#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl n ARG 12 N 0.00 2.23 -4.52 1.97 0.63 -1.26 -5.03 116.66 110.68 3knl n ARG 12 Ca 0.00 0.79 -0.22 0.00 -0.92 0.00 0.00 57.85 57.51 3knl n ARG 12 Cb 0.00 -2.60 -0.14 0.00 0.45 0.00 0.00 32.46 30.16 3knl n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3knl s GLN 13 N -2.41 1.07 -0.05 -0.14 -0.21 -1.26 -4.87 119.66 111.79 3knl s GLN 13 Ca 0.61 -0.66 -0.02 0.00 0.02 0.00 0.00 55.36 55.31 3knl s GLN 13 Cb -0.46 -1.07 0.04 0.00 1.00 0.00 0.00 33.01 32.52 3knl s GLN 13 CO 0.58 0.28 0.12 0.14 -2.12 0.00 0.00 175.29 174.28 3knl s VAL 14 N -0.60 -0.06 0.00 1.09 -7.23 -1.06 -4.97 120.40 107.57 3knl s VAL 14 Ca 0.04 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 3knl s VAL 14 Cb -0.07 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.67 3knl s VAL 14 CO 0.00 0.08 0.45 0.00 -0.31 0.00 0.00 175.10 175.32 3knl n ALA 15 N 4.25 -0.10 -1.57 1.32 0.00 -1.26 -3.25 120.51 119.90 3knl n ALA 15 Ca -0.26 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.73 3knl n ALA 15 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3knl n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knl n SER 16 N -0.96 3.03 -1.48 0.00 2.88 -1.26 -2.51 113.62 113.32 3knl n SER 16 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 3knl n SER 16 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 3knl n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3knl n GLY 17 N 5.93 4.99 2.99 0.46 0.00 0.24 -4.30 105.19 115.51 3knl n GLY 17 Ca 0.32 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 3knl n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knl s ARG 18 N -1.20 0.38 -0.07 1.61 3.52 -0.89 -2.45 118.95 119.85 3knl s ARG 18 Ca 0.00 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.09 3knl s ARG 18 Cb 0.00 -0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.25 3knl s ARG 18 CO 0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 175.30 174.51 3knl s ALA 19 N -0.95 0.72 -0.23 6.12 0.00 0.12 -1.56 121.76 125.96 3knl s ALA 19 Ca -0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 3knl s ALA 19 Cb -0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3knl s ALA 19 CO -0.00 -0.39 -0.00 0.71 0.00 0.00 0.00 175.76 176.07 3knl s TYR 20 N 1.80 3.01 -0.44 0.00 1.51 0.94 0.05 117.35 124.21 3knl s TYR 20 Ca 0.03 -0.81 -0.15 0.00 -1.01 0.00 0.00 57.07 55.13 3knl s TYR 20 Cb -0.13 -2.15 0.05 0.00 -0.11 0.00 0.00 41.96 39.63 3knl s TYR 20 CO -0.05 -0.50 0.34 0.42 -1.11 0.00 0.00 175.55 174.65 3knl s ILE 21 N 1.51 5.13 -0.82 2.71 1.09 0.14 -0.98 121.20 129.98 3knl s ILE 21 Ca 0.06 -0.94 -0.18 0.00 -1.10 0.00 0.00 60.65 58.48 3knl s ILE 21 Cb -0.15 -3.99 0.14 0.00 -1.06 0.00 0.00 42.46 37.41 3knl s ILE 21 CO -0.01 -0.47 0.95 -2.28 -0.10 0.00 0.00 174.94 173.04 3knl s HIS 22 N 1.63 3.21 -0.67 3.97 2.46 -0.48 -0.18 115.29 125.24 3knl s HIS 22 Ca 0.04 -1.39 -0.25 0.00 0.47 0.00 0.00 55.06 53.93 3knl s HIS 22 Cb -0.22 -4.13 0.05 0.00 -0.13 0.00 0.00 32.58 28.15 3knl s HIS 22 CO 0.07 -1.35 1.09 0.00 -2.47 0.00 0.00 174.74 172.09 3knl s ALA 23 N 2.20 2.98 0.00 1.58 0.00 -0.89 -2.30 121.76 125.33 3knl s ALA 23 Ca 0.25 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3knl s ALA 23 Cb -0.11 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3knl s ALA 23 CO -0.05 -2.90 0.00 0.45 0.00 0.00 0.00 175.76 173.26 3knl n SER 24 N 8.33 0.00 0.00 0.00 2.88 -0.62 -4.12 113.62 120.09 3knl n SER 24 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3knl n SER 24 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3knl n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3knl n TYR 25 N 0.00 0.00 -0.17 0.66 4.02 -1.26 -3.87 117.16 116.54 3knl n TYR 25 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 3knl n TYR 25 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 39.48 3knl n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3knl n ASN 26 N -0.85 2.99 -1.13 7.72 3.02 -1.26 -4.41 115.26 121.34 3knl n ASN 26 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3knl n ASN 26 Cb 0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 3knl n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3knl n ASN 27 N 0.62 -0.06 -3.21 6.41 2.85 -1.26 -3.11 115.26 117.50 3knl n ASN 27 Ca 0.13 -1.01 0.04 0.00 -0.11 0.00 0.00 54.58 53.63 3knl n ASN 27 Cb 0.44 0.09 -0.03 0.00 1.24 0.00 0.00 39.78 41.52 3knl n ASN 27 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3knl s THR 28 N -2.16 -0.30 -0.05 -0.44 2.01 -1.26 -1.59 115.64 111.87 3knl s THR 28 Ca 0.01 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.08 3knl s THR 28 Cb -0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.50 3knl s THR 28 CO -0.00 0.00 -0.24 0.27 -0.69 0.00 0.00 174.62 173.96 3knl s ILE 29 N 2.68 1.95 -0.21 1.82 -5.25 -0.97 -2.03 121.20 119.19 3knl s ILE 29 Ca -0.02 -1.02 -0.01 0.00 -0.99 0.00 0.00 60.65 58.61 3knl s ILE 29 Cb -0.07 -1.64 0.01 0.00 2.95 0.00 0.00 42.46 43.70 3knl s ILE 29 CO -0.13 0.55 -0.11 0.68 -1.79 0.00 0.00 174.94 174.14 3knl s VAL 30 N -0.25 2.74 -0.21 8.37 -7.23 0.17 -1.38 120.40 122.60 3knl s VAL 30 Ca -0.00 -0.79 -0.08 0.00 -1.81 0.00 0.00 61.98 59.30 3knl s VAL 30 Cb -0.12 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3knl s VAL 30 CO 0.02 0.42 0.09 -0.89 -0.31 0.00 0.00 175.10 174.44 3knl s THR 31 N 1.37 4.86 -0.36 5.32 2.01 -0.15 -1.98 115.64 126.70 3knl s THR 31 Ca 0.04 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 61.94 3knl s THR 31 Cb -0.14 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.16 3knl s THR 31 CO -0.07 0.40 0.18 -0.63 -0.69 0.00 0.00 174.62 173.80 3knl s ILE 32 N 0.86 4.41 0.06 1.82 1.01 0.16 -0.04 121.20 129.47 3knl s ILE 32 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.82 3knl s ILE 32 Cb -0.13 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.89 3knl s ILE 32 CO 0.03 -0.20 0.07 0.35 0.00 0.00 0.00 174.94 175.18 3knl n THR 33 N 4.96 0.00 -4.02 2.92 -2.24 -0.60 0.17 114.28 115.47 3knl n THR 33 Ca -0.12 -0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 3knl n THR 33 Cb 0.46 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 3knl n THR 33 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3knl s ASP 34 N -1.37 4.55 0.32 3.42 3.84 -0.56 -2.09 116.67 124.78 3knl s ASP 34 Ca 0.05 -1.34 0.11 0.00 -0.00 0.00 0.00 52.55 51.37 3knl s ASP 34 Cb -0.00 0.53 1.00 0.00 -1.38 0.00 0.00 42.92 43.06 3knl s ASP 34 CO 0.03 -1.12 1.50 -2.65 -0.00 0.00 0.00 175.17 172.93 3knl n PRO 35 N -1.73 -0.07 0.15 2.11 -0.02 -1.26 0.09 135.00 134.27 3knl n PRO 35 Ca -0.05 1.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.92 3knl n PRO 35 Cb 0.65 -2.31 0.11 0.00 -0.02 0.00 0.00 33.50 31.93 3knl n PRO 35 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3knl h ASP 36 N 0.00 0.00 0.00 2.55 3.45 -1.97 -3.48 116.42 116.97 3knl h ASP 36 Ca 0.69 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 58.13 3knl h ASP 36 Cb 1.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.42 3knl h ASP 36 CO -0.82 0.01 0.00 0.61 -1.57 0.00 0.00 179.24 177.47 3knl n GLY 37 N 1.17 0.92 3.68 2.75 0.00 0.11 -5.09 105.19 108.73 3knl n GLY 37 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3knl n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3knl s ASN 38 N -0.85 7.20 0.15 1.61 0.02 -1.26 -4.57 114.94 117.23 3knl s ASN 38 Ca 0.00 1.52 -0.34 0.00 -1.02 0.00 0.00 52.86 53.02 3knl s ASN 38 Cb 0.00 -2.55 -0.16 0.00 0.02 0.00 0.00 41.25 38.56 3knl s ASN 38 CO 0.00 -0.51 1.29 -2.65 0.02 0.00 0.00 177.10 175.25 3knl n PRO 39 N 5.33 1.35 -0.10 -0.60 -0.02 -1.26 -1.50 135.00 138.20 3knl n PRO 39 Ca 0.10 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 3knl n PRO 39 Cb 0.48 -2.08 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 3knl n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3knl n ILE 40 N 2.09 1.10 -3.64 4.25 2.08 0.45 -4.88 119.36 120.80 3knl n ILE 40 Ca 0.16 -0.43 -0.07 0.00 0.56 0.00 0.00 62.75 62.97 3knl n ILE 40 Cb 0.24 -1.16 -0.07 0.00 -0.75 0.00 0.00 39.64 37.90 3knl n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3knl s THR 41 N -2.38 0.00 0.34 1.39 2.01 -0.27 -5.01 115.64 111.72 3knl s THR 41 Ca -0.25 0.00 0.05 0.00 0.31 0.00 0.00 61.69 61.80 3knl s THR 41 Cb 0.07 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.51 3knl s THR 41 CO 0.45 0.00 0.04 -1.66 -0.69 0.00 0.00 174.62 172.76 3knl s TRP 42 N 0.58 2.10 -0.04 4.92 1.48 -1.26 0.38 118.94 127.09 3knl s TRP 42 Ca -0.01 -0.87 -0.29 0.00 -1.06 0.00 0.00 56.10 53.87 3knl s TRP 42 Cb -0.05 -1.40 0.09 0.00 -1.16 0.00 0.00 33.47 30.96 3knl s TRP 42 CO -0.09 0.14 0.77 0.45 -4.06 0.00 0.00 176.95 174.16 3knl s SER 43 N -3.54 -0.54 0.37 -2.66 0.15 -0.84 -4.76 113.70 101.88 3knl s SER 43 Ca 0.36 0.46 0.03 0.00 0.70 0.00 0.00 55.95 57.50 3knl s SER 43 Cb 0.09 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 3knl s SER 43 CO 0.16 -0.59 0.12 -1.54 1.20 0.00 0.00 173.24 172.58 3knl n SER 44 N 0.56 1.40 -0.04 5.45 3.41 -1.26 0.41 113.62 123.56 3knl n SER 44 Ca -0.15 -2.91 -0.11 0.00 -0.26 0.00 0.00 58.87 55.43 3knl n SER 44 Cb 0.59 0.85 0.03 0.00 -0.26 0.00 0.00 64.21 65.41 3knl n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3knl h GLY 45 N 1.39 0.77 2.00 5.00 0.00 -1.69 -2.96 103.07 107.59 3knl h GLY 45 Ca -0.29 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.11 3knl h GLY 45 CO 0.46 0.77 -0.37 -1.33 0.00 0.00 0.00 176.54 176.07 3knl h GLY 46 N 0.92 0.00 1.24 4.60 0.00 -1.88 -2.99 103.07 104.97 3knl h GLY 46 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.44 3knl h GLY 46 CO 0.10 0.00 0.30 -2.08 0.00 0.00 0.00 176.54 174.87 3knl h VAL 47 N 0.00 0.88 -3.65 4.60 2.07 -1.77 -3.38 116.25 115.00 3knl h VAL 47 Ca -0.00 -0.07 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 3knl h VAL 47 Cb 1.19 0.66 0.08 0.00 -1.52 0.00 0.00 31.29 31.69 3knl h VAL 47 CO 0.05 0.04 0.17 -0.38 0.02 0.00 0.00 177.57 177.47 3knl n ILE 48 N -4.46 0.00 0.29 4.57 2.08 -1.13 -4.90 119.36 115.81 3knl n ILE 48 Ca 0.07 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.68 3knl n ILE 48 Cb 0.37 -1.48 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 3knl n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3knl n GLY 49 N 0.21 -0.09 3.77 7.39 0.00 -1.26 -4.79 105.19 110.41 3knl n GLY 49 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3knl n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knl s TYR 50 N -1.84 3.15 -0.30 1.61 1.51 -1.24 -5.08 117.35 115.16 3knl s TYR 50 Ca 0.00 0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.00 3knl s TYR 50 Cb 0.00 -1.57 0.16 0.00 -0.11 0.00 0.00 41.96 40.44 3knl s TYR 50 CO 0.00 0.52 0.80 -1.59 -1.11 0.00 0.00 175.55 174.17 3knl s LYS 51 N -2.64 0.43 0.00 -0.62 -2.85 -1.26 -3.77 119.74 109.02 3knl s LYS 51 Ca 0.29 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 56.20 3knl s LYS 51 Cb -0.11 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3knl s LYS 51 CO 0.22 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.80 3knl n GLY 52 N 5.31 0.40 0.09 0.59 0.00 -1.26 -4.61 105.19 105.71 3knl n GLY 52 Ca -0.07 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.76 3knl n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3knl h SER 53 N 0.00 0.00 0.00 1.61 0.02 -2.00 -3.22 113.55 109.96 3knl h SER 53 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3knl h SER 53 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3knl h SER 53 CO 0.00 0.83 0.00 0.54 -1.14 0.00 0.00 176.83 177.06 3knl n ARG 54 N -3.10 0.11 -0.05 3.45 1.74 -1.26 -1.92 116.66 115.63 3knl n ARG 54 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 3knl n ARG 54 Cb 0.93 -1.04 -0.06 0.00 -1.02 0.00 0.00 32.46 31.28 3knl n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knl n LYS 55 N 0.13 1.16 0.01 5.56 5.02 -1.22 -4.48 118.16 124.34 3knl n LYS 55 Ca 0.00 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 3knl n LYS 55 Cb 0.02 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 3knl n LYS 55 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3knl h GLY 56 N 1.14 0.08 0.00 0.72 0.00 -1.32 -3.37 103.07 100.32 3knl h GLY 56 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3knl h GLY 56 CO -0.02 0.02 0.00 2.41 0.00 0.00 0.00 176.54 178.95 3knl n THR 57 N -5.07 0.00 0.17 4.70 -1.04 -1.24 -3.79 114.28 108.02 3knl n THR 57 Ca -0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.85 3knl n THR 57 Cb 0.04 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.49 3knl n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3knl h PRO 58 N 0.00 -0.48 -1.00 -2.82 0.13 -1.89 -2.64 132.00 123.30 3knl h PRO 58 Ca 0.00 0.03 0.24 0.00 -0.87 0.00 0.00 66.00 65.40 3knl h PRO 58 Cb 0.00 0.11 -0.09 0.00 0.13 0.00 0.00 31.00 31.15 3knl h PRO 58 CO 0.00 -0.21 0.64 -0.92 -0.23 0.00 0.00 178.00 177.28 3knl h TYR 59 N -1.03 0.73 -0.25 1.56 3.20 -1.95 0.78 116.97 120.00 3knl h TYR 59 Ca -0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3knl h TYR 59 Cb 0.50 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3knl h TYR 59 CO 0.02 0.12 0.13 0.00 -1.64 0.00 0.00 178.16 176.79 3knl h ALA 60 N 1.63 0.32 -0.13 1.82 0.00 -1.87 -2.23 119.26 118.80 3knl h ALA 60 Ca 0.56 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.45 3knl h ALA 60 Cb 1.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3knl h ALA 60 CO -0.29 -0.14 -0.32 0.00 0.00 0.00 0.00 179.25 178.50 3knl h ALA 61 N 1.00 -0.37 -0.50 0.00 0.00 0.88 0.37 119.26 120.64 3knl h ALA 61 Ca 0.09 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3knl h ALA 61 Cb 0.08 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 3knl h ALA 61 CO -0.01 -0.79 -0.47 0.37 0.00 0.00 0.00 179.25 178.34 3knl h GLN 62 N -0.39 -0.21 -0.88 0.00 4.15 -0.79 0.24 115.11 117.22 3knl h GLN 62 Ca 0.10 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.73 3knl h GLN 62 Cb 0.54 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.17 3knl h GLN 62 CO -0.35 -0.14 0.40 -0.07 -1.93 0.00 0.00 178.83 176.74 3knl h LEU 63 N -0.22 0.39 -0.41 -2.39 3.38 -0.71 -1.81 115.31 113.53 3knl h LEU 63 Ca 0.08 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3knl h LEU 63 Cb 0.45 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3knl h LEU 63 CO -0.59 0.07 0.10 0.00 0.09 0.00 0.00 178.44 178.11 3knl h ALA 64 N 1.66 0.54 0.00 1.53 0.00 0.15 -1.67 119.26 121.47 3knl h ALA 64 Ca 0.53 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3knl h ALA 64 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3knl h ALA 64 CO -0.47 0.22 -0.30 0.00 0.00 0.00 0.00 179.25 178.69 3knl h ALA 65 N 0.95 1.17 0.06 0.00 0.00 -0.17 -2.40 119.26 118.87 3knl h ALA 65 Ca 0.13 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 3knl h ALA 65 Cb 0.31 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.08 3knl h ALA 65 CO 0.00 0.38 -1.14 -0.07 0.00 0.00 0.00 179.25 178.42 3knl h LEU 66 N 0.00 0.90 -0.47 0.00 3.38 -1.15 -0.63 115.31 117.33 3knl h LEU 66 Ca -0.00 -0.77 0.04 0.00 0.09 0.00 0.00 57.88 57.24 3knl h LEU 66 Cb 0.69 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3knl h LEU 66 CO 0.04 1.57 0.24 -0.78 0.09 0.00 0.00 178.44 179.60 3knl h ASP 67 N 0.34 0.35 -0.94 -0.43 -0.00 -1.15 0.51 116.42 115.10 3knl h ASP 67 Ca -0.16 0.02 0.03 0.00 -0.00 0.00 0.00 57.03 56.93 3knl h ASP 67 Cb 1.80 -0.04 -0.05 0.00 -0.00 0.00 0.00 39.33 41.04 3knl h ASP 67 CO 0.22 0.24 0.62 0.00 -0.00 0.00 0.00 179.24 180.32 3knl h ALA 68 N 1.25 1.38 0.24 -0.78 0.00 -1.35 -0.10 119.26 119.90 3knl h ALA 68 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3knl h ALA 68 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3knl h ALA 68 CO -0.14 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.54 3knl h ALA 69 N 1.44 -0.32 -0.00 0.00 0.00 0.61 -0.14 119.26 120.85 3knl h ALA 69 Ca 0.36 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3knl h ALA 69 Cb -0.03 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3knl h ALA 69 CO -0.10 -0.38 -0.41 -0.22 0.00 0.00 0.00 179.25 178.13 3knl h LYS 70 N -0.90 -0.54 -0.24 0.00 3.64 -0.00 0.56 116.57 119.09 3knl h LYS 70 Ca -0.03 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3knl h LYS 70 Cb 0.50 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 3knl h LYS 70 CO 0.05 -0.36 -0.36 0.87 -2.27 0.00 0.00 179.45 177.38 3knl h LYS 71 N -0.56 -0.36 -0.96 1.90 1.57 -1.10 -1.03 116.57 116.03 3knl h LYS 71 Ca 0.05 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 3knl h LYS 71 Cb 0.64 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.95 3knl h LYS 71 CO -0.31 -0.24 0.58 0.00 -0.57 0.00 0.00 179.45 178.91 3knl h ALA 72 N 0.44 1.47 0.00 3.86 0.00 -0.12 -0.69 119.26 124.22 3knl h ALA 72 Ca 0.12 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3knl h ALA 72 Cb 0.57 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3knl h ALA 72 CO -0.44 0.11 -0.12 0.52 0.00 0.00 0.00 179.25 179.32 3knl h MET 73 N 0.87 0.00 -0.91 0.00 2.86 0.14 -1.43 114.93 116.46 3knl h MET 73 Ca 0.50 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.16 3knl h MET 73 Cb 0.58 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 3knl h MET 73 CO -0.30 0.12 0.60 0.00 1.06 0.00 0.00 176.91 178.40 3knl h ALA 74 N 1.88 1.38 0.00 6.32 0.00 -0.69 -1.69 119.26 126.46 3knl h ALA 74 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3knl h ALA 74 Cb 0.29 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3knl h ALA 74 CO 0.02 0.56 0.00 0.66 0.00 0.00 0.00 179.25 180.48 3knl n TYR 75 N -4.42 0.00 -0.53 0.00 4.02 -0.55 -4.76 117.16 110.93 3knl n TYR 75 Ca 0.11 -0.78 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 3knl n TYR 75 Cb 0.05 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 3knl n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knl n GLY 76 N 1.12 0.54 3.59 2.72 0.00 -0.63 -2.55 105.19 109.97 3knl n GLY 76 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3knl n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3knl n MET 77 N -2.00 1.18 0.06 1.61 0.00 -1.19 -4.02 117.12 112.75 3knl n MET 77 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 57.70 58.13 3knl n MET 77 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 31.21 3knl n MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3knl n GLN 78 N -0.03 0.00 -4.17 2.12 6.02 -1.04 -4.58 117.38 115.69 3knl n GLN 78 Ca 0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.76 3knl n GLN 78 Cb 0.41 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.51 3knl n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3knl s SER 79 N -4.63 3.21 0.11 1.08 1.04 -1.21 -2.03 113.70 111.27 3knl s SER 79 Ca 0.00 -0.63 0.10 0.00 0.48 0.00 0.00 55.95 55.90 3knl s SER 79 Cb 0.00 -1.49 -0.04 0.00 0.10 0.00 0.00 66.02 64.59 3knl s SER 79 CO 0.00 0.01 -0.23 0.68 0.98 0.00 0.00 173.24 174.68 3knl s VAL 80 N 1.24 2.50 -0.22 5.02 -7.23 -0.81 0.82 120.40 121.73 3knl s VAL 80 Ca 0.04 -1.60 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 3knl s VAL 80 Cb -0.13 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 3knl s VAL 80 CO -0.11 0.13 0.15 -1.81 -0.31 0.00 0.00 175.10 173.14 3knl s ASP 81 N -2.00 6.16 0.14 4.85 1.11 -1.02 -1.42 116.67 124.49 3knl s ASP 81 Ca 0.15 0.17 -0.06 0.00 0.18 0.00 0.00 52.55 52.99 3knl s ASP 81 Cb -0.10 -2.10 -0.06 0.00 1.07 0.00 0.00 42.92 41.73 3knl s ASP 81 CO 0.07 0.12 0.39 -0.69 1.18 0.00 0.00 175.17 176.25 3knl s VAL 82 N 0.71 5.14 -0.22 -1.27 1.01 -0.33 0.11 120.40 125.55 3knl s VAL 82 Ca 0.08 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3knl s VAL 82 Cb -0.12 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.74 3knl s VAL 82 CO 0.01 0.08 0.25 -0.63 0.00 0.00 0.00 175.10 174.81 3knl s ILE 83 N -1.62 -0.37 0.35 2.22 1.01 0.11 -3.49 121.20 119.41 3knl s ILE 83 Ca 0.40 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.96 3knl s ILE 83 Cb -0.12 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 3knl s ILE 83 CO 0.23 -0.21 0.50 0.68 0.00 0.00 0.00 174.94 176.14 3knl s VAL 84 N 2.36 4.12 -0.17 2.92 -7.23 -0.65 0.26 120.40 122.02 3knl s VAL 84 Ca 0.08 -0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 3knl s VAL 84 Cb -0.16 -3.45 0.06 0.00 0.56 0.00 0.00 36.38 33.39 3knl s VAL 84 CO -0.14 -0.20 0.41 -0.13 -0.31 0.00 0.00 175.10 174.73 3knl s ARG 85 N -4.24 0.40 0.30 4.82 0.52 0.75 -2.46 118.95 119.05 3knl s ARG 85 Ca 0.45 0.74 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 3knl s ARG 85 Cb -0.10 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.39 3knl s ARG 85 CO 0.32 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.91 3knl n GLY 86 N 4.02 -3.64 3.74 -3.53 0.00 -1.26 -2.10 105.19 102.42 3knl n GLY 86 Ca -0.22 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 3knl n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knl s THR 87 N -3.98 3.00 -0.06 2.61 2.01 -1.26 -4.25 115.64 113.71 3knl s THR 87 Ca 0.00 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.03 3knl s THR 87 Cb 0.00 -2.69 0.10 0.00 0.01 0.00 0.00 72.50 69.92 3knl s THR 87 CO 0.00 -0.42 0.87 -0.83 -0.69 0.00 0.00 174.62 173.55 3knl s GLY 88 N -3.19 -0.42 0.04 4.40 0.00 -1.25 -4.24 107.32 102.65 3knl s GLY 88 Ca 0.63 1.44 -0.08 0.00 0.00 0.00 0.00 44.72 46.71 3knl s GLY 88 CO 0.56 0.72 1.13 0.00 0.00 0.00 0.00 173.10 175.51 3knl h ALA 89 N 2.42 -0.20 -2.16 3.20 0.00 -1.82 -3.06 119.26 117.64 3knl h ALA 89 Ca -0.22 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 3knl h ALA 89 Cb 1.20 1.02 -0.40 0.00 0.00 0.00 0.00 17.79 19.60 3knl h ALA 89 CO 0.33 -0.29 -0.42 0.41 0.00 0.00 0.00 179.25 179.28 3knl n GLY 90 N -1.07 5.31 0.07 0.00 0.00 -1.25 -4.75 105.19 103.50 3knl n GLY 90 Ca 0.00 -2.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.12 3knl n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3knl h ARG 91 N 3.69 -0.00 -0.46 1.61 1.12 -1.91 -3.15 114.38 115.28 3knl h ARG 91 Ca 0.19 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.05 3knl h ARG 91 Cb 0.56 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 3knl h ARG 91 CO 0.88 0.94 0.25 1.49 -3.11 0.00 0.00 179.97 180.43 3knl h GLU 92 N -0.99 0.65 -0.48 0.20 4.57 -1.86 -1.19 114.58 115.47 3knl h GLU 92 Ca -0.00 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3knl h GLU 92 Cb 0.94 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3knl h GLU 92 CO 0.00 0.51 0.32 1.96 -1.18 0.00 0.00 179.01 180.62 3knl h GLN 93 N 0.61 0.50 0.19 1.92 1.08 -1.91 0.41 115.11 117.90 3knl h GLN 93 Ca 0.16 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3knl h GLN 93 Cb 0.06 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3knl h GLN 93 CO -0.03 0.33 -0.09 0.00 -0.95 0.00 0.00 178.83 178.10 3knl h ALA 94 N 1.73 -0.26 -0.19 3.87 0.00 -1.21 0.13 119.26 123.33 3knl h ALA 94 Ca 0.19 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3knl h ALA 94 Cb 0.13 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3knl h ALA 94 CO -0.05 -0.61 -0.40 0.82 0.00 0.00 0.00 179.25 179.02 3knl h ILE 95 N -0.33 0.00 -0.83 0.00 1.08 -0.29 -1.75 117.51 115.38 3knl h ILE 95 Ca -0.03 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.64 3knl h ILE 95 Cb 0.26 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.86 3knl h ILE 95 CO 0.04 0.00 0.01 0.03 -0.69 0.00 0.00 178.15 177.54 3knl h ARG 96 N -0.36 0.08 -0.41 2.37 3.08 -0.62 -0.03 114.38 118.50 3knl h ARG 96 Ca 0.04 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3knl h ARG 96 Cb 0.46 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 3knl h ARG 96 CO -0.37 0.05 -0.11 0.00 -1.07 0.00 0.00 179.97 178.48 3knl h ALA 97 N 1.79 0.26 0.20 0.04 0.00 0.15 0.13 119.26 121.83 3knl h ALA 97 Ca 0.47 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 3knl h ALA 97 Cb 0.86 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3knl h ALA 97 CO -0.75 -0.46 -0.10 -0.07 0.00 0.00 0.00 179.25 177.88 3knl h LEU 98 N -0.01 -0.23 -1.03 0.00 3.38 -0.70 -0.53 115.31 116.20 3knl h LEU 98 Ca 0.20 -0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.28 3knl h LEU 98 Cb 0.30 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 3knl h LEU 98 CO -0.42 0.04 0.59 1.56 0.09 0.00 0.00 178.44 180.30 3knl h GLN 99 N -0.50 0.45 -1.91 1.13 4.20 -0.89 0.84 115.11 118.43 3knl h GLN 99 Ca -0.03 -0.03 -0.71 0.00 0.06 0.00 0.00 58.65 57.94 3knl h GLN 99 Cb 0.38 -0.10 -0.32 0.00 0.30 0.00 0.00 27.48 27.74 3knl h GLN 99 CO 0.05 0.30 0.45 0.00 -0.67 0.00 0.00 178.83 178.95 3knl n ALA 100 N -2.32 5.95 -0.25 3.87 0.00 0.41 -4.41 120.51 123.76 3knl n ALA 100 Ca 0.29 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.46 3knl n ALA 100 Cb 0.86 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3knl n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3knl n SER 101 N -0.45 0.96 -2.60 0.00 3.41 0.29 -4.81 113.62 110.42 3knl n SER 101 Ca 0.48 -1.21 -0.06 0.00 -0.26 0.00 0.00 58.87 57.82 3knl n SER 101 Cb 0.37 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.34 3knl n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knl n GLY 102 N -0.11 -0.64 3.15 5.00 0.00 -1.26 -4.92 105.19 106.42 3knl n GLY 102 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.34 3knl n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knl s LEU 103 N -4.07 -1.00 0.07 0.99 1.98 -1.26 -5.04 118.68 110.36 3knl s LEU 103 Ca 0.18 0.60 -0.37 0.00 -2.89 0.00 0.00 54.13 51.65 3knl s LEU 103 Cb -0.02 1.83 -0.17 0.00 0.66 0.00 0.00 46.19 48.48 3knl s LEU 103 CO 0.49 -0.19 1.31 1.67 -1.89 0.00 0.00 176.35 177.74 3knl n GLN 104 N 5.44 1.01 -2.88 1.98 7.27 -0.86 -4.70 117.38 124.64 3knl n GLN 104 Ca -0.03 0.37 -0.39 0.00 0.07 0.00 0.00 57.00 57.01 3knl n GLN 104 Cb 0.52 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.18 3knl n GLN 104 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3knl n VAL 105 N 2.41 5.19 -0.09 1.69 0.24 -1.26 -1.92 118.33 124.60 3knl n VAL 105 Ca 0.19 -5.87 -0.02 0.00 -2.04 0.00 0.00 64.34 56.60 3knl n VAL 105 Cb 0.18 -1.78 -0.02 0.00 -1.47 0.00 0.00 33.84 30.74 3knl n VAL 105 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3knl n LYS 106 N 0.52 -0.09 -4.53 7.34 5.02 -0.50 -4.77 118.16 121.15 3knl n LYS 106 Ca 0.36 0.65 -0.26 0.00 -2.02 0.00 0.00 58.31 57.03 3knl n LYS 106 Cb 0.31 -0.96 -0.08 0.00 -0.02 0.00 0.00 35.03 34.29 3knl n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3knl s SER 107 N -3.85 2.91 0.20 4.39 1.04 -1.24 -4.97 113.70 112.18 3knl s SER 107 Ca -0.02 -1.73 -0.10 0.00 0.48 0.00 0.00 55.95 54.57 3knl s SER 107 Cb 0.02 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3knl s SER 107 CO 0.13 -0.99 0.36 -0.63 0.98 0.00 0.00 173.24 173.08 3knl s ILE 108 N -3.17 0.03 0.00 -1.02 1.01 -1.25 -1.19 121.20 115.61 3knl s ILE 108 Ca 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.43 3knl s ILE 108 Cb 0.01 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.42 3knl s ILE 108 CO 0.15 -0.13 0.00 1.33 0.00 0.00 0.00 174.94 176.29 3knl n VAL 109 N -0.30 0.00 -3.61 2.92 0.24 -1.23 -4.87 118.33 111.48 3knl n VAL 109 Ca -0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 3knl n VAL 109 Cb 0.63 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.92 3knl n VAL 109 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3knl s ASP 110 N 0.00 5.66 -0.33 -1.34 2.15 -1.26 -1.63 116.67 119.91 3knl s ASP 110 Ca 0.00 -2.86 -0.03 0.00 0.43 0.00 0.00 52.55 50.09 3knl s ASP 110 Cb 0.00 -1.95 0.07 0.00 -0.30 0.00 0.00 42.92 40.74 3knl s ASP 110 CO 0.00 -0.41 2.58 -0.67 -0.17 0.00 0.00 175.17 176.50 3knl n ASP 111 N 3.55 6.27 -4.69 -0.34 4.64 -1.03 -4.92 116.55 120.03 3knl n ASP 111 Ca 0.10 -3.03 -0.42 0.00 -1.38 0.00 0.00 54.79 50.06 3knl n ASP 111 Cb 0.40 -1.19 -0.03 0.00 -1.04 0.00 0.00 41.12 39.26 3knl n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3knl s THR 112 N -1.76 3.80 0.87 5.18 2.01 -1.26 -4.80 115.64 119.67 3knl s THR 112 Ca 0.47 1.16 -0.10 0.00 0.31 0.00 0.00 61.69 63.52 3knl s THR 112 Cb 0.31 -3.74 0.12 0.00 0.01 0.00 0.00 72.50 69.19 3knl s THR 112 CO -0.11 -0.01 1.12 -2.16 -0.69 0.00 0.00 174.62 172.77 3knl s PRO 113 N 2.52 1.44 -0.30 4.92 0.04 -1.26 -4.91 135.00 137.45 3knl s PRO 113 Ca 0.63 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.91 3knl s PRO 113 Cb -0.30 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.63 3knl s PRO 113 CO 0.25 -2.27 1.01 0.54 0.04 0.00 0.00 177.00 176.57 3knl s VAL 114 N -2.76 -0.34 0.66 -0.36 0.11 -1.26 -4.94 120.40 111.51 3knl s VAL 114 Ca 0.64 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.53 3knl s VAL 114 Cb -0.20 -0.55 -0.00 0.00 -1.53 0.00 0.00 36.38 34.09 3knl s VAL 114 CO 0.57 0.00 1.20 -2.16 -3.33 0.00 0.00 175.10 171.38 3knl s PRO 115 N 2.95 2.60 -0.31 1.54 0.04 -1.26 -4.89 135.00 135.67 3knl s PRO 115 Ca 0.17 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 3knl s PRO 115 Cb -0.05 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.72 3knl s PRO 115 CO -0.19 -1.48 2.33 0.72 0.04 0.00 0.00 177.00 178.42 3knl n HIS 116 N -2.15 1.35 -2.11 0.56 8.25 -1.26 -4.79 115.22 115.07 3knl n HIS 116 Ca 0.13 -1.86 -0.01 0.00 -0.26 0.00 0.00 57.72 55.72 3knl n HIS 116 Cb 0.50 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.52 3knl n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3knl n ASN 117 N 0.71 -3.83 0.04 0.41 5.03 -1.26 -5.08 115.26 111.28 3knl n ASN 117 Ca 0.34 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.52 3knl n ASN 117 Cb 0.59 -3.25 0.00 0.00 -1.02 0.00 0.00 39.78 36.10 3knl n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knl n GLY 118 N 0.54 -0.08 3.42 7.41 0.00 -1.26 -5.08 105.19 110.14 3knl n GLY 118 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3knl n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knl n ARG 120 N 4.93 0.77 -2.21 0.00 0.63 -1.26 -4.89 116.66 114.63 3knl n ARG 120 Ca -0.15 0.27 -0.29 0.00 -0.92 0.00 0.00 57.85 56.77 3knl n ARG 120 Cb 0.50 -1.76 0.01 0.00 0.45 0.00 0.00 32.46 31.66 3knl n ARG 120 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3knl s PRO 121 N -0.12 3.39 0.53 -0.14 0.02 -1.26 -5.02 135.00 132.40 3knl s PRO 121 Ca 0.80 0.42 -0.22 0.00 0.02 0.00 0.00 61.00 62.01 3knl s PRO 121 Cb -0.99 -2.20 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 3knl s PRO 121 CO 0.52 -0.52 1.36 1.17 -0.33 0.00 0.00 177.00 179.21 3knl n LYS 122 N -2.59 1.78 -0.35 5.54 4.81 -1.26 -4.74 118.16 121.34 3knl n LYS 122 Ca 0.04 0.65 0.27 0.00 -0.87 0.00 0.00 58.31 58.40 3knl n LYS 122 Cb 0.55 -2.57 0.55 0.00 0.02 0.00 0.00 35.03 33.58 3knl n LYS 122 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3knl h LYS 123 N 1.57 0.29 0.00 1.64 3.64 -2.01 0.25 116.57 121.96 3knl h LYS 123 Ca -0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3knl h LYS 123 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3knl h LYS 123 CO 0.58 0.20 0.17 -0.22 -2.27 0.00 0.00 179.45 177.90 3knl h LYS 124 N 0.30 0.00 0.00 1.90 3.64 -2.04 -2.17 116.57 118.20 3knl h LYS 124 Ca 0.65 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 3knl h LYS 124 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3knl h LYS 124 CO -0.32 0.00 -0.06 1.19 -2.27 0.00 0.00 179.45 177.98 3knl n PHE 125 N -2.81 0.00 1.39 1.91 3.72 0.88 -5.23 117.46 117.32 3knl n PHE 125 Ca -0.02 -0.75 0.14 0.00 -0.05 0.00 0.00 57.45 56.76 3knl n PHE 125 Cb 0.22 -0.11 0.43 0.00 -0.94 0.00 0.00 39.48 39.07 3knl n PHE 125 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25