#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 0.29 -0.09 12.58 2.01 -1.26 -1.57 115.64 127.60 1kyi s THR 2 Ca 0.00 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1kyi s THR 2 Cb 0.00 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1kyi s THR 2 CO 0.00 0.18 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.34 1kyi s ILE 3 N 2.00 1.41 0.06 1.82 1.09 -0.31 -2.90 121.20 124.37 1kyi s ILE 3 Ca 0.04 -0.61 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 1kyi s ILE 3 Cb -0.13 -1.28 -0.03 0.00 -1.06 0.00 0.00 42.46 39.96 1kyi s ILE 3 CO -0.05 0.42 -0.08 0.54 -0.10 0.00 0.00 174.94 175.67 1kyi s VAL 4 N 0.84 0.62 -0.04 2.92 0.11 0.30 -0.09 120.40 125.07 1kyi s VAL 4 Ca -0.10 -1.36 -0.02 0.00 -2.93 0.00 0.00 61.98 57.57 1kyi s VAL 4 Cb -0.15 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1kyi s VAL 4 CO 0.01 -0.53 0.09 -0.55 -3.33 0.00 0.00 175.10 170.79 1kyi s SER 5 N -2.05 -0.03 0.02 3.54 0.15 0.19 -0.92 113.70 114.61 1kyi s SER 5 Ca -0.03 0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.86 1kyi s SER 5 Cb -0.05 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1kyi s SER 5 CO -0.01 -0.12 -0.19 -0.69 1.20 0.00 0.00 173.24 173.43 1kyi s VAL 6 N 0.98 1.52 -0.15 4.45 1.01 -0.76 -1.57 120.40 125.88 1kyi s VAL 6 Ca -0.08 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 1kyi s VAL 6 Cb -0.11 -1.31 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1kyi s VAL 6 CO -0.04 0.24 -0.07 -0.60 0.00 0.00 0.00 175.10 174.63 1kyi s ARG 7 N -0.93 1.57 -0.25 2.72 3.52 -1.23 -0.90 118.95 123.45 1kyi s ARG 7 Ca 0.06 -0.49 -0.14 0.00 -0.13 0.00 0.00 55.73 55.04 1kyi s ARG 7 Cb -0.08 -1.95 0.08 0.00 -1.56 0.00 0.00 34.95 31.43 1kyi s ARG 7 CO 0.01 -0.38 0.60 0.50 -0.81 0.00 0.00 175.30 175.22 1kyi s ARG 8 N 1.62 0.60 -0.66 5.12 3.52 -0.33 -4.89 118.95 123.94 1kyi s ARG 8 Ca 0.02 1.10 -0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1kyi s ARG 8 Cb -0.15 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1kyi s ARG 8 CO -0.08 -0.16 0.57 0.09 -0.81 0.00 0.00 175.30 174.91 1kyi n ASN 9 N 4.36 -3.24 -0.75 -2.12 4.13 -1.26 -3.06 115.26 113.33 1kyi n ASN 9 Ca -0.21 -0.30 -0.10 0.00 1.68 0.00 0.00 54.58 55.66 1kyi n ASN 9 Cb 0.57 -2.85 -0.04 0.00 -1.54 0.00 0.00 39.78 35.93 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 -1.18 1.08 3.37 7.41 0.00 -1.26 -4.99 105.19 109.62 1kyi n GLY 10 Ca -0.06 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.64 2.36 -0.10 1.61 -1.52 -1.17 -4.89 119.66 113.31 1kyi s GLN 11 Ca 0.00 -0.83 0.01 0.00 -1.95 0.00 0.00 55.36 52.59 1kyi s GLN 11 Cb 0.00 -2.20 0.02 0.00 -0.22 0.00 0.00 33.01 30.61 1kyi s GLN 11 CO 0.00 0.55 -0.12 0.08 -0.25 0.00 0.00 175.29 175.55 1kyi s VAL 12 N -0.56 1.23 -0.02 1.09 1.01 -1.25 -1.18 120.40 120.72 1kyi s VAL 12 Ca 0.08 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1kyi s VAL 12 Cb -0.11 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1kyi s VAL 12 CO 0.00 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 1kyi s VAL 13 N 1.12 1.39 -0.07 2.92 1.01 -0.08 0.28 120.40 126.96 1kyi s VAL 13 Ca -0.05 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1kyi s VAL 13 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1kyi s VAL 13 CO -0.02 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.68 1kyi s VAL 14 N -0.28 1.05 0.06 2.92 1.01 0.05 -1.83 120.40 123.37 1kyi s VAL 14 Ca 0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1kyi s VAL 14 Cb -0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1kyi s VAL 14 CO 0.00 0.34 0.13 -0.83 0.00 0.00 0.00 175.10 174.74 1kyi s GLY 15 N 0.83 0.16 0.16 4.51 0.00 -0.09 -1.08 107.32 111.80 1kyi s GLY 15 Ca -0.12 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 1kyi s GLY 15 CO 0.02 -0.80 0.75 -0.32 0.00 0.00 0.00 173.10 172.74 1kyi s GLY 16 N -2.55 -0.39 0.00 0.20 0.00 -0.99 -0.54 107.32 103.04 1kyi s GLY 16 Ca 0.01 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.07 1kyi s GLY 16 CO -0.08 0.11 0.00 2.09 0.00 0.00 0.00 173.10 175.22 1kyi n ASP 17 N -0.39 -0.06 -2.59 1.64 5.75 -1.14 -1.22 116.55 118.54 1kyi n ASP 17 Ca -0.10 -0.65 -0.01 0.00 -0.01 0.00 0.00 54.79 54.01 1kyi n ASP 17 Cb 0.62 0.00 0.05 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 4.78 2.11 3.32 6.12 0.00 -0.62 -4.09 105.19 116.82 1kyi n GLY 18 Ca 0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.35 2.77 -0.37 1.61 0.74 -1.26 -1.77 119.66 118.03 1kyi s GLN 19 Ca 0.30 -1.43 -0.22 0.00 0.05 0.00 0.00 55.36 54.05 1kyi s GLN 19 Cb 0.34 -3.95 0.01 0.00 1.10 0.00 0.00 33.01 30.50 1kyi s GLN 19 CO -0.05 -1.00 0.75 0.08 -0.55 0.00 0.00 175.29 174.51 1kyi s VAL 20 N 1.52 4.77 -0.18 1.34 1.01 0.79 -4.76 120.40 124.88 1kyi s VAL 20 Ca 0.04 0.77 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 1kyi s VAL 20 Cb -0.24 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1kyi s VAL 20 CO 0.04 -0.43 -0.04 -0.94 0.00 0.00 0.00 175.10 173.74 1kyi s SER 21 N 1.85 4.61 -0.42 3.32 1.04 -1.26 -1.38 113.70 121.46 1kyi s SER 21 Ca 0.29 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.40 1kyi s SER 21 Cb -0.13 -1.77 0.08 0.00 0.10 0.00 0.00 66.02 64.30 1kyi s SER 21 CO 0.17 0.09 0.25 -0.22 0.98 0.00 0.00 173.24 174.51 1kyi s LEU 22 N 0.83 5.13 0.00 2.42 2.96 -0.83 -4.94 118.68 124.25 1kyi s LEU 22 Ca -0.01 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 52.39 1kyi s LEU 22 Cb -0.15 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.57 1kyi s LEU 22 CO 0.02 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 1kyi n GLY 23 N 4.90 1.26 1.57 7.98 0.00 -1.26 -2.29 105.19 117.35 1kyi n GLY 23 Ca -0.10 -0.66 0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 4.27 4.83 -4.82 1.61 5.03 -1.26 -4.93 115.26 120.00 1kyi n ASN 24 Ca 0.00 -2.54 -0.22 0.00 0.87 0.00 0.00 54.58 52.69 1kyi n ASN 24 Cb 0.00 -0.58 -0.05 0.00 -1.02 0.00 0.00 39.78 38.13 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 -2.02 2.66 -0.17 3.41 -4.23 -0.97 -5.11 115.64 109.21 1kyi s THR 25 Ca 0.51 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1kyi s THR 25 Cb 0.34 -3.01 0.02 0.00 1.34 0.00 0.00 72.50 71.18 1kyi s THR 25 CO 0.22 -0.03 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.38 1kyi s VAL 26 N -2.49 2.08 -0.16 2.29 1.01 -1.26 -1.96 120.40 119.91 1kyi s VAL 26 Ca 0.45 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 1kyi s VAL 26 Cb -0.01 -1.86 -0.23 0.00 0.00 0.00 0.00 36.38 34.28 1kyi s VAL 26 CO 0.26 0.54 0.34 -0.03 0.00 0.00 0.00 175.10 176.21 1kyi h MET 27 N 7.76 0.14 -4.11 2.72 -1.53 -1.57 -3.48 114.93 114.86 1kyi h MET 27 Ca -0.42 -0.24 -0.26 0.00 -3.44 0.00 0.00 59.70 55.35 1kyi h MET 27 Cb 1.16 0.09 -0.26 0.00 -0.55 0.00 0.00 31.60 32.04 1kyi h MET 27 CO 0.61 1.11 -0.73 0.21 0.14 0.00 0.00 176.91 178.26 1kyi s LYS 28 N -2.45 0.28 -0.00 0.39 2.20 -1.12 -5.00 119.74 114.03 1kyi s LYS 28 Ca -0.25 -0.30 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 1kyi s LYS 28 Cb 0.06 -0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 36.14 1kyi s LYS 28 CO 0.69 0.04 0.19 0.41 -0.36 0.00 0.00 175.35 176.31 1kyi n GLY 29 N 2.50 0.18 1.76 5.54 0.00 -1.24 -0.15 105.19 113.79 1kyi n GLY 29 Ca -0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.36 3.71 -4.77 1.61 0.23 -1.11 -4.18 115.26 109.40 1kyi n ASN 30 Ca 0.00 -3.50 -0.40 0.00 -0.53 0.00 0.00 54.58 50.16 1kyi n ASN 30 Cb 0.11 -0.73 0.01 0.00 -2.08 0.00 0.00 39.78 37.09 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 -3.16 3.24 -0.63 -2.53 0.00 -0.73 -4.97 121.76 112.98 1kyi s ALA 31 Ca 0.52 1.37 -0.16 0.00 0.00 0.00 0.00 51.96 53.69 1kyi s ALA 31 Cb 0.44 -3.55 0.14 0.00 0.00 0.00 0.00 23.12 20.15 1kyi s ALA 31 CO 0.08 -1.06 0.63 1.03 0.00 0.00 0.00 175.76 176.45 1kyi s ARG 32 N -2.39 3.15 0.00 0.00 0.52 -1.26 -4.05 118.95 114.93 1kyi s ARG 32 Ca 0.60 -1.77 0.25 0.00 -0.52 0.00 0.00 55.73 54.29 1kyi s ARG 32 Cb -0.41 -4.34 1.05 0.00 0.52 0.00 0.00 34.95 31.76 1kyi s ARG 32 CO 0.53 -1.40 1.73 1.63 0.02 0.00 0.00 175.30 177.81 1kyi n LYS 33 N 5.32 1.53 -4.57 3.54 5.02 -1.26 -4.77 118.16 122.99 1kyi n LYS 33 Ca -0.06 -0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 55.20 1kyi n LYS 33 Cb 0.42 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.92 1.09 0.11 -0.18 1.01 -1.26 -1.38 120.40 117.86 1kyi s VAL 34 Ca 0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1kyi s VAL 34 Cb 0.19 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1kyi s VAL 34 CO 0.30 0.34 0.06 -0.13 0.00 0.00 0.00 175.10 175.67 1kyi s ARG 35 N 0.56 0.86 -0.08 2.72 0.52 0.13 -4.97 118.95 118.69 1kyi s ARG 35 Ca -0.12 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 53.63 1kyi s ARG 35 Cb -0.15 0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 1kyi s ARG 35 CO 0.03 -0.24 0.26 1.03 0.02 0.00 0.00 175.30 176.41 1kyi s ARG 36 N -4.00 3.75 0.40 3.54 0.52 -1.26 -1.04 118.95 120.86 1kyi s ARG 36 Ca 0.19 0.11 0.05 0.00 -0.52 0.00 0.00 55.73 55.56 1kyi s ARG 36 Cb 0.07 -3.24 -0.06 0.00 0.52 0.00 0.00 34.95 32.24 1kyi s ARG 36 CO -0.02 0.66 0.03 -0.51 0.02 0.00 0.00 175.30 175.49 1kyi s LEU 37 N -0.82 2.53 -0.68 2.53 1.43 0.57 -4.72 118.68 119.52 1kyi s LEU 37 Ca 0.18 -1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 51.77 1kyi s LEU 37 Cb -0.14 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.42 1kyi s LEU 37 CO 0.08 -0.59 0.56 0.00 0.23 0.00 0.00 176.35 176.63 1kyi n TYR 38 N -0.93 -1.97 -3.62 0.29 4.19 -1.26 -2.07 117.16 111.78 1kyi n TYR 38 Ca -0.06 0.81 -0.29 0.00 3.31 0.00 0.00 57.90 61.67 1kyi n TYR 38 Cb 0.67 -2.30 0.05 0.00 0.49 0.00 0.00 39.34 38.24 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 -1.88 -5.31 -0.88 2.98 3.02 -1.26 -2.28 115.26 109.65 1kyi n ASN 39 Ca -0.25 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1kyi n ASN 39 Cb 0.64 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 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 -1.61 0.00 0.98 7.41 0.00 -0.88 -4.71 105.19 106.38 1kyi n GLY 40 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.88 2.26 -3.72 1.61 0.00 -0.97 -4.86 118.16 111.62 1kyi n LYS 41 Ca 0.00 -1.92 -0.11 0.00 -0.00 0.00 0.00 58.31 56.27 1kyi n LYS 41 Cb 0.00 -1.46 -0.12 0.00 -0.00 0.00 0.00 35.03 33.45 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 -1.47 -0.03 0.13 0.58 0.11 -1.14 -4.30 120.40 114.27 1kyi s VAL 42 Ca 0.37 0.10 -0.09 0.00 -2.93 0.00 0.00 61.98 59.43 1kyi s VAL 42 Cb 0.20 -0.50 -0.06 0.00 -1.53 0.00 0.00 36.38 34.49 1kyi s VAL 42 CO 0.28 0.04 0.44 -0.76 -3.33 0.00 0.00 175.10 171.78 1kyi s LEU 43 N 1.19 4.29 -0.08 2.54 1.43 0.23 -0.32 118.68 127.96 1kyi s LEU 43 Ca -0.08 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 1kyi s LEU 43 Cb -0.08 -3.23 0.04 0.00 0.03 0.00 0.00 46.19 42.95 1kyi s LEU 43 CO -0.09 0.09 0.18 0.00 0.23 0.00 0.00 176.35 176.76 1kyi s ALA 44 N -1.55 -0.35 0.03 4.21 0.00 -0.20 -0.59 121.76 123.31 1kyi s ALA 44 Ca 0.38 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.17 1kyi s ALA 44 Cb -0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1kyi s ALA 44 CO 0.20 -0.27 -0.20 0.20 0.00 0.00 0.00 175.76 175.69 1kyi s GLY 45 N 1.48 1.05 -0.01 0.00 0.00 -0.15 0.22 107.32 109.91 1kyi s GLY 45 Ca -0.06 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1kyi s GLY 45 CO -0.07 -0.90 -0.04 -0.11 0.00 0.00 0.00 173.10 171.98 1kyi s PHE 46 N -0.73 0.41 0.51 1.90 -0.71 -0.48 -0.52 117.98 118.36 1kyi s PHE 46 Ca 0.07 -0.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.92 1kyi s PHE 46 Cb -0.08 -0.28 -0.00 0.00 -1.21 0.00 0.00 43.02 41.44 1kyi s PHE 46 CO 0.01 -0.02 0.15 0.00 -1.34 0.00 0.00 175.22 174.02 1kyi s ALA 47 N -0.00 4.11 0.00 1.99 0.00 -0.78 -4.93 121.76 122.15 1kyi s ALA 47 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1kyi s ALA 47 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1kyi s ALA 47 CO -0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1kyi n GLY 48 N -1.41 -1.76 3.75 0.00 0.00 -1.26 -2.20 105.19 102.31 1kyi n GLY 48 Ca -0.11 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 2.98 0.00 -0.02 0.00 -0.43 -4.87 107.32 104.98 1kyi s GLY 49 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1kyi s GLY 49 CO 0.00 1.53 0.98 -1.30 0.00 0.00 0.00 173.10 174.32 1kyi n THR 50 N 1.70 0.00 0.01 0.90 -2.24 -1.26 0.21 114.28 113.59 1kyi n THR 50 Ca 0.00 1.48 -0.14 0.00 -2.27 0.00 0.00 64.05 63.13 1kyi n THR 50 Cb 0.46 -2.06 -0.09 0.00 -2.10 0.00 0.00 70.33 66.54 1kyi n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kyi h ALA 51 N -1.17 -0.86 -0.42 6.98 0.00 -1.97 0.25 119.26 122.06 1kyi h ALA 51 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1kyi h ALA 51 Cb 0.00 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1kyi h ALA 51 CO 0.00 -1.03 -0.09 -0.44 0.00 0.00 0.00 179.25 177.69 1kyi h ASP 52 N -0.54 -0.36 -0.70 0.00 5.19 -1.86 0.46 116.42 118.61 1kyi h ASP 52 Ca 0.02 0.12 0.15 0.00 -0.62 0.00 0.00 57.03 56.71 1kyi h ASP 52 Cb 0.61 0.25 -0.11 0.00 0.18 0.00 0.00 39.33 40.26 1kyi h ASP 52 CO -0.37 -0.13 0.06 0.00 -3.12 0.00 0.00 179.24 175.68 1kyi h ALA 53 N 1.42 0.77 -0.44 3.45 0.00 0.90 0.65 119.26 126.01 1kyi h ALA 53 Ca 0.21 0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1kyi h ALA 53 Cb 0.31 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1kyi h ALA 53 CO -0.43 -0.39 -0.06 0.74 0.00 0.00 0.00 179.25 179.12 1kyi h PHE 54 N 0.16 0.90 -0.39 0.00 -1.00 0.29 -2.00 116.94 114.89 1kyi h PHE 54 Ca 0.38 -0.18 -0.09 0.00 2.81 0.00 0.00 57.97 60.89 1kyi h PHE 54 Cb 0.65 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1kyi h PHE 54 CO -0.35 0.90 -0.14 1.79 -1.61 0.00 0.00 178.31 178.89 1kyi h THR 55 N 0.65 1.26 0.00 -1.55 1.35 0.18 0.64 112.91 115.45 1kyi h THR 55 Ca 0.12 -1.19 -0.03 0.00 -0.55 0.00 0.00 66.41 64.76 1kyi h THR 55 Cb 0.58 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1kyi h THR 55 CO 0.03 0.40 -0.16 0.25 -0.25 0.00 0.00 175.52 175.79 1kyi h LEU 56 N 0.65 0.00 0.00 3.87 7.12 0.34 0.76 115.31 128.05 1kyi h LEU 56 Ca 0.11 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 1kyi h LEU 56 Cb 0.61 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1kyi h LEU 56 CO 0.04 0.16 -0.04 0.15 -0.13 0.00 0.00 178.44 178.62 1kyi h PHE 57 N 0.00 0.00 -0.39 1.25 3.04 -0.57 -2.91 116.94 117.37 1kyi h PHE 57 Ca -0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1kyi h PHE 57 Cb 0.32 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 1kyi h PHE 57 CO 0.00 0.74 0.27 0.93 -2.02 0.00 0.00 178.31 178.23 1kyi h GLU 58 N -1.00 0.07 0.18 1.11 5.08 -0.69 -1.41 114.58 117.92 1kyi h GLU 58 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1kyi h GLU 58 Cb 0.74 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1kyi h GLU 58 CO -0.01 0.04 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.89 1kyi h LEU 59 N 0.07 -0.20 -1.72 1.33 4.07 -0.90 -2.77 115.31 115.18 1kyi h LEU 59 Ca 0.18 -0.29 0.13 0.00 0.08 0.00 0.00 57.88 57.99 1kyi h LEU 59 Cb 0.64 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.39 1kyi h LEU 59 CO -0.01 0.22 0.43 0.15 -1.08 0.00 0.00 178.44 178.15 1kyi h PHE 60 N -0.67 0.33 -0.07 1.13 3.57 -1.17 -2.08 116.94 117.97 1kyi h PHE 60 Ca -0.02 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1kyi h PHE 60 Cb 0.48 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1kyi h PHE 60 CO 0.05 0.14 -0.00 1.49 -2.23 0.00 0.00 178.31 177.76 1kyi h GLU 61 N 0.29 0.13 -0.39 1.11 4.81 -1.18 -0.06 114.58 119.29 1kyi h GLU 61 Ca 0.31 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1kyi h GLU 61 Cb 0.80 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1kyi h GLU 61 CO -0.07 0.41 0.26 0.00 -0.73 0.00 0.00 179.01 178.88 1kyi h ARG 62 N -0.16 0.47 -0.12 1.92 3.08 -1.10 0.52 114.38 118.98 1kyi h ARG 62 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1kyi h ARG 62 Cb 0.35 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1kyi h ARG 62 CO 0.00 0.31 -0.05 -0.22 -1.07 0.00 0.00 179.97 178.95 1kyi h LYS 63 N 0.48 0.25 -0.75 0.04 1.63 -1.19 -1.90 116.57 115.13 1kyi h LYS 63 Ca 0.15 -0.10 0.10 0.00 -0.85 0.00 0.00 60.65 59.95 1kyi h LYS 63 Cb 0.02 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 1kyi h LYS 63 CO -0.03 0.57 0.49 -0.07 -3.45 0.00 0.00 179.45 176.96 1kyi h LEU 64 N -0.09 0.56 -0.52 5.20 3.38 0.36 -0.36 115.31 123.84 1kyi h LEU 64 Ca 0.03 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1kyi h LEU 64 Cb 0.49 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1kyi h LEU 64 CO 0.02 0.33 -0.18 -0.33 0.09 0.00 0.00 178.44 178.37 1kyi h GLU 65 N 0.62 1.01 0.00 1.13 4.39 -0.64 -1.33 114.58 119.76 1kyi h GLU 65 Ca 0.35 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1kyi h GLU 65 Cb 0.53 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1kyi h GLU 65 CO -0.13 1.09 0.00 -1.33 -1.16 0.00 0.00 179.01 177.49 1kyi n MET 66 N -4.12 0.04 -2.30 2.33 2.81 -0.22 -4.03 117.12 111.63 1kyi n MET 66 Ca 0.01 0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.79 1kyi n MET 66 Cb 0.44 -1.55 0.02 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.62 2.49 -2.91 2.03 8.25 -0.73 -4.96 115.22 117.78 1kyi n HIS 67 Ca 0.06 -2.40 -0.15 0.00 -0.26 0.00 0.00 57.72 54.96 1kyi n HIS 67 Cb 0.31 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.61 -2.77 -1.79 -0.41 6.02 -1.24 -0.93 117.38 115.66 1kyi n GLN 68 Ca 0.34 0.40 -0.19 0.00 -0.01 0.00 0.00 57.00 57.55 1kyi n GLN 68 Cb 0.87 -5.02 -0.06 0.00 1.02 0.00 0.00 30.24 27.05 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 -0.90 1.14 3.55 1.08 0.00 -0.51 -4.92 105.19 104.63 1kyi n GLY 69 Ca -0.05 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.77 1.88 0.21 1.61 3.76 -0.11 -4.86 115.29 115.02 1kyi s HIS 70 Ca 0.00 0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 55.24 1kyi s HIS 70 Cb 0.00 -4.28 0.23 0.00 1.11 0.00 0.00 32.58 29.64 1kyi s HIS 70 CO 0.00 -2.22 1.61 1.25 -0.85 0.00 0.00 174.74 174.53 1kyi h LEU 71 N 15.28 -0.81 -0.05 0.89 7.12 -1.91 0.77 115.31 136.61 1kyi h LEU 71 Ca -0.25 0.21 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 1kyi h LEU 71 Cb 1.12 0.48 -0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1kyi h LEU 71 CO 1.24 -0.25 0.01 0.25 -0.13 0.00 0.00 178.44 179.56 1kyi h LEU 72 N -0.05 0.08 -0.45 2.25 7.12 -1.98 -1.77 115.31 120.51 1kyi h LEU 72 Ca 0.30 -0.25 -0.06 0.00 0.13 0.00 0.00 57.88 58.01 1kyi h LEU 72 Cb 0.52 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 1kyi h LEU 72 CO -0.71 0.31 0.06 0.50 -0.13 0.00 0.00 178.44 178.47 1kyi h LYS 73 N -0.15 0.75 -0.36 1.25 3.64 -1.84 -2.46 116.57 117.41 1kyi h LYS 73 Ca 0.02 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1kyi h LYS 73 Cb 0.26 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1kyi h LYS 73 CO 0.00 0.78 0.06 0.77 -2.27 0.00 0.00 179.45 178.79 1kyi h SER 74 N 0.61 -0.02 -0.14 4.20 0.02 -0.84 0.15 113.55 117.53 1kyi h SER 74 Ca 0.14 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1kyi h SER 74 Cb 0.40 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1kyi h SER 74 CO 0.01 0.03 -0.29 0.00 -1.14 0.00 0.00 176.83 175.44 1kyi h ALA 75 N 1.28 -0.31 -0.30 3.77 0.00 -1.11 -0.68 119.26 121.91 1kyi h ALA 75 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1kyi h ALA 75 Cb 0.20 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1kyi h ALA 75 CO -0.24 -0.76 0.18 0.28 0.00 0.00 0.00 179.25 178.72 1kyi h VAL 76 N -0.36 1.04 -0.78 0.00 2.07 -0.99 0.20 116.25 117.43 1kyi h VAL 76 Ca 0.10 -0.13 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1kyi h VAL 76 Cb 0.51 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1kyi h VAL 76 CO -0.34 0.07 0.39 -0.33 0.02 0.00 0.00 177.57 177.38 1kyi h GLU 77 N 0.37 0.60 -0.25 1.57 4.39 -0.29 0.51 114.58 121.49 1kyi h GLU 77 Ca 0.12 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1kyi h GLU 77 Cb -0.01 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1kyi h GLU 77 CO -0.05 0.40 -0.13 1.25 -1.16 0.00 0.00 179.01 179.32 1kyi h LEU 78 N 0.62 0.56 -0.71 1.33 5.85 -0.62 -2.94 115.31 119.41 1kyi h LEU 78 Ca 0.40 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1kyi h LEU 78 Cb 0.49 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1kyi h LEU 78 CO -0.31 0.85 0.39 0.00 -0.34 0.00 0.00 178.44 179.02 1kyi h ALA 79 N 0.73 0.97 0.00 1.25 0.00 0.36 -0.99 119.26 121.57 1kyi h ALA 79 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kyi h ALA 79 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1kyi h ALA 79 CO 0.04 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.96 1kyi n LYS 80 N -4.80 0.01 -0.46 0.00 5.02 0.08 -1.41 118.16 116.60 1kyi n LYS 80 Ca 0.10 0.36 0.06 0.00 -2.02 0.00 0.00 58.31 56.81 1kyi n LYS 80 Cb 0.22 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.37 3.58 0.00 4.39 10.43 -0.38 -3.80 116.55 129.39 1kyi n ASP 81 Ca 0.00 -2.37 0.00 0.00 2.57 0.00 0.00 54.79 55.00 1kyi n ASP 81 Cb 0.01 -0.51 0.00 0.00 1.84 0.00 0.00 41.12 42.46 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 0.65 0.00 -0.79 1.24 8.01 -0.50 -3.63 117.44 122.42 1kyi n TRP 82 Ca 0.18 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.28 1kyi n TRP 82 Cb 0.70 0.01 -0.12 0.00 -2.01 0.00 0.00 31.31 29.88 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 -1.97 1.58 -2.43 -0.99 3.00 -1.06 -4.70 116.66 110.09 1kyi n ARG 83 Ca 0.00 -0.72 -0.04 0.00 -0.01 0.00 0.00 57.85 57.07 1kyi n ARG 83 Cb 0.22 -1.80 -0.02 0.00 0.00 0.00 0.00 32.46 30.87 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 2.42 0.00 0.32 0.55 -2.24 -1.26 -4.95 114.28 109.12 1kyi n THR 84 Ca 0.31 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1kyi n THR 84 Cb 0.73 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.49 -0.68 -1.16 3.42 5.19 -1.96 -3.37 116.42 118.34 1kyi h ASP 85 Ca -0.06 0.02 -0.57 0.00 -0.62 0.00 0.00 57.03 55.80 1kyi h ASP 85 Cb 0.29 0.18 -0.09 0.00 0.18 0.00 0.00 39.33 39.88 1kyi h ASP 85 CO 0.08 -0.48 1.42 -0.13 -3.12 0.00 0.00 179.24 177.01 1kyi s ARG 86 N -4.72 3.49 0.98 3.56 1.81 -1.26 -4.99 118.95 117.81 1kyi s ARG 86 Ca -0.12 -1.00 -0.15 0.00 -1.72 0.00 0.00 55.73 52.74 1kyi s ARG 86 Cb 0.01 -5.26 -0.08 0.00 -0.45 0.00 0.00 34.95 29.17 1kyi s ARG 86 CO 0.35 -2.29 -0.36 0.00 -0.68 0.00 0.00 175.30 172.32 1kyi n ALA 87 N 9.30 -4.45 -0.12 2.13 0.00 -1.26 -4.87 120.51 121.24 1kyi n ALA 87 Ca 0.32 -0.66 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 1kyi n ALA 87 Cb 0.51 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 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 1.73 1.99 0.00 0.00 0.00 -1.24 -5.00 117.00 114.48 1kyi n LEU 88 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1kyi n LEU 88 Cb 0.55 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.53 1kyi n LEU 88 CO 0.52 0.79 0.00 -1.14 0.00 0.00 0.00 177.39 177.56 1kyi n ARG 89 N -3.09 0.00 -1.74 1.96 0.63 -1.26 -5.07 116.66 108.08 1kyi n ARG 89 Ca -0.42 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.09 1kyi n ARG 89 Cb 1.05 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.93 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 -4.01 4.14 -0.17 -0.14 0.00 -1.26 -4.94 119.74 113.37 1kyi s LYS 90 Ca 0.00 2.57 -0.04 0.00 0.00 0.00 0.00 55.97 58.49 1kyi s LYS 90 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 37.83 34.29 1kyi s LYS 90 CO 0.00 -0.81 -0.02 -0.51 0.00 0.00 0.00 175.35 174.01 1kyi s LEU 91 N 2.48 3.35 -1.36 2.77 1.43 -0.27 -5.02 118.68 122.05 1kyi s LEU 91 Ca 0.79 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.66 1kyi s LEU 91 Cb -0.46 -1.82 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1kyi s LEU 91 CO 0.35 0.16 1.99 1.21 0.23 0.00 0.00 176.35 180.29 1kyi n GLU 92 N 3.61 3.19 -3.57 1.70 2.13 -1.26 -3.84 120.64 122.61 1kyi n GLU 92 Ca -0.17 -3.10 -0.12 0.00 0.66 0.00 0.00 57.16 54.43 1kyi n GLU 92 Cb 0.52 -3.17 -0.05 0.00 0.27 0.00 0.00 31.44 29.01 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 2.26 -1.91 0.16 4.31 0.00 -1.26 -1.31 121.76 124.00 1kyi s ALA 93 Ca 0.45 1.56 0.09 0.00 0.00 0.00 0.00 51.96 54.06 1kyi s ALA 93 Cb 0.10 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1kyi s ALA 93 CO -0.03 -0.32 -0.19 -1.64 0.00 0.00 0.00 175.76 173.58 1kyi s MET 94 N -1.05 1.28 0.12 0.00 -1.94 -0.93 -1.53 119.30 115.24 1kyi s MET 94 Ca -0.03 -1.38 0.07 0.00 -1.71 0.00 0.00 55.69 52.65 1kyi s MET 94 Cb -0.01 -1.41 -0.04 0.00 2.01 0.00 0.00 34.83 35.39 1kyi s MET 94 CO 0.03 0.30 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.65 1kyi s LEU 95 N -2.52 2.36 -0.19 -0.03 1.43 0.81 -1.86 118.68 118.69 1kyi s LEU 95 Ca 0.15 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1kyi s LEU 95 Cb -0.07 -0.72 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1kyi s LEU 95 CO 0.07 -0.04 -0.15 -0.63 0.23 0.00 0.00 176.35 175.82 1kyi s ILE 96 N -1.69 1.87 0.10 -0.59 1.01 0.33 -1.36 121.20 120.86 1kyi s ILE 96 Ca 0.08 -0.96 0.10 0.00 0.00 0.00 0.00 60.65 59.87 1kyi s ILE 96 Cb -0.07 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1kyi s ILE 96 CO 0.04 0.37 -0.26 0.68 0.00 0.00 0.00 174.94 175.77 1kyi s VAL 97 N 1.34 2.17 -0.17 2.92 -7.23 0.87 -0.98 120.40 119.32 1kyi s VAL 97 Ca 0.02 -1.61 -0.26 0.00 -1.81 0.00 0.00 61.98 58.33 1kyi s VAL 97 Cb -0.14 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 34.96 1kyi s VAL 97 CO -0.10 0.18 0.65 0.00 -0.31 0.00 0.00 175.10 175.52 1kyi s ALA 98 N -0.97 -1.65 0.36 1.32 0.00 0.24 0.60 121.76 121.66 1kyi s ALA 98 Ca 0.13 1.60 0.05 0.00 0.00 0.00 0.00 51.96 53.73 1kyi s ALA 98 Cb -0.10 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 1kyi s ALA 98 CO 0.04 -0.33 0.18 0.16 0.00 0.00 0.00 175.76 175.81 1kyi s ASP 99 N -0.28 2.20 0.31 0.00 3.84 -0.15 0.76 116.67 123.35 1kyi s ASP 99 Ca -0.05 -1.67 0.03 0.00 -0.00 0.00 0.00 52.55 50.86 1kyi s ASP 99 Cb -0.03 0.49 0.79 0.00 -1.38 0.00 0.00 42.92 42.79 1kyi s ASP 99 CO 0.04 -0.96 1.58 1.05 -0.00 0.00 0.00 175.17 176.89 1kyi h GLU 100 N 1.98 0.03 0.00 2.11 4.11 -1.93 -3.04 114.58 117.84 1kyi h GLU 100 Ca -0.32 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.05 1kyi h GLU 100 Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1kyi h GLU 100 CO 0.50 0.02 -0.34 1.57 0.07 0.00 0.00 179.01 180.83 1kyi h LYS 101 N 0.03 0.00 -6.01 1.06 2.10 -1.96 -3.49 116.57 108.30 1kyi h LYS 101 Ca 0.61 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.65 1kyi h LYS 101 Cb 1.29 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.49 1kyi h LYS 101 CO -0.88 0.85 -0.69 -1.21 -2.00 0.00 0.00 179.45 175.53 1kyi s GLU 102 N -2.19 1.84 -0.05 0.07 0.41 -1.15 -5.14 118.70 112.49 1kyi s GLU 102 Ca -0.19 -1.87 0.02 0.00 -0.41 0.00 0.00 54.97 52.52 1kyi s GLU 102 Cb -0.00 -1.76 0.01 0.00 -1.78 0.00 0.00 34.13 30.60 1kyi s GLU 102 CO 0.57 0.18 -0.12 -1.12 -0.49 0.00 0.00 175.26 174.29 1kyi s SER 103 N -3.60 1.66 0.04 -0.19 0.01 -1.26 -0.98 113.70 109.37 1kyi s SER 103 Ca 0.32 -0.27 -0.06 0.00 1.31 0.00 0.00 55.95 57.25 1kyi s SER 103 Cb 0.00 -0.69 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 1kyi s SER 103 CO 0.17 0.04 0.11 -0.22 0.41 0.00 0.00 173.24 173.75 1kyi s LEU 104 N 0.54 1.72 -0.16 2.44 2.96 0.20 -4.49 118.68 121.90 1kyi s LEU 104 Ca -0.11 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 1kyi s LEU 104 Cb -0.14 0.66 0.02 0.00 0.50 0.00 0.00 46.19 47.23 1kyi s LEU 104 CO 0.03 -0.51 -0.18 -0.51 -1.32 0.00 0.00 176.35 173.86 1kyi s ILE 105 N -2.53 1.82 -0.07 6.68 2.07 -0.62 -0.09 121.20 128.46 1kyi s ILE 105 Ca -0.06 -0.80 0.02 0.00 -1.41 0.00 0.00 60.65 58.41 1kyi s ILE 105 Cb -0.02 -1.66 -0.03 0.00 0.13 0.00 0.00 42.46 40.89 1kyi s ILE 105 CO -0.04 0.50 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.75 1kyi s ILE 106 N 1.28 3.38 0.37 2.00 1.01 -0.46 -0.52 121.20 128.25 1kyi s ILE 106 Ca 0.02 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1kyi s ILE 106 Cb -0.13 -2.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 1kyi s ILE 106 CO -0.10 0.58 0.05 0.42 0.00 0.00 0.00 174.94 175.90 1kyi s THR 107 N -0.62 2.42 -2.00 2.92 -4.23 -1.19 -0.13 115.64 112.80 1kyi s THR 107 Ca 0.09 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1kyi s THR 107 Cb -0.11 -2.88 0.10 0.00 1.34 0.00 0.00 72.50 70.95 1kyi s THR 107 CO 0.01 -0.11 1.03 0.61 -0.54 0.00 0.00 174.62 175.62 1kyi n GLY 108 N -1.02 -0.89 0.06 3.99 0.00 -0.58 -2.27 105.19 104.48 1kyi n GLY 108 Ca -0.04 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.56 1.09 -2.22 -0.61 -5.35 -1.26 -1.12 119.36 109.33 1kyi n ILE 109 Ca 0.03 -1.21 -0.02 0.00 -0.27 0.00 0.00 62.75 61.27 1kyi n ILE 109 Cb 0.01 0.33 -0.02 0.00 -1.74 0.00 0.00 39.64 38.22 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 -0.70 -4.15 3.22 3.28 0.00 -0.96 -4.74 105.19 101.14 1kyi n GLY 110 Ca 0.05 0.66 0.04 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.69 -0.20 -0.05 1.61 3.84 -1.26 -4.77 116.67 115.15 1kyi s ASP 111 Ca -0.10 0.25 -0.12 0.00 -0.00 0.00 0.00 52.55 52.57 1kyi s ASP 111 Cb 0.01 1.22 -0.05 0.00 -1.38 0.00 0.00 42.92 42.71 1kyi s ASP 111 CO 0.50 -0.04 0.32 0.68 -0.00 0.00 0.00 175.17 176.63 1kyi s VAL 112 N 2.28 5.20 -0.05 2.11 -7.23 -1.26 -3.15 120.40 118.29 1kyi s VAL 112 Ca -0.01 0.62 0.04 0.00 -1.81 0.00 0.00 61.98 60.82 1kyi s VAL 112 Cb -0.03 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 33.30 1kyi s VAL 112 CO -0.15 0.58 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.36 1kyi s VAL 113 N -0.98 1.46 0.29 1.32 1.01 0.32 -4.98 120.40 118.85 1kyi s VAL 113 Ca 0.21 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1kyi s VAL 113 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1kyi s VAL 113 CO 0.10 0.42 0.52 -1.10 0.00 0.00 0.00 175.10 175.05 1kyi s GLN 114 N 0.15 3.56 1.01 2.72 -0.21 -1.26 -1.58 119.66 124.05 1kyi s GLN 114 Ca -0.07 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.01 1kyi s GLN 114 Cb -0.13 -2.68 0.19 0.00 1.00 0.00 0.00 33.01 31.39 1kyi s GLN 114 CO 0.03 0.22 1.12 -2.14 -2.12 0.00 0.00 175.29 172.40 1kyi s PRO 115 N -3.77 0.36 0.62 2.91 0.02 -1.26 -4.97 135.00 128.90 1kyi s PRO 115 Ca 0.42 0.29 -0.09 0.00 0.02 0.00 0.00 61.00 61.64 1kyi s PRO 115 Cb -0.10 -1.75 0.14 0.00 0.02 0.00 0.00 34.50 32.81 1kyi s PRO 115 CO 0.32 -2.73 0.84 0.39 -0.33 0.00 0.00 177.00 175.49 1kyi n GLU 116 N -4.13 -0.65 -0.27 5.54 1.02 -1.26 -4.87 120.64 116.01 1kyi n GLU 116 Ca 0.07 -1.47 0.04 0.00 -0.02 0.00 0.00 57.16 55.78 1kyi n GLU 116 Cb 0.58 -0.81 0.13 0.00 -0.02 0.00 0.00 31.44 31.32 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 -1.77 114.58 118.46 1kyi h GLU 117 Ca -0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1kyi h GLU 117 Cb 0.79 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1kyi h GLU 117 CO 0.21 0.02 0.17 -0.40 0.07 0.00 0.00 179.01 179.08 1kyi n ASP 118 N -5.46 0.29 -2.51 3.06 5.68 -1.26 -4.82 116.55 111.52 1kyi n ASP 118 Ca 0.13 0.55 -0.19 0.00 -0.50 0.00 0.00 54.79 54.78 1kyi n ASP 118 Cb 0.44 -0.55 0.03 0.00 -1.14 0.00 0.00 41.12 39.91 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 -1.89 -3.93 -4.88 0.11 -0.06 -0.67 -4.79 117.38 101.27 1kyi n GLN 119 Ca -0.01 0.77 -0.33 0.00 -2.00 0.00 0.00 57.00 55.44 1kyi n GLN 119 Cb 0.19 -5.31 -0.14 0.00 -4.06 0.00 0.00 30.24 20.91 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 -3.06 2.93 0.01 1.69 1.01 -1.26 -3.57 121.20 118.94 1kyi s ILE 120 Ca 0.24 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1kyi s ILE 120 Cb -0.10 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1kyi s ILE 120 CO 0.29 0.56 -0.06 -0.76 0.00 0.00 0.00 174.94 174.97 1kyi s LEU 121 N -0.12 2.06 -0.11 2.97 1.43 -0.61 -4.60 118.68 119.70 1kyi s LEU 121 Ca -0.02 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 1kyi s LEU 121 Cb -0.14 -0.26 0.04 0.00 0.03 0.00 0.00 46.19 45.86 1kyi s LEU 121 CO 0.04 0.01 0.43 0.00 0.23 0.00 0.00 176.35 177.06 1kyi s ALA 122 N -0.38 -1.08 0.18 4.21 0.00 -1.26 0.56 121.76 123.99 1kyi s ALA 122 Ca -0.00 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 1kyi s ALA 122 Cb -0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1kyi s ALA 122 CO -0.00 -0.24 0.11 0.96 0.00 0.00 0.00 175.76 176.58 1kyi s ILE 123 N -0.41 0.06 0.00 0.00 -4.36 0.88 -4.82 121.20 112.54 1kyi s ILE 123 Ca -0.05 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1kyi s ILE 123 Cb -0.03 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.30 1kyi s ILE 123 CO 0.03 -0.13 0.00 0.61 0.24 0.00 0.00 174.94 175.69 1kyi n GLY 124 N -0.23 2.55 0.38 6.27 0.00 -1.26 -1.16 105.19 111.73 1kyi n GLY 124 Ca -0.00 -1.93 0.17 0.00 0.00 0.00 0.00 46.02 44.26 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 0.61 -0.84 1.61 4.64 -1.72 0.53 113.55 118.38 1kyi h SER 125 Ca 0.00 0.08 -0.40 0.00 -0.47 0.00 0.00 61.79 61.00 1kyi h SER 125 Cb 0.00 -0.02 -0.24 0.00 -0.31 0.00 0.00 62.40 61.83 1kyi h SER 125 CO 0.00 0.19 0.51 0.61 -0.87 0.00 0.00 176.83 177.27 1kyi n GLY 126 N -1.41 4.04 0.18 -0.77 0.00 -1.00 -4.64 105.19 101.59 1kyi n GLY 126 Ca 0.23 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 1.69 -0.39 1.77 -0.02 0.00 -0.06 -2.99 103.07 103.08 1kyi h GLY 127 Ca 0.50 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1kyi h GLY 127 CO 0.91 -0.14 0.10 3.43 0.00 0.00 0.00 176.54 180.85 1kyi h ASN 128 N -0.62 0.27 0.46 0.19 2.35 -1.82 0.33 115.58 116.74 1kyi h ASN 128 Ca -0.04 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1kyi h ASN 128 Cb 0.44 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1kyi h ASN 128 CO 0.06 0.23 -0.25 1.88 -1.65 0.00 0.00 177.43 177.70 1kyi h TYR 129 N 0.31 -0.67 -0.98 1.19 0.99 -1.88 0.45 116.97 116.38 1kyi h TYR 129 Ca 0.08 -0.01 0.19 0.00 2.00 0.00 0.00 58.73 60.99 1kyi h TYR 129 Cb 0.04 0.23 -0.09 0.00 1.00 0.00 0.00 36.73 37.91 1kyi h TYR 129 CO 0.00 -0.39 0.61 0.00 -0.00 0.00 0.00 178.16 178.38 1kyi h ALA 130 N -1.59 1.80 0.04 3.88 0.00 -1.32 0.06 119.26 122.14 1kyi h ALA 130 Ca -0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kyi h ALA 130 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kyi h ALA 130 CO 0.08 -0.14 -0.02 1.25 0.00 0.00 0.00 179.25 180.42 1kyi h LEU 131 N 0.70 -0.04 0.39 0.00 5.85 -0.01 0.26 115.31 122.45 1kyi h LEU 131 Ca 0.54 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 1kyi h LEU 131 Cb 0.93 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1kyi h LEU 131 CO -0.31 0.06 -0.23 0.28 -0.34 0.00 0.00 178.44 177.90 1kyi h SER 132 N -0.14 -0.56 -0.60 1.25 0.02 0.13 0.19 113.55 113.83 1kyi h SER 132 Ca -0.01 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1kyi h SER 132 Cb 0.13 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 1kyi h SER 132 CO 0.01 -0.36 0.25 0.00 -1.14 0.00 0.00 176.83 175.59 1kyi h ALA 133 N 0.01 0.79 -0.46 3.77 0.00 -1.02 -1.31 119.26 121.03 1kyi h ALA 133 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1kyi h ALA 133 Cb 0.47 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1kyi h ALA 133 CO 0.05 -0.15 0.21 0.00 0.00 0.00 0.00 179.25 179.37 1kyi h ALA 134 N 1.39 0.60 -0.73 0.00 0.00 0.00 -1.64 119.26 118.88 1kyi h ALA 134 Ca 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kyi h ALA 134 Cb 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1kyi h ALA 134 CO -0.27 0.17 0.45 0.00 0.00 0.00 0.00 179.25 179.60 1kyi h ARG 135 N 0.61 0.99 0.50 0.00 3.08 -0.26 -0.98 114.38 118.32 1kyi h ARG 135 Ca 0.16 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1kyi h ARG 135 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1kyi h ARG 135 CO -0.02 0.70 -0.43 0.00 -1.07 0.00 0.00 179.97 179.15 1kyi h ALA 136 N 1.24 -0.98 -0.94 0.04 0.00 -0.84 -1.40 119.26 116.37 1kyi h ALA 136 Ca 0.26 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1kyi h ALA 136 Cb -0.05 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1kyi h ALA 136 CO -0.05 -1.09 0.61 -0.07 0.00 0.00 0.00 179.25 178.66 1kyi h LEU 137 N -0.92 1.02 -0.71 0.00 4.07 -1.13 -0.12 115.31 117.52 1kyi h LEU 137 Ca -0.05 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.78 1kyi h LEU 137 Cb 0.79 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1kyi h LEU 137 CO -0.02 0.70 -0.30 0.58 -1.08 0.00 0.00 178.44 178.32 1kyi h VAL 138 N 1.18 1.28 0.00 1.22 2.07 -1.03 -1.48 116.25 119.49 1kyi h VAL 138 Ca 0.37 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1kyi h VAL 138 Cb 0.01 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1kyi h VAL 138 CO -0.11 0.46 -0.22 -0.33 0.02 0.00 0.00 177.57 177.38 1kyi h GLU 139 N 0.57 0.00 0.00 1.57 5.08 -0.77 -3.38 114.58 117.64 1kyi h GLU 139 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1kyi h GLU 139 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1kyi h GLU 139 CO 0.07 0.00 -0.02 0.09 -1.00 0.00 0.00 179.01 178.14 1kyi n ASN 140 N -3.00 1.69 -3.52 1.42 3.02 -0.10 -5.08 115.26 109.69 1kyi n ASN 140 Ca 0.03 -2.07 -0.12 0.00 -0.03 0.00 0.00 54.58 52.39 1kyi n ASN 140 Cb 0.53 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 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 -1.18 0.00 -1.24 3.41 -4.23 -0.57 -4.99 115.64 106.84 1kyi s THR 141 Ca 0.06 -1.48 0.15 0.00 -1.18 0.00 0.00 61.69 59.24 1kyi s THR 141 Cb 0.06 -2.50 0.45 0.00 1.34 0.00 0.00 72.50 71.84 1kyi s THR 141 CO 0.01 0.00 1.38 -0.62 -0.54 0.00 0.00 174.62 174.84 1kyi n GLU 142 N -0.48 2.88 -1.54 3.99 -0.58 -1.26 -4.77 120.64 118.87 1kyi n GLU 142 Ca -0.01 -2.33 -0.42 0.00 -0.42 0.00 0.00 57.16 53.98 1kyi n GLU 142 Cb 0.62 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 30.07 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 1.44 -4.69 -4.62 4.77 -1.26 -4.95 117.00 108.56 1kyi n LEU 143 Ca 0.17 1.01 -0.29 0.00 -0.03 0.00 0.00 56.01 56.87 1kyi n LEU 143 Cb 0.54 -1.24 0.17 0.00 -2.33 0.00 0.00 43.42 40.55 1kyi n LEU 143 CO 0.12 -2.03 0.65 -0.94 -1.33 0.00 0.00 177.39 173.86 1kyi s SER 144 N -0.81 2.83 0.09 -1.43 1.04 -1.26 -4.81 113.70 109.35 1kyi s SER 144 Ca 0.63 1.26 -0.25 0.00 0.48 0.00 0.00 55.95 58.07 1kyi s SER 144 Cb -0.61 -1.93 -0.13 0.00 0.10 0.00 0.00 66.02 63.45 1kyi s SER 144 CO 0.57 -3.01 1.70 0.00 0.98 0.00 0.00 173.24 173.48 1kyi h ALA 145 N -1.81 -0.22 -0.38 5.32 0.00 -1.91 -2.05 119.26 118.21 1kyi h ALA 145 Ca -0.53 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.42 1kyi h ALA 145 Cb 1.32 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 1kyi h ALA 145 CO 0.57 -0.64 -0.22 1.25 0.00 0.00 0.00 179.25 180.21 1kyi h HIS 146 N -0.25 -0.56 0.21 0.00 -0.00 -1.92 -1.47 115.15 111.16 1kyi h HIS 146 Ca -0.00 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1kyi h HIS 146 Cb 0.23 0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 1kyi h HIS 146 CO -0.11 -0.30 -0.22 0.93 -0.00 0.00 0.00 177.93 178.23 1kyi h GLU 147 N -0.15 -0.45 -0.96 5.26 5.08 -1.88 -0.96 114.58 120.52 1kyi h GLU 147 Ca 0.19 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.73 1kyi h GLU 147 Cb 0.44 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1kyi h GLU 147 CO -0.47 -0.30 0.57 0.82 -1.00 0.00 0.00 179.01 178.62 1kyi h ILE 148 N -0.47 0.80 0.87 3.13 2.04 -1.09 0.56 117.51 123.34 1kyi h ILE 148 Ca 0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1kyi h ILE 148 Cb 0.45 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1kyi h ILE 148 CO -0.06 0.15 -0.42 0.58 0.00 0.00 0.00 178.15 178.40 1kyi h VAL 149 N 0.81 0.05 -0.46 1.67 2.07 -0.83 0.18 116.25 119.74 1kyi h VAL 149 Ca 0.51 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 68.01 1kyi h VAL 149 Cb 0.67 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 1kyi h VAL 149 CO -0.33 0.00 -0.20 -0.08 0.02 0.00 0.00 177.57 176.98 1kyi h GLU 150 N -1.27 -0.10 0.50 1.57 4.57 -0.68 -0.05 114.58 119.11 1kyi h GLU 150 Ca -0.12 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1kyi h GLU 150 Cb 0.90 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1kyi h GLU 150 CO 0.20 -0.07 -0.26 0.87 -1.18 0.00 0.00 179.01 178.57 1kyi h LYS 151 N -0.10 -0.67 -0.94 1.92 1.57 0.21 -2.88 116.57 115.67 1kyi h LYS 151 Ca 0.22 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.09 1kyi h LYS 151 Cb 0.44 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1kyi h LYS 151 CO -0.53 -0.45 0.61 0.77 -0.57 0.00 0.00 179.45 179.28 1kyi h SER 152 N -0.70 1.00 -0.57 0.86 0.02 -0.33 -2.00 113.55 111.83 1kyi h SER 152 Ca -0.06 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1kyi h SER 152 Cb 0.55 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 1kyi h SER 152 CO 0.09 0.67 0.13 -0.07 -1.14 0.00 0.00 176.83 176.52 1kyi h LEU 153 N 1.16 0.03 -0.06 5.07 3.38 -0.92 -1.15 115.31 122.82 1kyi h LEU 153 Ca 0.38 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 1kyi h LEU 153 Cb 0.05 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1kyi h LEU 153 CO -0.13 0.03 0.00 -0.09 0.09 0.00 0.00 178.44 178.34 1kyi h ARG 154 N 0.27 0.10 -0.88 1.13 2.43 -1.19 0.68 114.38 116.92 1kyi h ARG 154 Ca 0.29 -0.03 0.26 0.00 -0.81 0.00 0.00 59.98 59.69 1kyi h ARG 154 Cb 0.41 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1kyi h ARG 154 CO -0.36 0.37 0.65 0.82 -1.51 0.00 0.00 179.97 179.93 1kyi h ILE 155 N -0.18 0.53 0.15 1.20 2.04 -0.76 -0.06 117.51 120.43 1kyi h ILE 155 Ca 0.02 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.54 1kyi h ILE 155 Cb 0.32 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1kyi h ILE 155 CO 0.00 0.00 -1.68 0.00 0.00 0.00 0.00 178.15 176.47 1kyi h ALA 156 N 1.53 0.25 0.00 1.87 0.00 -0.76 -3.27 119.26 118.88 1kyi h ALA 156 Ca 0.42 -1.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1kyi h ALA 156 Cb 1.71 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1kyi h ALA 156 CO -0.00 1.12 -0.03 0.78 0.00 0.00 0.00 179.25 181.12 1kyi h GLY 157 N 1.24 0.00 1.90 0.00 0.00 0.97 0.17 103.07 107.34 1kyi h GLY 157 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1kyi h GLY 157 CO 0.16 0.00 -0.17 -0.55 0.00 0.00 0.00 176.54 175.98 1kyi h ASP 158 N 0.00 0.00 0.00 0.19 3.45 -1.37 -3.36 116.42 115.33 1kyi h ASP 158 Ca -0.00 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.16 1kyi h ASP 158 Cb 0.25 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.97 1kyi h ASP 158 CO 0.00 0.07 -2.15 -0.38 -1.57 0.00 0.00 179.24 175.22 1kyi n ILE 159 N -3.08 1.15 -3.09 0.35 5.41 -0.66 -4.96 119.36 114.48 1kyi n ILE 159 Ca 0.03 -0.51 -0.39 0.00 1.00 0.00 0.00 62.75 62.88 1kyi n ILE 159 Cb 0.56 -1.06 -0.05 0.00 -0.71 0.00 0.00 39.64 38.38 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 3.86 0.00 0.18 0.00 0.24 -1.26 -2.77 118.33 118.59 1kyi n VAL 161 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.30 1kyi n VAL 161 Cb 0.51 -0.34 -0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.80 0.00 -4.59 6.34 3.72 -1.26 -4.96 117.46 115.91 1kyi n PHE 162 Ca 0.13 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.20 1kyi n PHE 162 Cb 0.06 0.00 -0.14 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 -0.83 3.26 0.00 4.37 2.01 -1.11 -4.37 115.64 118.96 1kyi s THR 163 Ca 0.03 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1kyi s THR 163 Cb 0.03 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.15 1kyi s THR 163 CO 0.10 0.51 0.00 -0.46 -0.69 0.00 0.00 174.62 174.08 1kyi n ASN 164 N 3.68 0.41 -0.36 3.53 2.04 -1.26 -4.57 115.26 118.72 1kyi n ASN 164 Ca -0.18 -0.63 0.08 0.00 -0.44 0.00 0.00 54.58 53.41 1kyi n ASN 164 Cb 0.52 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.77 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 -0.50 0.00 -2.20 5.53 -2.24 -1.26 -4.57 114.28 109.04 1kyi n THR 165 Ca 0.00 -0.34 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 1kyi n THR 165 Cb 0.00 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.87 5.54 0.42 3.42 3.84 -1.26 -4.97 114.94 120.07 1kyi s ASN 166 Ca 0.13 -0.23 -0.03 0.00 0.21 0.00 0.00 52.86 52.94 1kyi s ASN 166 Cb 0.13 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.24 1kyi s ASN 166 CO 0.40 -2.27 0.68 -0.36 -2.79 0.00 0.00 177.10 172.76 1kyi s PHE 167 N 8.22 3.53 -0.21 0.43 2.99 -1.26 -1.59 117.98 130.09 1kyi s PHE 167 Ca 0.59 0.63 -0.04 0.00 0.00 0.00 0.00 56.93 58.11 1kyi s PHE 167 Cb -0.09 -2.14 0.07 0.00 0.00 0.00 0.00 43.02 40.86 1kyi s PHE 167 CO 0.12 -0.09 0.08 0.99 -0.00 0.00 0.00 175.22 176.32 1kyi s THR 168 N -2.53 0.14 -0.04 0.64 2.01 -0.36 -4.97 115.64 110.55 1kyi s THR 168 Ca 0.44 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.04 1kyi s THR 168 Cb -0.10 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 1kyi s THR 168 CO 0.40 -0.37 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.13 1kyi s ILE 169 N 2.02 2.57 -0.04 1.82 1.01 -1.26 -2.36 121.20 124.97 1kyi s ILE 169 Ca 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1kyi s ILE 169 Cb -0.16 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1kyi s ILE 169 CO -0.15 0.59 -0.07 -1.61 0.00 0.00 0.00 174.94 173.69 1kyi s GLU 170 N -0.66 0.93 0.28 2.79 0.41 -0.24 -5.01 118.70 117.21 1kyi s GLU 170 Ca 0.10 -0.22 0.12 0.00 -0.41 0.00 0.00 54.97 54.56 1kyi s GLU 170 Cb -0.10 -0.87 -0.05 0.00 -1.78 0.00 0.00 34.13 31.32 1kyi s GLU 170 CO -0.00 0.02 -0.18 -1.83 -0.49 0.00 0.00 175.26 172.78 1kyi s GLU 171 N 0.53 1.74 -0.34 1.61 -1.05 -1.26 -0.77 118.70 119.16 1kyi s GLU 171 Ca -0.08 -1.74 -0.03 0.00 -0.15 0.00 0.00 54.97 52.97 1kyi s GLU 171 Cb -0.11 -1.80 0.07 0.00 -0.44 0.00 0.00 34.13 31.84 1kyi s GLU 171 CO 0.01 0.32 0.09 -0.51 0.95 0.00 0.00 175.26 176.12 1kyi s LEU 172 N -3.53 4.46 0.00 1.83 1.43 0.14 -4.98 118.68 118.03 1kyi s LEU 172 Ca 0.30 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 1kyi s LEU 172 Cb -0.05 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1kyi s LEU 172 CO 0.16 -0.37 0.20 -2.65 0.23 0.00 0.00 176.35 173.92