#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy s ILE 2 N 0.00 4.46 0.17 2.02 -1.09 0.36 -4.78 121.20 122.34 3kiy s ILE 2 Ca 0.00 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.21 3kiy s ILE 2 Cb 0.00 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 3kiy s ILE 2 CO 0.00 0.12 -0.03 0.00 -1.23 0.00 0.00 174.94 173.80 3kiy s GLN 3 N 1.16 1.10 0.21 2.79 -2.07 -1.26 0.11 119.66 121.70 3kiy s GLN 3 Ca 0.55 -1.51 -0.32 0.00 -1.82 0.00 0.00 55.36 52.26 3kiy s GLN 3 Cb -0.25 -0.41 -0.11 0.00 -1.09 0.00 0.00 33.01 31.15 3kiy s GLN 3 CO 0.28 -0.06 1.66 -1.25 -1.32 0.00 0.00 175.29 174.60 3kiy s PRO 4 N -3.85 4.15 0.00 9.60 0.04 -1.26 -1.13 135.00 142.54 3kiy s PRO 4 Ca 0.21 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.79 3kiy s PRO 4 Cb 0.05 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.51 3kiy s PRO 4 CO 0.03 -0.69 0.00 0.94 0.04 0.00 0.00 177.00 177.32 3kiy n GLN 5 N 3.65 0.00 -2.41 4.56 -0.06 0.27 -4.96 117.38 118.42 3kiy n GLN 5 Ca 0.14 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.73 3kiy n GLN 5 Cb 0.36 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.51 3kiy n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3kiy s THR 6 N -2.45 3.37 -0.11 1.69 2.01 -0.28 -4.68 115.64 115.18 3kiy s THR 6 Ca 0.00 1.36 -0.19 0.00 0.31 0.00 0.00 61.69 63.17 3kiy s THR 6 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3kiy s THR 6 CO 0.00 0.31 0.50 -0.31 -0.69 0.00 0.00 174.62 174.44 3kiy s TYR 7 N -1.03 3.52 0.02 4.92 1.51 -1.26 -0.59 117.35 124.42 3kiy s TYR 7 Ca 0.46 0.93 0.04 0.00 -1.01 0.00 0.00 57.07 57.49 3kiy s TYR 7 Cb -0.33 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 3kiy s TYR 7 CO 0.42 0.15 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.41 3kiy s LEU 8 N 0.67 3.02 -0.36 -1.29 2.01 0.18 -4.79 118.68 118.14 3kiy s LEU 8 Ca 0.27 -0.22 -0.21 0.00 0.01 0.00 0.00 54.13 53.98 3kiy s LEU 8 Cb -0.15 -1.75 0.00 0.00 0.01 0.00 0.00 46.19 44.30 3kiy s LEU 8 CO 0.11 0.27 0.66 -0.70 1.01 0.00 0.00 176.35 177.70 3kiy s GLU 9 N -1.45 3.69 -0.07 1.70 2.56 0.30 -2.22 118.70 123.21 3kiy s GLU 9 Ca 0.17 0.10 -0.30 0.00 0.00 0.00 0.00 54.97 54.94 3kiy s GLU 9 Cb -0.11 -3.81 -0.02 0.00 2.00 0.00 0.00 34.13 32.19 3kiy s GLU 9 CO 0.07 -0.75 1.02 0.54 -0.56 0.00 0.00 175.26 175.58 3kiy s VAL 10 N 2.77 4.73 -0.70 3.70 0.11 -1.20 -0.95 120.40 128.86 3kiy s VAL 10 Ca 0.26 1.99 0.01 0.00 -2.93 0.00 0.00 61.98 61.30 3kiy s VAL 10 Cb -0.14 -4.28 0.37 0.00 -1.53 0.00 0.00 36.38 30.80 3kiy s VAL 10 CO 0.15 0.05 1.66 0.00 -3.33 0.00 0.00 175.10 173.63 3kiy n ALA 11 N 4.71 5.93 -3.26 1.54 0.00 -0.19 -4.89 120.51 124.36 3kiy n ALA 11 Ca 0.08 -4.23 -0.09 0.00 0.00 0.00 0.00 53.44 49.20 3kiy n ALA 11 Cb 0.49 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 3kiy n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kiy s ASP 12 N -2.04 -0.07 -0.03 0.00 3.84 -1.26 -1.42 116.67 115.69 3kiy s ASP 12 Ca 0.50 -0.92 0.08 0.00 -0.00 0.00 0.00 52.55 52.20 3kiy s ASP 12 Cb 0.41 0.61 0.26 0.00 -1.38 0.00 0.00 42.92 42.83 3kiy s ASP 12 CO -0.32 -1.18 1.13 -0.46 -0.00 0.00 0.00 175.17 174.34 3kiy n ASN 13 N -0.46 1.86 0.05 2.11 0.23 -1.25 -4.30 115.26 113.50 3kiy n ASN 13 Ca -0.02 -2.10 0.02 0.00 -0.53 0.00 0.00 54.58 51.95 3kiy n ASN 13 Cb 0.61 -0.30 0.10 0.00 -2.08 0.00 0.00 39.78 38.12 3kiy n ASN 13 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3kiy n THR 14 N 0.29 0.97 -0.46 5.53 -2.24 -1.26 -4.68 114.28 112.43 3kiy n THR 14 Ca 0.10 0.57 0.00 0.00 -2.27 0.00 0.00 64.05 62.45 3kiy n THR 14 Cb 0.34 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 3kiy n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kiy n GLY 15 N -1.28 0.73 3.62 3.38 0.00 -1.26 -2.46 105.19 107.92 3kiy n GLY 15 Ca -0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3kiy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy s ALA 16 N -2.00 3.19 -0.23 4.61 0.00 -1.26 -2.30 121.76 123.77 3kiy s ALA 16 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3kiy s ALA 16 Cb 0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 23.12 21.43 3kiy s ALA 16 CO 0.00 0.45 -0.05 0.54 0.00 0.00 0.00 175.76 176.70 3kiy n ARG 17 N 2.66 0.63 -3.85 0.00 5.12 0.07 -4.68 116.66 116.62 3kiy n ARG 17 Ca -0.18 0.31 -0.12 0.00 -1.93 0.00 0.00 57.85 55.93 3kiy n ARG 17 Cb 0.53 -1.60 -0.11 0.00 -1.16 0.00 0.00 32.46 30.12 3kiy n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kiy s LYS 18 N -2.49 0.35 0.07 5.56 1.02 -0.37 -3.23 119.74 120.65 3kiy s LYS 18 Ca -0.32 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.59 3kiy s LYS 18 Cb 0.10 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 3kiy s LYS 18 CO 0.60 -0.07 -0.09 0.96 -0.92 0.00 0.00 175.35 175.82 3kiy s ILE 19 N -0.70 0.78 -0.07 2.17 -4.36 -0.94 -1.40 121.20 116.68 3kiy s ILE 19 Ca -0.08 -1.39 0.02 0.00 -0.26 0.00 0.00 60.65 58.94 3kiy s ILE 19 Cb -0.05 -1.05 -0.03 0.00 1.25 0.00 0.00 42.46 42.59 3kiy s ILE 19 CO 0.01 -0.47 -0.11 -0.32 0.24 0.00 0.00 174.94 174.29 3kiy s MET 20 N -2.25 2.69 0.03 0.37 -2.45 0.03 0.52 119.30 118.24 3kiy s MET 20 Ca -0.01 -0.64 -0.30 0.00 -1.25 0.00 0.00 55.69 53.48 3kiy s MET 20 Cb -0.06 -2.49 -0.06 0.00 1.25 0.00 0.00 34.83 33.48 3kiy s MET 20 CO -0.00 0.60 1.31 0.00 1.05 0.00 0.00 175.02 177.98 3kiy n ILE 22 N 4.33 1.44 -3.62 0.00 2.08 0.09 -0.57 119.36 123.12 3kiy n ILE 22 Ca 0.11 -0.79 -0.10 0.00 0.56 0.00 0.00 62.75 62.54 3kiy n ILE 22 Cb 0.44 -0.75 -0.07 0.00 -0.75 0.00 0.00 39.64 38.52 3kiy n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3kiy s ARG 23 N -2.51 0.53 -0.10 0.38 3.52 -1.10 -4.80 118.95 114.87 3kiy s ARG 23 Ca -0.15 0.50 -0.17 0.00 -0.13 0.00 0.00 55.73 55.78 3kiy s ARG 23 Cb 0.07 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 3kiy s ARG 23 CO 0.78 -0.09 0.46 0.54 -0.81 0.00 0.00 175.30 176.18 3kiy s VAL 24 N -0.08 5.16 -0.25 7.11 0.11 -1.26 -0.55 120.40 130.65 3kiy s VAL 24 Ca 0.02 0.92 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 3kiy s VAL 24 Cb -0.04 -3.79 0.22 0.00 -1.53 0.00 0.00 36.38 31.24 3kiy s VAL 24 CO -0.04 0.37 1.79 0.18 -3.33 0.00 0.00 175.10 174.06 3kiy n LEU 25 N 3.39 5.70 0.00 2.54 4.77 -0.50 -4.77 117.00 128.13 3kiy n LEU 25 Ca -0.08 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 52.99 3kiy n LEU 25 Cb 0.52 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3kiy n LEU 25 CO 0.42 1.03 0.00 0.29 -1.33 0.00 0.00 177.39 177.80 3kiy n LYS 26 N 0.24 2.98 0.00 3.23 5.02 -1.26 -4.87 118.16 123.50 3kiy n LYS 26 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 3kiy n LYS 26 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 3kiy n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kiy n GLY 27 N 5.00 -0.34 1.68 0.72 0.00 -1.26 -4.74 105.19 106.26 3kiy n GLY 27 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.99 3kiy n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kiy n SER 28 N 0.00 5.16 0.00 1.61 3.41 -1.26 -4.45 113.62 118.08 3kiy n SER 28 Ca 0.00 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 3kiy n SER 28 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 3kiy n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kiy n ASN 29 N 0.80 0.00 -4.72 4.04 0.23 -1.26 -5.12 115.26 109.23 3kiy n ASN 29 Ca 0.26 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.89 3kiy n ASN 29 Cb 1.03 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.71 3kiy n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kiy n ALA 30 N 0.00 2.25 -0.03 -2.53 0.00 -1.26 -4.89 120.51 114.05 3kiy n ALA 30 Ca 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 3kiy n ALA 30 Cb 0.00 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.92 3kiy n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kiy h LYS 31 N 5.33 0.36 -4.86 0.00 1.57 -1.97 -3.46 116.57 113.53 3kiy h LYS 31 Ca -0.45 -0.29 -0.41 0.00 -1.87 0.00 0.00 60.65 57.62 3kiy h LYS 31 Cb 1.23 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.46 3kiy h LYS 31 CO 0.84 0.94 -0.55 0.71 -0.57 0.00 0.00 179.45 180.81 3kiy s TYR 32 N -3.62 1.59 -0.02 -1.35 1.51 -1.26 -4.76 117.35 109.44 3kiy s TYR 32 Ca -0.14 -1.41 0.01 0.00 -1.01 0.00 0.00 57.07 54.52 3kiy s TYR 32 Cb 0.04 -0.82 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 3kiy s TYR 32 CO 0.78 -0.58 -0.03 0.00 -1.11 0.00 0.00 175.55 174.61 3kiy s ALA 33 N -3.62 0.42 0.02 3.71 0.00 0.29 -4.92 121.76 117.66 3kiy s ALA 33 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.29 3kiy s ALA 33 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3kiy s ALA 33 CO 0.18 0.01 0.01 -2.37 0.00 0.00 0.00 175.76 173.59 3kiy n THR 34 N 3.62 0.00 -1.59 0.00 5.66 -1.26 -0.49 114.28 120.23 3kiy n THR 34 Ca -0.21 -0.11 -0.51 0.00 -3.05 0.00 0.00 64.05 60.18 3kiy n THR 34 Cb 0.54 -0.16 -0.05 0.00 -1.55 0.00 0.00 70.33 69.10 3kiy n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3kiy n VAL 35 N -0.24 0.29 -0.57 1.08 0.31 -1.26 -1.36 118.33 116.57 3kiy n VAL 35 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3kiy n VAL 35 Cb 0.03 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3kiy n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kiy n GLY 36 N 2.37 0.78 3.88 2.92 0.00 0.04 -4.86 105.19 110.34 3kiy n GLY 36 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3kiy n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kiy s ASP 37 N -2.94 6.54 0.10 1.61 1.01 -0.46 -4.84 116.67 117.68 3kiy s ASP 37 Ca 0.00 0.64 -0.06 0.00 0.71 0.00 0.00 52.55 53.84 3kiy s ASP 37 Cb 0.00 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.76 3kiy s ASP 37 CO 0.00 0.14 0.35 -0.69 0.21 0.00 0.00 175.17 175.18 3kiy s VAL 38 N -1.49 5.19 0.10 -1.27 1.01 -1.26 -1.37 120.40 121.31 3kiy s VAL 38 Ca 0.35 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.33 3kiy s VAL 38 Cb -0.13 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3kiy s VAL 38 CO 0.21 0.16 0.31 0.27 0.00 0.00 0.00 175.10 176.05 3kiy s ILE 39 N -1.52 0.10 0.18 2.22 -4.36 0.36 -1.40 121.20 116.78 3kiy s ILE 39 Ca 0.36 -0.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.92 3kiy s ILE 39 Cb -0.13 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 3kiy s ILE 39 CO 0.22 -0.45 0.37 -0.69 0.24 0.00 0.00 174.94 174.62 3kiy s VAL 40 N -3.68 5.21 -0.07 8.37 1.01 0.29 -1.00 120.40 130.53 3kiy s VAL 40 Ca 0.03 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3kiy s VAL 40 Cb 0.03 -3.70 0.11 0.00 0.00 0.00 0.00 36.38 32.81 3kiy s VAL 40 CO -0.11 -0.10 0.90 0.00 0.00 0.00 0.00 175.10 175.79 3kiy s ALA 41 N -1.79 -1.86 0.07 5.51 0.00 0.65 -0.73 121.76 123.60 3kiy s ALA 41 Ca 0.39 1.29 -0.04 0.00 0.00 0.00 0.00 51.96 53.60 3kiy s ALA 41 Cb -0.11 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3kiy s ALA 41 CO 0.28 -0.49 0.28 0.45 0.00 0.00 0.00 175.76 176.28 3kiy s SER 42 N -1.73 6.44 -0.37 0.00 0.15 0.02 0.42 113.70 118.63 3kiy s SER 42 Ca -0.00 0.46 -0.23 0.00 0.70 0.00 0.00 55.95 56.88 3kiy s SER 42 Cb -0.01 -2.04 0.01 0.00 -1.71 0.00 0.00 66.02 62.27 3kiy s SER 42 CO -0.02 0.16 0.80 -0.69 1.20 0.00 0.00 173.24 174.69 3kiy s VAL 43 N -1.48 4.71 -0.06 4.45 1.01 -0.94 -0.79 120.40 127.30 3kiy s VAL 43 Ca 0.34 0.91 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 3kiy s VAL 43 Cb -0.13 -4.23 -0.30 0.00 0.00 0.00 0.00 36.38 31.73 3kiy s VAL 43 CO 0.23 -0.45 0.63 0.11 0.00 0.00 0.00 175.10 175.62 3kiy h LYS 44 N 8.48 0.37 -3.12 2.72 1.79 -1.57 -0.99 116.57 124.26 3kiy h LYS 44 Ca -0.24 -0.63 -0.17 0.00 -2.18 0.00 0.00 60.65 57.42 3kiy h LYS 44 Cb 1.09 0.24 -0.27 0.00 -1.58 0.00 0.00 32.23 31.71 3kiy h LYS 44 CO 0.92 1.30 -0.45 -1.83 -1.08 0.00 0.00 179.45 178.31 3kiy s GLU 45 N -2.58 0.26 0.15 3.15 -1.05 -0.97 -4.84 118.70 112.83 3kiy s GLU 45 Ca -0.17 0.38 -0.01 0.00 -0.15 0.00 0.00 54.97 55.02 3kiy s GLU 45 Cb 0.06 0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 3kiy s GLU 45 CO 0.84 -0.06 0.08 0.00 0.95 0.00 0.00 175.26 177.07 3kiy s ALA 46 N 0.40 0.96 0.25 -0.84 0.00 -1.26 -0.75 121.76 120.52 3kiy s ALA 46 Ca -0.02 -1.54 -0.12 0.00 0.00 0.00 0.00 51.96 50.27 3kiy s ALA 46 Cb -0.04 1.05 -0.08 0.00 0.00 0.00 0.00 23.12 24.05 3kiy s ALA 46 CO -0.02 -0.53 0.62 -1.50 0.00 0.00 0.00 175.76 174.33 3kiy s ILE 47 N -4.09 4.83 0.00 0.00 2.07 -0.97 -4.84 121.20 118.20 3kiy s ILE 47 Ca 0.29 0.70 0.00 0.00 -1.41 0.00 0.00 60.65 60.23 3kiy s ILE 47 Cb 0.07 -3.64 0.00 0.00 0.13 0.00 0.00 42.46 39.03 3kiy s ILE 47 CO 0.05 -0.07 0.00 -2.65 -1.91 0.00 0.00 174.94 170.37 3kiy n PRO 48 N -0.09 0.00 -1.99 3.50 -0.02 -1.26 -4.52 135.00 130.63 3kiy n PRO 48 Ca 0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.12 3kiy n PRO 48 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.03 3kiy n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kiy s ARG 49 N 0.00 3.25 0.00 -0.52 1.81 -1.26 -4.97 118.95 117.27 3kiy s ARG 49 Ca 0.00 1.98 0.00 0.00 -1.72 0.00 0.00 55.73 55.99 3kiy s ARG 49 Cb 0.00 -2.19 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3kiy s ARG 49 CO 0.00 -1.02 0.00 0.41 -0.68 0.00 0.00 175.30 174.01 3kiy n GLY 50 N 0.59 2.57 0.21 -3.53 0.00 -1.26 -4.93 105.19 98.84 3kiy n GLY 50 Ca 0.11 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 3kiy n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kiy h ALA 51 N 0.00 0.61 -2.67 4.61 0.00 -1.88 -3.43 119.26 116.51 3kiy h ALA 51 Ca 0.00 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.23 3kiy h ALA 51 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3kiy h ALA 51 CO 0.00 0.11 -0.26 0.08 0.00 0.00 0.00 179.25 179.18 3kiy s VAL 52 N -5.94 5.13 0.20 0.00 1.01 -1.03 -5.09 120.40 114.67 3kiy s VAL 52 Ca -0.13 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3kiy s VAL 52 Cb 0.12 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3kiy s VAL 52 CO 0.75 0.44 -0.16 -0.54 0.00 0.00 0.00 175.10 175.59 3kiy s LYS 53 N -1.48 1.34 0.33 2.72 -0.14 -1.26 -4.70 119.74 116.54 3kiy s LYS 53 Ca 0.27 -1.56 -0.29 0.00 -1.36 0.00 0.00 55.97 53.03 3kiy s LYS 53 Cb -0.15 -1.20 -0.12 0.00 -1.68 0.00 0.00 37.83 34.68 3kiy s LYS 53 CO 0.15 0.21 1.35 0.39 -0.76 0.00 0.00 175.35 176.69 3kiy n GLU 54 N -0.26 2.22 0.00 1.68 1.02 -1.26 -2.16 120.64 121.88 3kiy n GLU 54 Ca -0.09 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 3kiy n GLU 54 Cb 0.60 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 3kiy n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kiy n GLY 55 N 1.02 2.64 3.72 0.62 0.00 -0.37 -4.95 105.19 107.86 3kiy n GLY 55 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3kiy n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kiy s ASP 56 N -1.59 6.88 -0.09 1.61 -0.00 -0.92 -4.67 116.67 117.89 3kiy s ASP 56 Ca 0.00 2.30 -0.27 0.00 -0.00 0.00 0.00 52.55 54.58 3kiy s ASP 56 Cb 0.00 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.31 3kiy s ASP 56 CO 0.00 -0.59 0.89 -0.69 -0.00 0.00 0.00 175.17 174.78 3kiy s VAL 57 N 0.82 4.89 0.27 -1.27 1.01 -1.26 -2.22 120.40 122.63 3kiy s VAL 57 Ca 0.62 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.42 3kiy s VAL 57 Cb -0.36 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 3kiy s VAL 57 CO 0.32 0.10 0.13 0.68 0.00 0.00 0.00 175.10 176.34 3kiy s VAL 58 N 1.54 0.32 -0.04 2.92 -7.23 0.17 -4.94 120.40 113.14 3kiy s VAL 58 Ca 0.44 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 3kiy s VAL 58 Cb -0.18 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3kiy s VAL 58 CO 0.19 0.00 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.30 3kiy s LYS 59 N -3.96 2.46 0.07 4.82 1.02 -1.26 -0.26 119.74 122.63 3kiy s LYS 59 Ca 0.37 -0.73 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 3kiy s LYS 59 Cb 0.06 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3kiy s LYS 59 CO 0.15 0.61 0.37 0.00 -0.92 0.00 0.00 175.35 175.57 3kiy s ALA 60 N -0.77 -0.86 -0.05 5.17 0.00 -0.17 -0.37 121.76 124.71 3kiy s ALA 60 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 3kiy s ALA 60 Cb -0.11 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3kiy s ALA 60 CO 0.01 -0.49 -0.01 0.54 0.00 0.00 0.00 175.76 175.81 3kiy s VAL 61 N -2.89 4.13 0.30 0.00 0.11 -0.07 -0.48 120.40 121.51 3kiy s VAL 61 Ca -0.03 -0.42 -0.28 0.00 -2.93 0.00 0.00 61.98 58.33 3kiy s VAL 61 Cb 0.00 -2.76 -0.09 0.00 -1.53 0.00 0.00 36.38 31.99 3kiy s VAL 61 CO -0.05 0.52 1.02 -0.69 -3.33 0.00 0.00 175.10 172.57 3kiy s VAL 62 N -0.94 3.81 -0.00 2.04 1.01 -0.47 -0.68 120.40 125.17 3kiy s VAL 62 Ca 0.15 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3kiy s VAL 62 Cb -0.11 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3kiy s VAL 62 CO 0.05 0.27 0.81 1.33 0.00 0.00 0.00 175.10 177.56 3kiy n VAL 63 N 0.86 0.03 0.00 2.92 0.24 -0.53 -0.78 118.33 121.08 3kiy n VAL 63 Ca 0.01 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 3kiy n VAL 63 Cb 0.47 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 3kiy n VAL 63 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kiy n ARG 64 N -0.02 0.00 -3.61 7.34 1.74 -1.17 -3.91 116.66 117.02 3kiy n ARG 64 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 3kiy n ARG 64 Cb 0.62 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.03 3kiy n ARG 64 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kiy s THR 65 N 0.00 3.03 -0.34 0.55 -4.23 -1.25 0.96 115.64 114.36 3kiy s THR 65 Ca 0.00 -1.32 0.22 0.00 -1.18 0.00 0.00 61.69 59.41 3kiy s THR 65 Cb 0.00 -3.08 -0.28 0.00 1.34 0.00 0.00 72.50 70.49 3kiy s THR 65 CO 0.00 -0.07 0.66 1.17 -0.54 0.00 0.00 174.62 175.84 3kiy n LYS 66 N -1.51 0.45 -3.10 3.99 4.81 -1.20 -3.23 118.16 118.37 3kiy n LYS 66 Ca 0.02 -0.12 -0.41 0.00 -0.87 0.00 0.00 58.31 56.93 3kiy n LYS 66 Cb 0.61 -1.53 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 3kiy n LYS 66 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kiy s LYS 67 N -3.35 4.04 0.28 1.64 2.47 -1.26 -4.60 119.74 118.96 3kiy s LYS 67 Ca -0.03 0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 54.61 3kiy s LYS 67 Cb 0.14 -3.68 -0.16 0.00 -1.46 0.00 0.00 37.83 32.68 3kiy s LYS 67 CO 0.89 -0.47 0.51 -0.85 0.16 0.00 0.00 175.35 175.58 3kiy n GLU 68 N 5.79 0.26 -3.98 4.03 0.00 -1.26 -4.70 120.64 120.78 3kiy n GLU 68 Ca -0.00 0.09 -0.35 0.00 0.00 0.00 0.00 57.16 56.90 3kiy n GLU 68 Cb 0.49 -1.18 -0.06 0.00 0.00 0.00 0.00 31.44 30.68 3kiy n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kiy s ILE 69 N -1.19 5.23 -0.11 3.84 1.09 0.44 -4.92 121.20 125.58 3kiy s ILE 69 Ca 0.62 -0.01 -0.08 0.00 -1.10 0.00 0.00 60.65 60.08 3kiy s ILE 69 Cb -0.80 -3.32 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 3kiy s ILE 69 CO 0.58 0.52 0.18 -0.54 -0.10 0.00 0.00 174.94 175.58 3kiy s LYS 70 N -1.30 3.57 -0.08 2.79 1.02 -1.26 -1.90 119.74 122.59 3kiy s LYS 70 Ca 0.18 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.15 3kiy s LYS 70 Cb -0.12 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.95 3kiy s LYS 70 CO 0.08 0.73 -0.14 1.03 -0.92 0.00 0.00 175.35 176.12 3kiy s ARG 71 N -0.92 2.80 0.45 1.68 1.81 -0.67 -5.01 118.95 119.10 3kiy s ARG 71 Ca 0.16 -0.70 0.23 0.00 -1.72 0.00 0.00 55.73 53.70 3kiy s ARG 71 Cb -0.13 -2.45 1.23 0.00 -0.45 0.00 0.00 34.95 33.15 3kiy s ARG 71 CO 0.05 0.47 1.84 -1.00 -0.68 0.00 0.00 175.30 175.98 3kiy h PRO 72 N 5.84 0.26 0.00 3.54 0.13 -1.99 0.48 132.00 140.26 3kiy h PRO 72 Ca -0.39 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kiy h PRO 72 Cb 1.17 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3kiy h PRO 72 CO 0.52 0.17 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 3kiy n ASP 73 N -4.45 0.00 0.00 1.44 5.68 -1.26 -4.76 116.55 113.20 3kiy n ASP 73 Ca 0.21 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 3kiy n ASP 73 Cb 0.86 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3kiy n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kiy n GLY 74 N -1.11 0.71 3.98 6.12 0.00 0.17 -5.07 105.19 109.99 3kiy n GLY 74 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3kiy n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kiy s SER 75 N -2.94 4.56 -0.06 1.61 1.04 -1.22 -4.88 113.70 111.82 3kiy s SER 75 Ca 0.00 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 3kiy s SER 75 Cb 0.00 -0.26 0.01 0.00 0.10 0.00 0.00 66.02 65.88 3kiy s SER 75 CO 0.00 -1.70 0.16 0.00 0.98 0.00 0.00 173.24 172.68 3kiy s ALA 76 N -3.07 -0.40 -0.10 5.32 0.00 -1.26 -1.67 121.76 120.57 3kiy s ALA 76 Ca 0.64 0.40 0.04 0.00 0.00 0.00 0.00 51.96 53.04 3kiy s ALA 76 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3kiy s ALA 76 CO 0.43 -0.09 -0.22 -1.50 0.00 0.00 0.00 175.76 174.37 3kiy s ILE 77 N -0.08 1.96 -0.02 0.00 1.10 -0.80 -4.92 121.20 118.44 3kiy s ILE 77 Ca -0.02 -0.96 0.02 0.00 -0.51 0.00 0.00 60.65 59.19 3kiy s ILE 77 Cb -0.02 -1.71 0.00 0.00 0.15 0.00 0.00 42.46 40.88 3kiy s ILE 77 CO 0.00 0.54 -0.08 -0.60 -2.11 0.00 0.00 174.94 172.69 3kiy s ARG 78 N 0.45 0.82 0.39 3.50 3.52 -1.26 -0.42 118.95 125.95 3kiy s ARG 78 Ca -0.17 -0.27 0.08 0.00 -0.13 0.00 0.00 55.73 55.24 3kiy s ARG 78 Cb -0.17 -0.78 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 3kiy s ARG 78 CO 0.07 0.11 0.14 -0.06 -0.81 0.00 0.00 175.30 174.74 3kiy s PHE 79 N 0.15 2.61 -1.59 5.12 0.40 -1.20 -5.04 117.98 118.43 3kiy s PHE 79 Ca -0.02 -0.53 0.31 0.00 -0.60 0.00 0.00 56.93 56.08 3kiy s PHE 79 Cb -0.07 -1.82 1.63 0.00 0.51 0.00 0.00 43.02 43.27 3kiy s PHE 79 CO 0.00 0.27 2.10 -0.25 0.70 0.00 0.00 175.22 178.05 3kiy n ASP 80 N -1.16 0.01 -2.21 1.36 9.92 -1.26 -4.45 116.55 118.76 3kiy n ASP 80 Ca -0.02 -0.39 -0.06 0.00 -0.53 0.00 0.00 54.79 53.79 3kiy n ASP 80 Cb 0.64 -0.20 0.02 0.00 -0.64 0.00 0.00 41.12 40.93 3kiy n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3kiy n ASP 81 N -1.20 -1.50 -4.27 -2.24 5.68 -1.26 -5.01 116.55 106.75 3kiy n ASP 81 Ca 0.17 -2.09 -0.35 0.00 -0.50 0.00 0.00 54.79 52.02 3kiy n ASP 81 Cb 0.21 2.52 -0.14 0.00 -1.14 0.00 0.00 41.12 42.57 3kiy n ASP 81 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3kiy s ASN 82 N -2.40 4.55 0.26 -1.12 -0.87 -1.25 -3.27 114.94 110.85 3kiy s ASN 82 Ca 0.11 -0.72 0.11 0.00 -1.57 0.00 0.00 52.86 50.79 3kiy s ASN 82 Cb -0.03 -1.74 -0.05 0.00 -0.02 0.00 0.00 41.25 39.41 3kiy s ASN 82 CO 0.08 -0.12 -0.12 0.00 -2.57 0.00 0.00 177.10 174.37 3kiy s ALA 83 N 1.41 2.91 0.31 0.60 0.00 0.27 0.11 121.76 127.37 3kiy s ALA 83 Ca 0.02 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.24 3kiy s ALA 83 Cb -0.16 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3kiy s ALA 83 CO -0.02 0.30 0.39 0.00 0.00 0.00 0.00 175.76 176.43 3kiy s ALA 84 N -2.30 0.98 -0.03 0.00 0.00 -0.13 -1.45 121.76 118.84 3kiy s ALA 84 Ca 0.29 -1.61 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 3kiy s ALA 84 Cb -0.06 1.25 0.03 0.00 0.00 0.00 0.00 23.12 24.34 3kiy s ALA 84 CO 0.16 -0.74 0.04 0.54 0.00 0.00 0.00 175.76 175.76 3kiy s VAL 85 N -3.38 -0.07 0.25 0.00 0.11 0.15 -1.02 120.40 116.44 3kiy s VAL 85 Ca 0.33 0.25 -0.30 0.00 -2.93 0.00 0.00 61.98 59.33 3kiy s VAL 85 Cb 0.01 -0.10 -0.09 0.00 -1.53 0.00 0.00 36.38 34.67 3kiy s VAL 85 CO 0.20 0.10 1.00 -0.63 -3.33 0.00 0.00 175.10 172.44 3kiy s ILE 86 N 1.25 3.87 0.33 7.04 1.01 -1.26 -0.89 121.20 132.56 3kiy s ILE 86 Ca -0.07 1.87 0.03 0.00 0.00 0.00 0.00 60.65 62.49 3kiy s ILE 86 Cb -0.13 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3kiy s ILE 86 CO -0.03 0.44 0.13 0.27 0.00 0.00 0.00 174.94 175.75 3kiy s ILE 87 N -1.12 0.55 0.47 2.92 -4.36 0.50 -1.95 121.20 118.21 3kiy s ILE 87 Ca 0.43 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.89 3kiy s ILE 87 Cb -0.28 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 40.93 3kiy s ILE 87 CO 0.35 0.00 0.49 0.54 0.24 0.00 0.00 174.94 176.56 3kiy s ASN 88 N -3.45 5.09 0.65 4.36 4.22 -0.56 -4.21 114.94 121.04 3kiy s ASN 88 Ca 0.33 -0.80 0.28 0.00 -2.14 0.00 0.00 52.86 50.53 3kiy s ASN 88 Cb 0.05 -0.24 1.53 0.00 1.28 0.00 0.00 41.25 43.86 3kiy s ASN 88 CO 0.16 -0.88 1.87 0.78 -2.04 0.00 0.00 177.10 176.99 3kiy h ASN 89 N 0.75 0.00 1.11 3.54 4.21 -1.96 1.90 115.58 125.13 3kiy h ASN 89 Ca -0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.13 3kiy h ASN 89 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 3kiy h ASN 89 CO 0.52 0.00 -0.29 0.00 -1.29 0.00 0.00 177.43 176.38 3kiy n GLN 90 N -3.04 0.23 -0.57 0.81 3.00 -1.26 -4.92 117.38 111.63 3kiy n GLN 90 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3kiy n GLN 90 Cb 0.47 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 29.01 3kiy n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kiy n LEU 91 N -2.06 0.00 -4.76 1.08 7.99 0.65 -5.06 117.00 114.84 3kiy n LEU 91 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 56.01 55.66 3kiy n LEU 91 Cb 0.42 -0.28 -0.06 0.00 -0.11 0.00 0.00 43.42 43.39 3kiy n LEU 91 CO 0.33 0.00 0.25 -1.61 -1.51 0.00 0.00 177.39 174.84 3kiy s GLU 92 N -0.51 4.28 0.06 3.23 2.02 -1.25 -4.68 118.70 121.84 3kiy s GLU 92 Ca 0.00 0.63 -0.34 0.00 0.02 0.00 0.00 54.97 55.28 3kiy s GLU 92 Cb 0.00 -3.36 -0.13 0.00 0.10 0.00 0.00 34.13 30.74 3kiy s GLU 92 CO 0.00 0.34 1.69 -0.35 0.02 0.00 0.00 175.26 176.96 3kiy n PRO 93 N 2.90 2.13 0.21 0.39 -0.04 -1.26 -1.50 135.00 137.83 3kiy n PRO 93 Ca -0.07 0.77 0.07 0.00 -0.04 0.00 0.00 63.50 64.23 3kiy n PRO 93 Cb 0.51 -2.57 0.45 0.00 -0.04 0.00 0.00 33.50 31.85 3kiy n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kiy h ARG 94 N 7.20 0.00 0.00 0.54 2.47 -1.69 -3.45 114.38 119.46 3kiy h ARG 94 Ca -0.46 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 57.93 3kiy h ARG 94 Cb 1.26 0.00 0.17 0.00 -1.65 0.00 0.00 29.97 29.76 3kiy h ARG 94 CO 0.91 0.30 -0.01 0.41 0.56 0.00 0.00 179.97 182.14 3kiy n GLY 95 N -0.16 -3.24 0.00 0.04 0.00 -1.26 -4.86 105.19 95.71 3kiy n GLY 95 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3kiy n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kiy n THR 96 N -4.89 0.00 -3.95 2.61 -2.24 -1.26 -4.99 114.28 99.56 3kiy n THR 96 Ca 0.12 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 3kiy n THR 96 Cb 0.50 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 3kiy n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kiy s ARG 97 N -0.37 1.73 -0.01 -0.78 1.81 -1.26 -5.06 118.95 115.00 3kiy s ARG 97 Ca 0.00 -1.25 -0.02 0.00 -1.72 0.00 0.00 55.73 52.74 3kiy s ARG 97 Cb 0.00 0.52 0.00 0.00 -0.45 0.00 0.00 34.95 35.03 3kiy s ARG 97 CO 0.00 -0.75 0.05 0.14 -0.68 0.00 0.00 175.30 174.05 3kiy s VAL 98 N -3.70 0.02 0.12 3.52 -7.23 -1.26 -3.87 120.40 107.99 3kiy s VAL 98 Ca 0.19 -0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.29 3kiy s VAL 98 Cb -0.03 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.76 3kiy s VAL 98 CO 0.10 -0.07 0.02 -0.36 -0.31 0.00 0.00 175.10 174.48 3kiy s PHE 99 N -0.20 2.98 0.26 2.82 0.08 -0.51 -4.48 117.98 118.94 3kiy s PHE 99 Ca -0.02 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.98 3kiy s PHE 99 Cb -0.02 -1.50 0.00 0.00 -0.57 0.00 0.00 43.02 40.93 3kiy s PHE 99 CO 0.00 0.49 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 3kiy n GLY 100 N 0.28 -2.47 3.74 4.36 0.00 -1.26 -4.82 105.19 105.02 3kiy n GLY 100 Ca -0.10 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 3kiy n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kiy s PRO 101 N -2.88 0.92 0.30 1.61 0.04 -1.26 -4.36 135.00 129.37 3kiy s PRO 101 Ca 0.00 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.53 3kiy s PRO 101 Cb 0.00 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 3kiy s PRO 101 CO 0.00 -2.38 0.18 0.14 0.04 0.00 0.00 177.00 174.98 3kiy s VAL 102 N -3.11 0.22 -0.17 -0.36 -7.23 -0.78 -4.88 120.40 104.09 3kiy s VAL 102 Ca 0.64 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 3kiy s VAL 102 Cb -0.17 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 3kiy s VAL 102 CO 0.55 0.00 0.02 0.00 -0.31 0.00 0.00 175.10 175.36 3kiy s ALA 103 N -3.65 3.19 -0.24 1.32 0.00 -1.25 -0.35 121.76 120.78 3kiy s ALA 103 Ca 0.37 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.57 3kiy s ALA 103 Cb 0.05 -1.76 0.30 0.00 0.00 0.00 0.00 23.12 21.71 3kiy s ALA 103 CO 0.19 0.14 0.99 2.89 0.00 0.00 0.00 175.76 179.96 3kiy n ARG 104 N 3.65 0.04 -0.06 0.00 1.85 0.11 0.39 116.66 122.64 3kiy n ARG 104 Ca -0.17 0.40 0.24 0.00 -1.00 0.00 0.00 57.85 57.32 3kiy n ARG 104 Cb 0.52 -1.92 0.72 0.00 -1.05 0.00 0.00 32.46 30.73 3kiy n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3kiy h GLU 105 N 0.00 0.00 0.00 2.89 3.07 -1.92 0.40 114.58 119.02 3kiy h GLU 105 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3kiy h GLU 105 Cb 0.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3kiy h GLU 105 CO 0.00 0.00 -0.17 -0.07 -1.40 0.00 0.00 179.01 177.37 3kiy h LEU 106 N 0.00 0.00 0.27 1.33 3.38 -0.39 -2.89 115.31 117.01 3kiy h LEU 106 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3kiy h LEU 106 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3kiy h LEU 106 CO -0.00 0.17 -0.13 -0.09 0.09 0.00 0.00 178.44 178.47 3kiy h ARG 107 N 0.00 -0.35 -0.02 1.13 2.43 -0.40 -0.30 114.38 116.87 3kiy h ARG 107 Ca -0.00 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3kiy h ARG 107 Cb 0.32 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3kiy h ARG 107 CO 0.02 -0.01 0.14 1.05 -1.51 0.00 0.00 179.97 179.66 3kiy h GLU 108 N -0.94 0.00 0.00 0.20 9.09 -1.60 1.12 114.58 122.46 3kiy h GLU 108 Ca -0.04 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.27 3kiy h GLU 108 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3kiy h GLU 108 CO 0.06 0.00 -0.77 0.87 0.05 0.00 0.00 179.01 179.22 3kiy h LYS 109 N 0.00 0.00 -0.18 1.06 1.79 -1.40 -3.49 116.57 114.36 3kiy h LYS 109 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3kiy h LYS 109 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3kiy h LYS 109 CO -0.00 0.32 0.00 0.41 -1.08 0.00 0.00 179.45 179.10 3kiy n GLY 110 N 1.25 1.16 2.75 3.86 0.00 0.39 -5.02 105.19 109.58 3kiy n GLY 110 Ca -0.01 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 3kiy n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kiy n PHE 111 N -0.90 3.17 -0.30 1.61 3.72 -0.28 -4.89 117.46 119.59 3kiy n PHE 111 Ca 0.00 -2.73 -0.09 0.00 -0.05 0.00 0.00 57.45 54.58 3kiy n PHE 111 Cb 0.12 -0.81 -0.06 0.00 -0.94 0.00 0.00 39.48 37.79 3kiy n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3kiy h MET 112 N 3.03 -0.13 -0.82 -1.08 2.86 -1.88 0.41 114.93 117.32 3kiy h MET 112 Ca 0.45 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 58.28 3kiy h MET 112 Cb 0.37 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.95 3kiy h MET 112 CO 1.18 -0.09 0.32 -0.22 1.06 0.00 0.00 176.91 179.16 3kiy h LYS 113 N -0.14 0.39 -0.16 1.72 1.63 -1.99 0.27 116.57 118.28 3kiy h LYS 113 Ca 0.18 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.92 3kiy h LYS 113 Cb 0.52 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3kiy h LYS 113 CO -0.81 0.26 -0.02 0.82 -3.45 0.00 0.00 179.45 176.25 3kiy h ILE 114 N 0.40 1.27 0.39 2.00 5.03 -1.61 -1.15 117.51 123.84 3kiy h ILE 114 Ca 0.48 -0.91 -0.01 0.00 -0.12 0.00 0.00 64.86 64.30 3kiy h ILE 114 Cb 0.81 1.55 -0.03 0.00 -3.03 0.00 0.00 36.82 36.12 3kiy h ILE 114 CO -0.48 0.27 -0.51 0.58 -0.68 0.00 0.00 178.15 177.33 3kiy h VAL 115 N 0.02 0.01 -0.59 1.67 2.07 0.13 -1.93 116.25 117.63 3kiy h VAL 115 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3kiy h VAL 115 Cb 0.42 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3kiy h VAL 115 CO 0.01 0.00 0.34 0.77 0.02 0.00 0.00 177.57 178.71 3kiy h SER 116 N -0.93 0.52 -0.46 0.57 4.64 -0.67 -2.76 113.55 114.46 3kiy h SER 116 Ca -0.04 0.02 0.08 0.00 -0.47 0.00 0.00 61.79 61.37 3kiy h SER 116 Cb 0.84 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3kiy h SER 116 CO -0.13 0.35 0.31 -0.07 -0.87 0.00 0.00 176.83 176.43 3kiy h LEU 117 N 0.65 0.26 -9.98 5.97 3.38 -0.97 -3.43 115.31 111.18 3kiy h LEU 117 Ca 0.25 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.70 3kiy h LEU 117 Cb 0.10 -0.05 0.09 0.00 0.09 0.00 0.00 40.66 40.89 3kiy h LEU 117 CO -0.14 0.17 0.57 0.00 0.09 0.00 0.00 178.44 179.13 3kiy s ALA 118 N -5.29 3.09 0.25 1.53 0.00 -0.75 -4.42 121.76 116.17 3kiy s ALA 118 Ca -0.07 1.16 0.27 0.00 0.00 0.00 0.00 51.96 53.32 3kiy s ALA 118 Cb 0.19 -3.47 1.20 0.00 0.00 0.00 0.00 23.12 21.03 3kiy s ALA 118 CO 0.73 -0.88 1.95 -1.00 0.00 0.00 0.00 175.76 176.55 3kiy h PRO 119 N 2.26 0.00 -2.63 0.00 0.13 -1.78 -3.44 132.00 126.53 3kiy h PRO 119 Ca -0.50 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 3kiy h PRO 119 Cb 1.26 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.19 3kiy h PRO 119 CO 0.61 0.17 -0.11 -2.00 -0.23 0.00 0.00 178.00 176.44 3kiy s GLU 120 N -3.87 0.78 -0.18 0.86 2.12 -1.26 -5.06 118.70 112.09 3kiy s GLU 120 Ca -0.01 0.08 -0.03 0.00 0.36 0.00 0.00 54.97 55.37 3kiy s GLU 120 Cb 0.11 0.36 0.06 0.00 0.26 0.00 0.00 34.13 34.92 3kiy s GLU 120 CO 0.60 -0.21 0.03 0.08 -0.54 0.00 0.00 175.26 175.22 3kiy s VAL 121 N -1.05 0.51 -1.28 3.70 1.01 -1.26 -1.87 120.40 120.16 3kiy s VAL 121 Ca -0.11 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 61.50 3kiy s VAL 121 Cb -0.03 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.46 3kiy s VAL 121 CO 0.06 -0.15 0.82 0.18 0.00 0.00 0.00 175.10 176.01