 1kyi n ASP 17 Ca -0.11 -0.95 -0.04 0.00 -0.01 0.00 0.00 54.79 53.68 1kyi n ASP 17 Cb 0.63 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.76 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 5.00 2.38 3.37 6.12 0.00 -0.56 -4.08 105.19 117.42 1kyi n GLY 18 Ca 0.00 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.70 2.86 -0.34 1.61 0.74 -1.26 -1.74 119.66 117.83 1kyi s GLN 19 Ca 0.30 -1.05 -0.18 0.00 0.05 0.00 0.00 55.36 54.48 1kyi s GLN 19 Cb 0.35 -3.67 -0.00 0.00 1.10 0.00 0.00 33.01 30.78 1kyi s GLN 19 CO -0.02 -0.66 0.52 0.08 -0.55 0.00 0.00 175.29 174.66 1kyi s VAL 20 N 1.54 5.01 -0.20 1.34 1.01 0.10 -4.75 120.40 124.45 1kyi s VAL 20 Ca 0.02 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1kyi s VAL 20 Cb -0.19 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1kyi s VAL 20 CO 0.06 -0.20 -0.07 -0.94 0.00 0.00 0.00 175.10 173.95 1kyi s SER 21 N 1.75 4.17 -0.47 3.32 1.04 -1.26 -1.57 113.70 120.66 1kyi s SER 21 Ca 0.19 -0.40 -0.14 0.00 0.48 0.00 0.00 55.95 56.08 1kyi s SER 21 Cb -0.15 -1.70 0.08 0.00 0.10 0.00 0.00 66.02 64.35 1kyi s SER 21 CO 0.13 0.02 0.39 -0.22 0.98 0.00 0.00 173.24 174.54 1kyi s LEU 22 N 1.25 5.64 0.00 2.42 2.96 -0.97 -4.93 118.68 125.06 1kyi s LEU 22 Ca 0.03 -1.45 0.00 0.00 -0.22 0.00 0.00 54.13 52.49 1kyi s LEU 22 Cb -0.14 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.40 1kyi s LEU 22 CO -0.03 -0.66 0.00 0.61 -1.32 0.00 0.00 176.35 174.95 1kyi n GLY 23 N 5.15 1.28 1.61 7.98 0.00 -1.26 -2.51 105.19 117.44 1kyi n GLY 23 Ca -0.12 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 4.20 5.16 -4.76 1.61 5.03 -1.26 -4.93 115.26 120.32 1kyi n ASN 24 Ca 0.00 -2.88 -0.24 0.00 0.87 0.00 0.00 54.58 52.33 1kyi n ASN 24 Cb 0.00 -0.63 -0.07 0.00 -1.02 0.00 0.00 39.78 38.06 1kyi n ASN 24 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1kyi s THR 25 N -2.65 2.39 -0.20 3.41 -4.23 -1.04 -5.12 115.64 108.20 1kyi s THR 25 Ca 0.51 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1kyi s THR 25 Cb 0.39 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1kyi s THR 25 CO 0.15 -0.01 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.37 1kyi s VAL 26 N -2.57 2.24 -0.15 2.29 1.01 -1.26 -2.28 120.40 119.68 1kyi s VAL 26 Ca 0.42 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 1kyi s VAL 26 Cb 0.03 -2.03 -0.25 0.00 0.00 0.00 0.00 36.38 34.13 1kyi s VAL 26 CO 0.23 0.41 0.58 -0.03 0.00 0.00 0.00 175.10 176.29 1kyi h MET 27 N 7.93 0.06 -4.47 2.72 -1.53 -1.64 -3.48 114.93 114.52 1kyi h MET 27 Ca -0.40 -0.11 -0.31 0.00 -3.44 0.00 0.00 59.70 55.44 1kyi h MET 27 Cb 1.12 0.04 -0.25 0.00 -0.55 0.00 0.00 31.60 31.96 1kyi h MET 27 CO 0.60 1.05 -0.75 0.21 0.14 0.00 0.00 176.91 178.17 1kyi s LYS 28 N -2.32 0.49 -0.01 0.39 2.20 -1.16 -5.00 119.74 114.34 1kyi s LYS 28 Ca -0.22 -0.47 0.06 0.00 -0.36 0.00 0.00 55.97 54.98 1kyi s LYS 28 Cb 0.01 -0.38 -0.09 0.00 -1.51 0.00 0.00 37.83 35.87 1kyi s LYS 28 CO 0.68 0.09 0.16 0.41 -0.36 0.00 0.00 175.35 176.33 1kyi n GLY 29 N 2.23 -0.10 2.10 5.54 0.00 -1.24 0.03 105.19 113.74 1kyi n GLY 29 Ca -0.18 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.57 3.86 -4.76 1.61 0.23 -1.12 -4.11 115.26 109.40 1kyi n ASN 30 Ca -0.01 -3.65 -0.39 0.00 -0.53 0.00 0.00 54.58 50.01 1kyi n ASN 30 Cb 0.14 -0.82 0.02 0.00 -2.08 0.00 0.00 39.78 37.04 1kyi n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1kyi s ALA 31 N -3.33 3.06 -0.71 -2.53 0.00 -0.71 -4.97 121.76 112.57 1kyi s ALA 31 Ca 0.56 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 1kyi s ALA 31 Cb 0.47 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 20.25 1kyi s ALA 31 CO 0.09 -1.07 0.63 1.03 0.00 0.00 0.00 175.76 176.44 1kyi s ARG 32 N -2.59 3.24 -0.00 0.00 0.52 -1.26 -4.12 118.95 114.73 1kyi s ARG 32 Ca 0.64 -2.23 0.06 0.00 -0.52 0.00 0.00 55.73 53.68 1kyi s ARG 32 Cb -0.39 -4.28 0.19 0.00 0.52 0.00 0.00 34.95 31.00 1kyi s ARG 32 CO 0.48 -1.28 1.14 1.63 0.02 0.00 0.00 175.30 177.29 1kyi n LYS 33 N 4.30 1.54 -3.86 3.54 5.02 -1.26 -4.73 118.16 122.71 1kyi n LYS 33 Ca 0.05 -0.78 -0.18 0.00 -2.02 0.00 0.00 58.31 55.37 1kyi n LYS 33 Cb 0.44 -1.21 -0.17 0.00 -0.02 0.00 0.00 35.03 34.08 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 -1.70 0.15 0.13 -0.18 1.01 -1.26 -1.55 120.40 117.00 1kyi s VAL 34 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1kyi s VAL 34 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1kyi s VAL 34 CO 0.09 0.17 0.00 -0.13 0.00 0.00 0.00 175.10 175.23 1kyi s ARG 35 N 1.34 0.93 -0.06 2.72 0.52 0.13 -4.96 118.95 119.57 1kyi s ARG 35 Ca -0.05 -1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 53.62 1kyi s ARG 35 Cb -0.13 -0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.27 1kyi s ARG 35 CO -0.02 -0.15 0.29 1.03 0.02 0.00 0.00 175.30 176.46 1kyi s ARG 36 N -3.95 3.76 0.39 3.54 0.52 -1.26 -1.29 118.95 120.66 1kyi s ARG 36 Ca 0.19 0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.62 1kyi s ARG 36 Cb 0.07 -3.23 -0.07 0.00 0.52 0.00 0.00 34.95 32.24 1kyi s ARG 36 CO -0.00 0.68 0.03 -0.51 0.02 0.00 0.00 175.30 175.52 1kyi s LEU 37 N -0.91 2.56 -0.68 2.53 1.43 0.51 -4.72 118.68 119.40 1kyi s LEU 37 Ca 0.19 -1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 51.76 1kyi s LEU 37 Cb -0.14 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.41 1kyi s LEU 37 CO 0.09 -0.56 0.60 0.00 0.23 0.00 0.00 176.35 176.71 1kyi n TYR 38 N -0.90 -2.17 -3.71 0.29 4.19 -1.26 -2.25 117.16 111.35 1kyi n TYR 38 Ca -0.05 0.90 -0.29 0.00 3.31 0.00 0.00 57.90 61.76 1kyi n TYR 38 Cb 0.67 -2.34 0.03 0.00 0.49 0.00 0.00 39.34 38.20 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 -1.76 -4.25 -0.63 2.98 3.02 -1.26 -1.82 115.26 111.54 1kyi n ASN 39 Ca -0.24 -0.99 -0.02 0.00 -0.03 0.00 0.00 54.58 53.30 1kyi n ASN 39 Cb 0.67 -3.45 -0.01 0.00 -0.61 0.00 0.00 39.78 36.39 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 -1.70 0.20 0.64 7.41 0.00 -0.96 -4.73 105.19 106.05 1kyi n GLY 40 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1kyi n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1kyi n LYS 41 N -0.63 1.85 -3.74 1.61 -0.00 -0.76 -4.85 118.16 111.65 1kyi n LYS 41 Ca -0.02 -1.27 -0.12 0.00 -0.00 0.00 0.00 58.31 56.90 1kyi n LYS 41 Cb 0.11 -1.43 -0.12 0.00 -0.00 0.00 0.00 35.03 33.58 1kyi n LYS 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1kyi s VAL 42 N -1.82 -0.02 0.01 0.58 0.11 -1.10 -4.27 120.40 113.88 1kyi s VAL 42 Ca 0.34 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.32 1kyi s VAL 42 Cb 0.19 -0.44 -0.06 0.00 -1.53 0.00 0.00 36.38 34.54 1kyi s VAL 42 CO 0.29 0.03 0.41 -0.76 -3.33 0.00 0.00 175.10 171.74 1kyi s LEU 43 N 0.86 4.47 -0.04 2.54 1.43 0.21 -0.36 118.68 127.80 1kyi s LEU 43 Ca -0.06 0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1kyi s LEU 43 Cb -0.07 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1kyi s LEU 43 CO -0.06 0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.84 1kyi s ALA 44 N -1.09 0.39 -0.03 4.21 0.00 -0.41 -0.33 121.76 124.49 1kyi s ALA 44 Ca 0.24 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1kyi s ALA 44 Cb -0.17 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1kyi s ALA 44 CO 0.14 -0.17 -0.16 0.20 0.00 0.00 0.00 175.76 175.77 1kyi s GLY 45 N 1.27 0.82 -0.01 0.00 0.00 0.11 0.21 107.32 109.73 1kyi s GLY 45 Ca -0.06 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.03 1kyi s GLY 45 CO -0.02 -0.45 -0.11 -0.11 0.00 0.00 0.00 173.10 172.41 1kyi s PHE 46 N -0.16 0.97 0.49 1.90 -0.71 -0.60 -0.53 117.98 119.33 1kyi s PHE 46 Ca 0.01 -0.19 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 1kyi s PHE 46 Cb -0.09 -0.62 -0.03 0.00 -1.21 0.00 0.00 43.02 41.07 1kyi s PHE 46 CO 0.01 -0.01 0.00 0.00 -1.34 0.00 0.00 175.22 173.87 1kyi s ALA 47 N -0.29 3.88 0.00 1.99 0.00 -0.77 -4.93 121.76 121.64 1kyi s ALA 47 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1kyi s ALA 47 Cb -0.04 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1kyi s ALA 47 CO -0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1kyi n GLY 48 N -1.19 -1.54 3.77 0.00 0.00 -1.26 -2.01 105.19 102.95 1kyi n GLY 48 Ca -0.16 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 1kyi n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kyi s GLY 49 N 0.00 2.95 0.02 -0.02 0.00 -0.44 -4.87 107.32 104.97 1kyi s GLY 49 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 44.72 45.42 1kyi s GLY 49 CO 0.00 1.28 1.08 -0.91 0.00 0.00 0.00 173.10 174.55 1kyi h THR 50 N 2.79 0.00 -0.19 0.90 1.35 -1.92 0.23 112.91 116.06 1kyi h THR 50 Ca -0.47 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.42 1kyi h THR 50 Cb 1.21 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 67.58 1kyi h THR 50 CO 0.66 0.00 -0.41 0.00 -0.25 0.00 0.00 175.52 175.52 1kyi h ALA 51 N -1.00 -0.72 -0.67 6.62 0.00 -1.97 0.21 119.26 121.74 1kyi h ALA 51 Ca 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1kyi h ALA 51 Cb 0.08 0.95 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1kyi h ALA 51 CO -0.11 -0.89 0.30 -0.44 0.00 0.00 0.00 179.25 178.11 1kyi h ASP 52 N -0.37 0.35 -0.38 0.00 5.19 -1.86 0.18 116.42 119.53 1kyi h ASP 52 Ca 0.04 0.07 0.08 0.00 -0.62 0.00 0.00 57.03 56.60 1kyi h ASP 52 Cb 0.47 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 39.92 1kyi h ASP 52 CO -0.38 0.20 -0.15 0.00 -3.12 0.00 0.00 179.24 175.79 1kyi h ALA 53 N 1.43 0.16 -0.46 3.45 0.00 0.52 0.50 119.26 124.86 1kyi h ALA 53 Ca 0.33 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 1kyi h ALA 53 Cb 0.38 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1kyi h ALA 53 CO -0.29 -0.52 0.17 0.74 0.00 0.00 0.00 179.25 179.35 1kyi h PHE 54 N -0.08 0.72 -0.53 0.00 -1.00 0.14 -1.99 116.94 114.20 1kyi h PHE 54 Ca 0.19 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 1kyi h PHE 54 Cb 0.37 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1kyi h PHE 54 CO -0.39 0.63 0.12 1.79 -1.61 0.00 0.00 178.31 178.85 1kyi h THR 55 N 0.61 1.25 -0.56 -1.55 1.35 0.47 0.17 112.91 114.64 1kyi h THR 55 Ca 0.15 -0.88 0.09 0.00 -0.55 0.00 0.00 66.41 65.21 1kyi h THR 55 Cb 0.23 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 67.41 1kyi h THR 55 CO -0.01 0.32 0.37 0.25 -0.25 0.00 0.00 175.52 176.21 1kyi h LEU 56 N 0.75 0.36 0.13 3.87 7.12 0.12 0.15 115.31 127.81 1kyi h LEU 56 Ca 0.17 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1kyi h LEU 56 Cb 0.35 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1kyi h LEU 56 CO 0.00 0.22 -0.06 0.15 -0.13 0.00 0.00 178.44 178.62 1kyi h PHE 57 N 0.40 -0.16 -0.48 1.25 3.04 -0.56 -2.71 116.94 117.72 1kyi h PHE 57 Ca 0.25 -0.00 0.14 0.00 3.98 0.00 0.00 57.97 62.34 1kyi h PHE 57 Cb 0.47 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1kyi h PHE 57 CO -0.00 0.28 0.36 0.93 -2.02 0.00 0.00 178.31 177.86 1kyi h GLU 58 N -0.92 0.00 -0.02 1.11 5.08 -0.13 -1.04 114.58 118.67 1kyi h GLU 58 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1kyi h GLU 58 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1kyi h GLU 58 CO 0.03 0.00 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.93 1kyi h LEU 59 N 0.00 0.06 -1.63 1.33 4.07 -0.73 -2.78 115.31 115.63 1kyi h LEU 59 Ca 0.23 -0.60 0.10 0.00 0.08 0.00 0.00 57.88 57.69 1kyi h LEU 59 Cb 0.95 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.63 1kyi h LEU 59 CO -0.00 0.65 0.41 0.15 -1.08 0.00 0.00 178.44 178.57 1kyi h PHE 60 N -0.52 0.45 0.08 1.13 3.57 -0.90 -2.03 116.94 118.72 1kyi h PHE 60 Ca -0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1kyi h PHE 60 Cb 0.64 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1kyi h PHE 60 CO 0.13 0.21 -0.04 1.49 -2.23 0.00 0.00 178.31 177.87 1kyi h GLU 61 N 0.42 -0.11 -0.66 1.11 4.81 -1.19 0.48 114.58 119.44 1kyi h GLU 61 Ca 0.28 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.62 1kyi h GLU 61 Cb 0.56 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1kyi h GLU 61 CO -0.08 0.15 0.44 0.00 -0.73 0.00 0.00 179.01 178.79 1kyi h ARG 62 N -0.36 0.48 -0.16 1.92 3.08 -1.10 0.79 114.38 119.04 1kyi h ARG 62 Ca -0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1kyi h ARG 62 Cb 0.30 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1kyi h ARG 62 CO 0.02 0.32 -0.17 -0.22 -1.07 0.00 0.00 179.97 178.85 1kyi h LYS 63 N 0.50 0.40 -0.52 0.04 1.63 -1.07 -2.25 116.57 115.30 1kyi h LYS 63 Ca 0.30 -0.22 0.04 0.00 -0.85 0.00 0.00 60.65 59.93 1kyi h LYS 63 Cb 0.53 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 1kyi h LYS 63 CO -0.10 0.78 0.35 -0.07 -3.45 0.00 0.00 179.45 176.96 1kyi h LEU 64 N 0.04 0.47 -0.56 5.20 3.38 0.98 -1.32 115.31 123.51 1kyi h LEU 64 Ca 0.03 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1kyi h LEU 64 Cb 0.71 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1kyi h LEU 64 CO 0.04 0.32 -0.11 -0.33 0.09 0.00 0.00 178.44 178.45 1kyi h GLU 65 N 0.55 1.04 0.00 1.13 4.39 -0.64 -1.30 114.58 119.74 1kyi h GLU 65 Ca 0.22 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1kyi h GLU 65 Cb 0.17 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1kyi h GLU 65 CO -0.06 1.08 0.00 -1.33 -1.16 0.00 0.00 179.01 177.54 1kyi n MET 66 N -4.14 0.11 -2.45 2.33 2.81 -0.57 -4.04 117.12 111.18 1kyi n MET 66 Ca 0.01 0.03 -0.18 0.00 -1.81 0.00 0.00 57.70 55.75 1kyi n MET 66 Cb 0.41 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.44 1kyi n MET 66 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1kyi n HIS 67 N -1.44 2.42 -1.97 2.03 8.25 -0.78 -4.96 115.22 118.77 1kyi n HIS 67 Ca 0.09 -2.65 -0.03 0.00 -0.26 0.00 0.00 57.72 54.86 1kyi n HIS 67 Cb 0.29 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 1kyi n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1kyi n GLN 68 N -0.47 -2.15 -1.93 -0.41 6.02 -1.24 -0.06 117.38 117.13 1kyi n GLN 68 Ca 0.29 0.18 -0.10 0.00 -0.01 0.00 0.00 57.00 57.35 1kyi n GLN 68 Cb 0.80 -4.53 -0.02 0.00 1.02 0.00 0.00 30.24 27.51 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 -0.39 0.31 3.57 1.08 0.00 -0.51 -4.95 105.19 104.31 1kyi n GLY 69 Ca -0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.48 2.27 0.12 1.61 3.76 0.91 -4.86 115.29 116.62 1kyi s HIS 70 Ca 0.00 0.47 -0.31 0.00 -0.15 0.00 0.00 55.06 55.07 1kyi s HIS 70 Cb 0.00 -4.39 -0.08 0.00 1.11 0.00 0.00 32.58 29.22 1kyi s HIS 70 CO 0.00 -1.99 1.57 1.25 -0.85 0.00 0.00 174.74 174.72 1kyi h LEU 71 N 13.17 -1.45 -0.21 0.89 7.12 -1.92 0.10 115.31 133.00 1kyi h LEU 71 Ca -0.27 0.18 0.04 0.00 0.13 0.00 0.00 57.88 57.96 1kyi h LEU 71 Cb 1.09 0.58 -0.04 0.00 -0.53 0.00 0.00 40.66 41.76 1kyi h LEU 71 CO 1.18 -0.46 -0.03 0.25 -0.13 0.00 0.00 178.44 179.25 1kyi h LEU 72 N -0.55 -0.15 -0.36 2.25 7.12 -1.98 -1.55 115.31 120.09 1kyi h LEU 72 Ca 0.06 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 1kyi h LEU 72 Cb 0.66 0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.88 1kyi h LEU 72 CO -0.39 -0.05 0.12 0.50 -0.13 0.00 0.00 178.44 178.49 1kyi h LYS 73 N 0.03 0.55 -0.22 1.25 3.64 -1.90 -2.14 116.57 117.77 1kyi h LYS 73 Ca 0.10 -0.11 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1kyi h LYS 73 Cb 0.14 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1kyi h LYS 73 CO -0.19 0.56 -0.08 0.77 -2.27 0.00 0.00 179.45 178.24 1kyi h SER 74 N 0.43 -0.28 0.08 4.20 0.02 -0.74 0.11 113.55 117.38 1kyi h SER 74 Ca 0.12 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1kyi h SER 74 Cb 0.23 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1kyi h SER 74 CO -0.01 -0.11 -0.45 0.00 -1.14 0.00 0.00 176.83 175.13 1kyi h ALA 75 N 1.17 -0.79 -0.36 3.77 0.00 -1.13 -0.45 119.26 121.47 1kyi h ALA 75 Ca 0.11 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1kyi h ALA 75 Cb 0.21 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1kyi h ALA 75 CO -0.25 -1.02 -0.15 0.28 0.00 0.00 0.00 179.25 178.12 1kyi h VAL 76 N -0.66 0.53 -0.59 0.00 2.07 -0.91 0.74 116.25 117.43 1kyi h VAL 76 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1kyi h VAL 76 Cb 0.70 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 1kyi h VAL 76 CO -0.28 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.10 1kyi h GLU 77 N -0.08 0.25 -0.20 1.57 4.39 -0.43 0.54 114.58 120.62 1kyi h GLU 77 Ca 0.18 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1kyi h GLU 77 Cb 0.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1kyi h GLU 77 CO -0.41 0.17 0.05 1.25 -1.16 0.00 0.00 179.01 178.90 1kyi h LEU 78 N 0.26 0.30 -1.16 1.33 5.85 -0.27 -2.66 115.31 118.96 1kyi h LEU 78 Ca 0.31 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.89 1kyi h LEU 78 Cb 0.45 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1kyi h LEU 78 CO -0.39 0.45 0.59 0.00 -0.34 0.00 0.00 178.44 178.74 1kyi h ALA 79 N 0.86 1.57 0.00 1.25 0.00 -0.18 -0.84 119.26 121.93 1kyi h ALA 79 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kyi h ALA 79 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1kyi h ALA 79 CO 0.00 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.14 1kyi n LYS 80 N -4.52 0.01 -0.42 0.00 5.02 0.12 -1.84 118.16 116.52 1kyi n LYS 80 Ca 0.15 0.36 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1kyi n LYS 80 Cb 0.27 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.01 1kyi n LYS 80 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1kyi n ASP 81 N -1.48 3.31 0.00 4.39 10.43 -0.32 -3.70 116.55 129.18 1kyi n ASP 81 Ca 0.02 -2.33 0.00 0.00 2.57 0.00 0.00 54.79 55.05 1kyi n ASP 81 Cb 0.08 -0.48 0.00 0.00 1.84 0.00 0.00 41.12 42.56 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 0.58 0.00 -0.76 1.24 8.01 -0.77 -3.71 117.44 122.03 1kyi n TRP 82 Ca 0.16 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.29 1kyi n TRP 82 Cb 0.65 0.00 -0.09 0.00 -2.01 0.00 0.00 31.31 29.86 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 -1.67 1.53 -2.69 -0.99 3.00 -1.02 -4.72 116.66 110.10 1kyi n ARG 83 Ca 0.00 -0.53 -0.06 0.00 -0.01 0.00 0.00 57.85 57.25 1kyi n ARG 83 Cb 0.25 -1.53 -0.02 0.00 0.00 0.00 0.00 32.46 31.15 1kyi n ARG 83 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1kyi n THR 84 N 2.03 0.00 0.14 0.55 -2.24 -1.26 -4.96 114.28 108.54 1kyi n THR 84 Ca 0.23 -0.77 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 1kyi n THR 84 Cb 0.72 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.66 -0.34 -0.94 3.42 5.19 -1.96 -3.37 116.42 119.08 1kyi h ASP 85 Ca -0.08 0.02 -0.48 0.00 -0.62 0.00 0.00 57.03 55.87 1kyi h ASP 85 Cb 0.39 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 39.91 1kyi h ASP 85 CO 0.11 -0.23 1.22 -0.13 -3.12 0.00 0.00 179.24 177.09 1kyi s ARG 86 N -3.84 3.18 0.99 3.56 1.81 -1.26 -4.98 118.95 118.41 1kyi s ARG 86 Ca -0.06 -0.83 -0.16 0.00 -1.72 0.00 0.00 55.73 52.96 1kyi s ARG 86 Cb 0.01 -5.25 -0.10 0.00 -0.45 0.00 0.00 34.95 29.16 1kyi s ARG 86 CO 0.17 -2.69 -0.49 0.00 -0.68 0.00 0.00 175.30 171.61 1kyi n ALA 87 N 10.93 -4.71 -0.11 2.13 0.00 -1.26 -4.88 120.51 122.61 1kyi n ALA 87 Ca 0.36 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 1kyi n ALA 87 Cb 0.49 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.50 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 2.09 1.48 0.00 0.00 0.00 -1.24 -5.01 117.00 114.32 1kyi n LEU 88 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 56.01 55.95 1kyi n LEU 88 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 43.42 43.80 1kyi n LEU 88 CO 0.52 0.68 0.00 -1.14 0.00 0.00 0.00 177.39 177.45 1kyi n ARG 89 N -2.94 0.00 -1.68 1.96 0.63 -1.26 -5.07 116.66 108.30 1kyi n ARG 89 Ca -0.36 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.13 1kyi n ARG 89 Cb 1.03 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.90 1kyi n ARG 89 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1kyi n LYS 90 N 0.00 2.68 -4.00 -0.14 -0.00 -1.26 -4.93 118.16 110.51 1kyi n LYS 90 Ca 0.00 0.98 -0.36 0.00 -0.00 0.00 0.00 58.31 58.93 1kyi n LYS 90 Cb 0.00 -2.88 -0.08 0.00 -0.00 0.00 0.00 35.03 32.07 1kyi n LYS 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1kyi s LEU 91 N 3.47 4.03 -1.21 -5.58 1.43 0.37 -5.02 118.68 116.17 1kyi s LEU 91 Ca 0.86 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.11 1kyi s LEU 91 Cb -0.51 -1.99 0.20 0.00 0.03 0.00 0.00 46.19 43.91 1kyi s LEU 91 CO 0.42 0.30 1.53 1.21 0.23 0.00 0.00 176.35 180.04 1kyi n GLU 92 N 2.67 3.56 -3.60 1.70 2.13 -1.26 -3.98 120.64 121.86 1kyi n GLU 92 Ca -0.18 -3.89 -0.09 0.00 0.66 0.00 0.00 57.16 53.65 1kyi n GLU 92 Cb 0.53 -2.90 -0.06 0.00 0.27 0.00 0.00 31.44 29.29 1kyi n GLU 92 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kyi s ALA 93 N 0.49 -1.96 0.18 4.31 0.00 -1.26 -1.32 121.76 122.20 1kyi s ALA 93 Ca 0.39 1.70 0.09 0.00 0.00 0.00 0.00 51.96 54.15 1kyi s ALA 93 Cb 0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1kyi s ALA 93 CO 0.00 -0.27 -0.20 -1.64 0.00 0.00 0.00 175.76 173.65 1kyi s MET 94 N -0.59 1.36 0.09 0.00 -1.94 -0.85 -1.72 119.30 115.65 1kyi s MET 94 Ca 0.01 -1.47 0.08 0.00 -1.71 0.00 0.00 55.69 52.60 1kyi s MET 94 Cb -0.02 -1.48 -0.03 0.00 2.01 0.00 0.00 34.83 35.31 1kyi s MET 94 CO -0.02 0.30 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.58 1kyi s LEU 95 N -2.75 2.27 -0.20 -0.03 1.43 0.13 -1.85 118.68 117.68 1kyi s LEU 95 Ca 0.18 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1kyi s LEU 95 Cb -0.06 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.31 1kyi s LEU 95 CO 0.08 0.07 -0.16 -0.63 0.23 0.00 0.00 176.35 175.94 1kyi s ILE 96 N -1.08 2.29 0.08 -0.59 1.01 0.31 -0.65 121.20 122.57 1kyi s ILE 96 Ca 0.06 -0.97 0.10 0.00 0.00 0.00 0.00 60.65 59.83 1kyi s ILE 96 Cb -0.10 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1kyi s ILE 96 CO 0.04 0.43 -0.26 0.68 0.00 0.00 0.00 174.94 175.83 1kyi s VAL 97 N 1.29 2.09 -0.16 2.92 -7.23 0.55 -0.71 120.40 119.15 1kyi s VAL 97 Ca 0.03 -1.51 -0.24 0.00 -1.81 0.00 0.00 61.98 58.45 1kyi s VAL 97 Cb -0.14 -1.82 0.06 0.00 0.56 0.00 0.00 36.38 35.03 1kyi s VAL 97 CO -0.10 0.22 0.61 0.00 -0.31 0.00 0.00 175.10 175.51 1kyi s ALA 98 N -0.92 -1.54 0.40 1.32 0.00 0.54 -0.05 121.76 121.51 1kyi s ALA 98 Ca 0.12 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.61 1kyi s ALA 98 Cb -0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1kyi s ALA 98 CO 0.04 -0.31 0.16 0.16 0.00 0.00 0.00 175.76 175.81 1kyi s ASP 99 N -0.27 2.60 0.26 0.00 3.84 -0.36 0.68 116.67 123.43 1kyi s ASP 99 Ca -0.04 -1.71 -0.08 0.00 -0.00 0.00 0.00 52.55 50.71 1kyi s ASP 99 Cb -0.03 0.55 0.41 0.00 -1.38 0.00 0.00 42.92 42.47 1kyi s ASP 99 CO 0.04 -0.98 1.47 -1.84 -0.00 0.00 0.00 175.17 173.86 1kyi n GLU 100 N -0.87 -0.10 -0.03 2.11 0.28 -1.26 -2.94 120.64 117.83 1kyi n GLU 100 Ca -0.04 1.47 -0.17 0.00 -0.16 0.00 0.00 57.16 58.26 1kyi n GLU 100 Cb 0.64 -2.19 -0.13 0.00 1.43 0.00 0.00 31.44 31.19 1kyi n GLU 100 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1kyi h LYS 101 N 0.00 0.10 -5.98 3.44 2.10 -1.96 -3.48 116.57 110.78 1kyi h LYS 101 Ca 0.44 -0.17 -0.58 0.00 -2.00 0.00 0.00 60.65 58.33 1kyi h LYS 101 Cb 0.68 0.06 -0.14 0.00 -0.90 0.00 0.00 32.23 31.93 1kyi h LYS 101 CO -0.97 1.08 -0.72 -1.21 -2.00 0.00 0.00 179.45 175.63 1kyi s GLU 102 N -2.31 1.67 -0.05 0.07 0.41 -1.15 -5.14 118.70 112.20 1kyi s GLU 102 Ca -0.19 -1.80 0.02 0.00 -0.41 0.00 0.00 54.97 52.60 1kyi s GLU 102 Cb -0.00 -1.62 0.01 0.00 -1.78 0.00 0.00 34.13 30.74 1kyi s GLU 102 CO 0.73 0.23 -0.11 -1.12 -0.49 0.00 0.00 175.26 174.49 1kyi s SER 103 N -3.51 1.62 0.06 -0.19 0.01 -1.26 -1.22 113.70 109.21 1kyi s SER 103 Ca 0.30 -0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 1kyi s SER 103 Cb -0.01 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.53 1kyi s SER 103 CO 0.14 0.04 0.06 -0.22 0.41 0.00 0.00 173.24 173.67 1kyi s LEU 104 N 0.53 2.05 -0.18 2.44 2.96 0.92 -4.41 118.68 122.99 1kyi s LEU 104 Ca -0.11 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 53.00 1kyi s LEU 104 Cb -0.14 0.51 0.05 0.00 0.50 0.00 0.00 46.19 47.11 1kyi s LEU 104 CO 0.03 -0.61 -0.05 -0.51 -1.32 0.00 0.00 176.35 173.89 1kyi s ILE 105 N -3.56 1.12 -0.09 6.68 2.07 -0.79 -0.33 121.20 126.30 1kyi s ILE 105 Ca 0.03 -0.71 -0.02 0.00 -1.41 0.00 0.00 60.65 58.55 1kyi s ILE 105 Cb 0.05 -1.34 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 1kyi s ILE 105 CO -0.09 0.07 0.01 -0.63 -1.91 0.00 0.00 174.94 172.39 1kyi s ILE 106 N 1.62 4.38 0.38 2.00 1.01 0.17 -1.41 121.20 129.35 1kyi s ILE 106 Ca -0.00 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.51 1kyi s ILE 106 Cb -0.16 -2.85 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 1kyi s ILE 106 CO -0.07 0.61 0.07 0.42 0.00 0.00 0.00 174.94 175.96 1kyi s THR 107 N -0.88 2.38 -1.83 2.92 -4.23 -1.16 0.21 115.64 113.05 1kyi s THR 107 Ca 0.13 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1kyi s THR 107 Cb -0.11 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1kyi s THR 107 CO 0.02 -0.09 0.91 0.61 -0.54 0.00 0.00 174.62 175.53 1kyi n GLY 108 N -1.05 -0.57 0.02 3.99 0.00 -0.70 -2.17 105.19 104.72 1kyi n GLY 108 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1kyi n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1kyi n ILE 109 N -0.41 0.88 -2.05 -0.61 -5.35 -1.26 -0.48 119.36 110.07 1kyi n ILE 109 Ca 0.00 -0.92 -0.03 0.00 -0.27 0.00 0.00 62.75 61.53 1kyi n ILE 109 Cb 0.04 0.51 -0.02 0.00 -1.74 0.00 0.00 39.64 38.43 1kyi n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kyi n GLY 110 N -0.49 -4.26 0.00 3.28 0.00 -0.92 -4.72 105.19 98.07 1kyi n GLY 110 Ca 0.02 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1kyi n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kyi n ASP 111 N 0.94 0.00 -4.85 1.61 3.85 -1.26 -4.79 116.55 112.04 1kyi n ASP 111 Ca -0.21 0.00 -0.37 0.00 -0.71 0.00 0.00 54.79 53.50 1kyi n ASP 111 Cb 0.33 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 1kyi n ASP 111 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 1kyi s VAL 112 N 0.00 5.36 -0.05 2.12 -7.23 -1.26 -3.01 120.40 116.33 1kyi s VAL 112 Ca 0.00 0.40 0.05 0.00 -1.81 0.00 0.00 61.98 60.62 1kyi s VAL 112 Cb 0.00 -3.50 -0.01 0.00 0.56 0.00 0.00 36.38 33.43 1kyi s VAL 112 CO 0.00 0.59 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.48 1kyi s VAL 113 N -0.90 1.67 0.16 1.32 1.01 -0.50 -4.99 120.40 118.17 1kyi s VAL 113 Ca 0.17 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1kyi s VAL 113 Cb -0.13 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1kyi s VAL 113 CO 0.06 0.47 0.33 -1.10 0.00 0.00 0.00 175.10 174.87 1kyi s GLN 114 N -0.08 3.50 1.02 2.72 -0.21 -1.26 -1.88 119.66 123.48 1kyi s GLN 114 Ca -0.03 -0.38 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 1kyi s GLN 114 Cb -0.12 -2.90 0.20 0.00 1.00 0.00 0.00 33.01 31.19 1kyi s GLN 114 CO 0.02 0.47 1.08 -2.14 -2.12 0.00 0.00 175.29 172.61 1kyi s PRO 115 N -3.07 0.22 0.71 2.91 0.02 -1.26 -4.99 135.00 129.54 1kyi s PRO 115 Ca 0.37 0.55 -0.11 0.00 0.02 0.00 0.00 61.00 61.84 1kyi s PRO 115 Cb -0.12 -1.71 0.16 0.00 0.02 0.00 0.00 34.50 32.86 1kyi s PRO 115 CO 0.28 -2.88 0.96 0.39 -0.33 0.00 0.00 177.00 175.42 1kyi n GLU 116 N -4.29 -0.84 -0.30 5.54 1.02 -1.26 -4.87 120.64 115.64 1kyi n GLU 116 Ca 0.05 -1.61 0.01 0.00 -0.02 0.00 0.00 57.16 55.59 1kyi n GLU 116 Cb 0.57 -0.96 0.08 0.00 -0.02 0.00 0.00 31.44 31.11 1kyi n GLU 116 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1kyi h GLU 117 N 0.00 -0.03 0.00 3.49 4.11 -1.98 -1.54 114.58 118.64 1kyi h GLU 117 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1kyi h GLU 117 Cb 0.89 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1kyi h GLU 117 CO 0.23 -0.02 0.13 -0.40 0.07 0.00 0.00 179.01 179.02 1kyi n ASP 118 N -5.52 0.02 -2.50 3.06 5.68 -1.26 -4.82 116.55 111.21 1kyi n ASP 118 Ca 0.11 0.39 -0.20 0.00 -0.50 0.00 0.00 54.79 54.59 1kyi n ASP 118 Cb 0.41 -0.39 0.01 0.00 -1.14 0.00 0.00 41.12 40.01 1kyi n ASP 118 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1kyi n GLN 119 N -1.42 -3.05 -4.62 0.11 -0.06 -0.58 -4.78 117.38 102.98 1kyi n GLN 119 Ca -0.00 0.89 -0.33 0.00 -2.00 0.00 0.00 57.00 55.56 1kyi n GLN 119 Cb 0.13 -5.54 -0.12 0.00 -4.06 0.00 0.00 30.24 20.65 1kyi n GLN 119 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1kyi s ILE 120 N -3.05 3.53 -0.00 1.69 1.01 -1.26 -3.45 121.20 119.67 1kyi s ILE 120 Ca 0.14 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1kyi s ILE 120 Cb -0.06 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 1kyi s ILE 120 CO 0.17 0.55 -0.07 -0.76 0.00 0.00 0.00 174.94 174.83 1kyi s LEU 121 N -0.14 2.03 -0.07 2.97 1.43 -0.64 -4.59 118.68 119.67 1kyi s LEU 121 Ca 0.01 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1kyi s LEU 121 Cb -0.13 -0.35 0.03 0.00 0.03 0.00 0.00 46.19 45.77 1kyi s LEU 121 CO 0.03 0.07 0.33 0.00 0.23 0.00 0.00 176.35 177.01 1kyi s ALA 122 N -0.22 -0.81 0.17 4.21 0.00 -1.26 0.59 121.76 124.44 1kyi s ALA 122 Ca 0.02 0.62 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1kyi s ALA 122 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1kyi s ALA 122 CO -0.00 -0.22 0.16 0.96 0.00 0.00 0.00 175.76 176.66 1kyi s ILE 123 N -0.64 0.05 0.00 0.00 -4.36 0.70 -4.85 121.20 112.10 1kyi s ILE 123 Ca -0.07 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 1kyi s ILE 123 Cb -0.04 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1kyi s ILE 123 CO 0.03 -0.21 0.00 0.61 0.24 0.00 0.00 174.94 175.61 1kyi n GLY 124 N -0.21 2.38 0.40 6.27 0.00 -1.26 -1.17 105.19 111.59 1kyi n GLY 124 Ca -0.02 -1.93 0.20 0.00 0.00 0.00 0.00 46.02 44.27 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 0.48 -0.74 1.61 4.64 -1.51 0.47 113.55 118.50 1kyi h SER 125 Ca 0.00 0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 61.12 1kyi h SER 125 Cb 0.00 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 61.91 1kyi h SER 125 CO 0.00 0.15 0.34 0.61 -0.87 0.00 0.00 176.83 177.06 1kyi n GLY 126 N -1.47 3.66 0.53 -0.77 0.00 -0.80 -4.64 105.19 101.70 1kyi n GLY 126 Ca 0.22 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 1kyi n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1kyi h GLY 127 N 2.51 -1.41 1.32 -0.02 0.00 -0.18 -2.82 103.07 102.47 1kyi h GLY 127 Ca 0.33 0.53 0.06 0.00 0.00 0.00 0.00 47.33 48.25 1kyi h GLY 127 CO 0.77 -0.51 0.31 3.43 0.00 0.00 0.00 176.54 180.54 1kyi h ASN 128 N -1.34 0.33 0.88 0.19 2.35 -1.82 0.29 115.58 116.45 1kyi h ASN 128 Ca -0.14 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 1kyi h ASN 128 Cb 1.03 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 39.34 1kyi h ASN 128 CO 0.22 0.22 -0.42 1.88 -1.65 0.00 0.00 177.43 177.67 1kyi h TYR 129 N 0.38 -1.09 -0.84 1.19 0.99 -1.87 0.53 116.97 116.25 1kyi h TYR 129 Ca 0.20 -0.03 0.09 0.00 2.00 0.00 0.00 58.73 61.00 1kyi h TYR 129 Cb 0.33 0.36 -0.07 0.00 1.00 0.00 0.00 36.73 38.35 1kyi h TYR 129 CO -0.00 -0.68 0.49 0.00 -0.00 0.00 0.00 178.16 177.98 1kyi h ALA 130 N -1.05 1.20 -0.49 3.88 0.00 -1.11 -0.21 119.26 121.48 1kyi h ALA 130 Ca -0.12 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1kyi h ALA 130 Cb 0.90 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1kyi h ALA 130 CO 0.20 0.14 0.29 1.25 0.00 0.00 0.00 179.25 181.13 1kyi h LEU 131 N 0.84 0.47 0.53 0.00 5.85 -0.01 0.19 115.31 123.17 1kyi h LEU 131 Ca 0.40 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 1kyi h LEU 131 Cb 0.34 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1kyi h LEU 131 CO -0.24 0.34 -0.25 0.28 -0.34 0.00 0.00 178.44 178.23 1kyi h SER 132 N 0.58 -0.60 -0.80 1.25 0.02 0.12 0.24 113.55 114.36 1kyi h SER 132 Ca 0.19 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 1kyi h SER 132 Cb 0.01 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.63 1kyi h SER 132 CO -0.09 -0.33 0.43 0.00 -1.14 0.00 0.00 176.83 175.71 1kyi h ALA 133 N -0.46 1.15 -0.44 3.77 0.00 -0.99 -0.64 119.26 121.64 1kyi h ALA 133 Ca -0.07 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1kyi h ALA 133 Cb 0.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1kyi h ALA 133 CO 0.12 0.01 0.12 0.00 0.00 0.00 0.00 179.25 179.50 1kyi h ALA 134 N 1.47 0.58 -0.54 0.00 0.00 -0.43 -1.79 119.26 118.54 1kyi h ALA 134 Ca 0.40 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1kyi h ALA 134 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1kyi h ALA 134 CO -0.28 0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.52 1kyi h ARG 135 N 0.57 0.75 0.25 0.00 3.08 -0.30 -0.76 114.38 117.98 1kyi h ARG 135 Ca 0.14 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1kyi h ARG 135 Cb 0.29 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1kyi h ARG 135 CO -0.00 0.56 -0.45 0.00 -1.07 0.00 0.00 179.97 179.01 1kyi h ALA 136 N 1.14 -0.88 -1.00 0.04 0.00 -0.86 -1.53 119.26 116.17 1kyi h ALA 136 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1kyi h ALA 136 Cb 0.03 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1kyi h ALA 136 CO -0.03 -1.05 0.66 -0.07 0.00 0.00 0.00 179.25 178.75 1kyi h LEU 137 N -0.77 1.15 -0.74 0.00 4.07 -1.15 -1.09 115.31 116.78 1kyi h LEU 137 Ca -0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 1kyi h LEU 137 Cb 0.74 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 1kyi h LEU 137 CO -0.18 0.83 0.03 0.58 -1.08 0.00 0.00 178.44 178.62 1kyi h VAL 138 N 1.35 1.26 0.00 1.22 2.07 -0.97 -1.66 116.25 119.51 1kyi h VAL 138 Ca 0.36 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1kyi h VAL 138 Cb -0.15 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1kyi h VAL 138 CO -0.08 0.39 -0.13 -0.33 0.02 0.00 0.00 177.57 177.45 1kyi h GLU 139 N 0.92 0.00 0.00 1.57 5.08 -1.00 -3.38 114.58 117.78 1kyi h GLU 139 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1kyi h GLU 139 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1kyi h GLU 139 CO 0.02 0.13 -0.06 0.09 -1.00 0.00 0.00 179.01 178.19 1kyi n ASN 140 N -3.13 1.64 -3.71 1.42 3.02 -0.44 -5.08 115.26 108.97 1kyi n ASN 140 Ca 0.03 -2.26 -0.11 0.00 -0.03 0.00 0.00 54.58 52.21 1kyi n ASN 140 Cb 0.58 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 1kyi n ASN 140 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kyi s THR 141 N -1.43 0.00 -1.25 3.41 -4.23 -0.64 -4.99 115.64 106.52 1kyi s THR 141 Ca 0.11 -1.47 0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1kyi s THR 141 Cb 0.10 -2.40 0.44 0.00 1.34 0.00 0.00 72.50 71.98 1kyi s THR 141 CO 0.01 0.00 1.37 -0.62 -0.54 0.00 0.00 174.62 174.84 1kyi n GLU 142 N -0.44 2.86 -1.52 3.99 -0.58 -1.26 -4.77 120.64 118.91 1kyi n GLU 142 Ca -0.01 -2.30 -0.42 0.00 -0.42 0.00 0.00 57.16 54.00 1kyi n GLU 142 Cb 0.62 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.87 1.09 -4.74 -4.62 4.77 -1.26 -4.94 117.00 108.17 1kyi n LEU 143 Ca 0.17 1.01 -0.30 0.00 -0.03 0.00 0.00 56.01 56.86 1kyi n LEU 143 Cb 0.52 -1.21 0.13 0.00 -2.33 0.00 0.00 43.42 40.52 1kyi n LEU 143 CO 0.12 -2.18 0.68 -0.94 -1.33 0.00 0.00 177.39 173.74 1kyi s SER 144 N -0.82 3.73 0.11 -1.43 1.04 -1.26 -4.81 113.70 110.26 1kyi s SER 144 Ca 0.63 1.41 -0.28 0.00 0.48 0.00 0.00 55.95 58.19 1kyi s SER 144 Cb -0.63 -2.10 -0.08 0.00 0.10 0.00 0.00 66.02 63.32 1kyi s SER 144 CO 0.58 -2.47 1.62 0.00 0.98 0.00 0.00 173.24 173.95 1kyi h ALA 145 N -1.43 -0.51 -0.71 5.32 0.00 -1.91 -1.94 119.26 118.08 1kyi h ALA 145 Ca -0.49 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 54.53 1kyi h ALA 145 Cb 1.28 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 19.46 1kyi h ALA 145 CO 0.56 -0.84 0.06 1.25 0.00 0.00 0.00 179.25 180.28 1kyi h HIS 146 N -0.52 0.06 -0.08 0.00 -0.00 -1.92 -0.98 115.15 111.71 1kyi h HIS 146 Ca 0.03 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1kyi h HIS 146 Cb 0.55 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.05 1kyi h HIS 146 CO -0.28 -0.17 0.03 0.93 -0.00 0.00 0.00 177.93 178.44 1kyi h GLU 147 N 0.16 0.11 -0.97 5.26 5.08 -1.84 -0.91 114.58 121.48 1kyi h GLU 147 Ca 0.39 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.81 1kyi h GLU 147 Cb 0.67 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1kyi h GLU 147 CO -0.58 0.25 0.61 0.82 -1.00 0.00 0.00 179.01 179.11 1kyi h ILE 148 N -0.04 1.02 0.95 3.13 2.04 -0.58 0.47 117.51 124.49 1kyi h ILE 148 Ca 0.02 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1kyi h ILE 148 Cb 0.18 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1kyi h ILE 148 CO -0.00 0.19 -0.46 0.58 0.00 0.00 0.00 178.15 178.47 1kyi h VAL 149 N 1.06 0.00 -0.52 1.67 2.07 -0.98 0.14 116.25 119.70 1kyi h VAL 149 Ca 0.44 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 68.00 1kyi h VAL 149 Cb 0.28 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 29.95 1kyi h VAL 149 CO -0.21 0.00 -0.17 -0.08 0.02 0.00 0.00 177.57 177.14 1kyi h GLU 150 N -1.34 -0.04 0.68 1.57 4.57 -0.71 -0.51 114.58 118.80 1kyi h GLU 150 Ca -0.13 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1kyi h GLU 150 Cb 0.98 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.59 1kyi h GLU 150 CO 0.21 -0.03 -0.33 0.87 -1.18 0.00 0.00 179.01 178.56 1kyi h LYS 151 N -0.05 -0.89 -0.45 1.92 1.57 0.01 -3.07 116.57 115.62 1kyi h LYS 151 Ca 0.25 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 1kyi h LYS 151 Cb 0.42 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 1kyi h LYS 151 CO -0.56 -0.57 -0.07 0.77 -0.57 0.00 0.00 179.45 178.45 1kyi h SER 152 N -0.99 -0.34 -0.70 0.86 0.02 -0.41 -2.18 113.55 109.82 1kyi h SER 152 Ca -0.09 0.13 0.14 0.00 -0.84 0.00 0.00 61.79 61.12 1kyi h SER 152 Cb 0.72 0.25 -0.13 0.00 0.14 0.00 0.00 62.40 63.38 1kyi h SER 152 CO 0.15 -0.12 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.48 1kyi h LEU 153 N 0.03 -0.65 -0.24 5.07 3.38 -1.08 -0.58 115.31 121.24 1kyi h LEU 153 Ca 0.22 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 1kyi h LEU 153 Cb 0.34 0.43 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1kyi h LEU 153 CO -0.44 -0.23 0.07 -0.09 0.09 0.00 0.00 178.44 177.85 1kyi h ARG 154 N -0.00 0.38 -0.64 1.13 2.43 -1.32 0.24 114.38 116.61 1kyi h ARG 154 Ca 0.33 -0.08 0.18 0.00 -0.81 0.00 0.00 59.98 59.60 1kyi h ARG 154 Cb 0.51 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1kyi h ARG 154 CO -0.72 0.46 0.45 0.82 -1.51 0.00 0.00 179.97 179.48 1kyi h ILE 155 N 0.23 0.70 0.14 1.20 2.04 -0.70 -0.68 117.51 120.44 1kyi h ILE 155 Ca 0.08 -0.02 -0.34 0.00 1.00 0.00 0.00 64.86 65.59 1kyi h ILE 155 Cb 0.24 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1kyi h ILE 155 CO -0.00 0.01 -1.73 0.00 0.00 0.00 0.00 178.15 176.42 1kyi h ALA 156 N 1.68 0.30 0.00 1.87 0.00 -0.52 -3.29 119.26 119.31 1kyi h ALA 156 Ca 0.30 -1.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.00 1kyi h ALA 156 Cb 1.15 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1kyi h ALA 156 CO -0.02 1.17 -0.02 0.78 0.00 0.00 0.00 179.25 181.16 1kyi h GLY 157 N 1.30 0.00 1.97 0.00 0.00 0.87 0.13 103.07 107.34 1kyi h GLY 157 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1kyi h GLY 157 CO 0.15 0.00 -0.07 -0.55 0.00 0.00 0.00 176.54 176.07 1kyi h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -1.31 -3.35 116.42 115.41 1kyi h ASP 158 Ca -0.00 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.19 1kyi h ASP 158 Cb 0.16 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.88 1kyi h ASP 158 CO 0.00 0.04 -2.01 -0.38 -1.57 0.00 0.00 179.24 175.32 1kyi n ILE 159 N -3.10 1.01 -3.20 0.35 5.41 -0.31 -4.95 119.36 114.57 1kyi n ILE 159 Ca 0.04 -0.53 -0.39 0.00 1.00 0.00 0.00 62.75 62.86 1kyi n ILE 159 Cb 0.55 -0.81 -0.06 0.00 -0.71 0.00 0.00 39.64 38.60 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 4.10 0.00 0.24 0.00 0.24 -1.26 -2.65 118.33 119.00 1kyi n VAL 161 Ca -0.04 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.29 1kyi n VAL 161 Cb 0.51 -0.45 0.01 0.00 -1.47 0.00 0.00 33.84 32.44 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 -0.89 0.00 -4.87 6.34 3.72 -1.26 -4.96 117.46 115.53 1kyi n PHE 162 Ca 0.17 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.24 1kyi n PHE 162 Cb 0.08 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.72 2.74 0.00 4.37 2.01 -1.09 -4.28 115.64 118.67 1kyi s THR 163 Ca 0.06 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1kyi s THR 163 Cb 0.05 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1kyi s THR 163 CO 0.11 0.53 0.00 -0.46 -0.69 0.00 0.00 174.62 174.11 1kyi n ASN 164 N 3.58 0.43 -0.41 3.53 2.04 -1.26 -4.58 115.26 118.59 1kyi n ASN 164 Ca -0.18 -0.38 0.07 0.00 -0.44 0.00 0.00 54.58 53.65 1kyi n ASN 164 Cb 0.53 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.80 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 -0.30 0.00 -2.30 5.53 -2.24 -1.26 -4.56 114.28 109.15 1kyi n THR 165 Ca 0.00 -0.42 -0.39 0.00 -2.27 0.00 0.00 64.05 60.97 1kyi n THR 165 Cb 0.00 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.44 5.73 0.38 3.42 3.84 -1.26 -4.98 114.94 120.63 1kyi s ASN 166 Ca 0.13 -0.22 -0.02 0.00 0.21 0.00 0.00 52.86 52.97 1kyi s ASN 166 Cb 0.11 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.23 1kyi s ASN 166 CO 0.27 -2.11 0.61 -0.36 -2.79 0.00 0.00 177.10 172.72 1kyi s PHE 167 N 7.42 3.51 -0.23 0.43 2.99 -1.26 -1.49 117.98 129.35 1kyi s PHE 167 Ca 0.52 0.51 -0.03 0.00 0.00 0.00 0.00 56.93 57.93 1kyi s PHE 167 Cb -0.09 -2.03 0.08 0.00 0.00 0.00 0.00 43.02 40.97 1kyi s PHE 167 CO 0.14 0.02 0.09 0.99 -0.00 0.00 0.00 175.22 176.46 1kyi s THR 168 N -2.40 0.23 -0.06 0.64 2.01 0.16 -4.96 115.64 111.26 1kyi s THR 168 Ca 0.42 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1kyi s THR 168 Cb -0.10 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 1kyi s THR 168 CO 0.38 -0.44 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.08 1kyi s ILE 169 N 1.97 2.96 -0.04 1.82 1.01 -1.26 -2.49 121.20 125.17 1kyi s ILE 169 Ca 0.04 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1kyi s ILE 169 Cb -0.16 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1kyi s ILE 169 CO -0.19 0.58 -0.13 -1.61 0.00 0.00 0.00 174.94 173.60 1kyi s GLU 170 N -0.53 1.44 0.28 2.79 0.41 -0.01 -5.00 118.70 118.07 1kyi s GLU 170 Ca 0.07 -0.43 0.11 0.00 -0.41 0.00 0.00 54.97 54.31 1kyi s GLU 170 Cb -0.12 -1.26 -0.05 0.00 -1.78 0.00 0.00 34.13 30.93 1kyi s GLU 170 CO 0.01 0.13 -0.17 -1.83 -0.49 0.00 0.00 175.26 172.91 1kyi s GLU 171 N 0.29 1.64 -0.28 1.61 -1.05 -1.26 -0.13 118.70 119.52 1kyi s GLU 171 Ca -0.07 -1.76 -0.01 0.00 -0.15 0.00 0.00 54.97 52.98 1kyi s GLU 171 Cb -0.12 -1.64 0.05 0.00 -0.44 0.00 0.00 34.13 31.98 1kyi s GLU 171 CO 0.02 0.27 -0.04 -0.51 0.95 0.00 0.00 175.26 175.96 1kyi s LEU 172 N -3.49 3.65 0.00 1.83 1.43 0.15 -4.97 118.68 117.28 1kyi s LEU 172 Ca 0.29 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1kyi s LEU 172 Cb -0.03 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1kyi s LEU 172 CO 0.14 -0.22 0.32 -2.65 0.23 0.00 0.00 176.35 174.17