#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj n ARG 12 N 0.00 0.00 -3.69 1.97 0.63 -1.26 -5.01 116.66 109.30 3knj n ARG 12 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3knj n ARG 12 Cb 0.00 -0.75 -0.09 0.00 0.45 0.00 0.00 32.46 32.07 3knj n ARG 12 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3knj s GLN 13 N -0.75 0.59 0.15 -0.14 -0.21 -1.26 -5.04 119.66 113.00 3knj s GLN 13 Ca 0.43 0.79 0.07 0.00 0.02 0.00 0.00 55.36 56.67 3knj s GLN 13 Cb -0.41 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.78 3knj s GLN 13 CO 0.48 -0.10 -0.16 0.14 -2.12 0.00 0.00 175.29 173.54 3knj s VAL 14 N 0.61 1.55 -0.23 1.09 -7.23 -1.24 -5.01 120.40 109.93 3knj s VAL 14 Ca -0.03 -1.85 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 3knj s VAL 14 Cb -0.05 -1.71 -0.17 0.00 0.56 0.00 0.00 36.38 35.02 3knj s VAL 14 CO -0.04 -0.40 -0.18 0.00 -0.31 0.00 0.00 175.10 174.18 3knj n ALA 15 N 0.34 1.49 -2.06 1.32 0.00 -1.26 -3.77 120.51 116.56 3knj n ALA 15 Ca -0.14 -1.06 -0.36 0.00 0.00 0.00 0.00 53.44 51.89 3knj n ALA 15 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 3knj n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knj n SER 16 N -3.13 3.62 -5.00 0.00 2.88 -1.26 -1.39 113.62 109.33 3knj n SER 16 Ca -0.41 -2.77 -0.18 0.00 -1.33 0.00 0.00 58.87 54.18 3knj n SER 16 Cb 0.98 -1.65 0.03 0.00 -0.75 0.00 0.00 64.21 62.82 3knj n SER 16 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3knj s GLY 17 N 5.32 1.89 0.11 0.46 0.00 -0.17 -3.64 107.32 111.28 3knj s GLY 17 Ca 0.61 -1.76 0.10 0.00 0.00 0.00 0.00 44.72 43.68 3knj s GLY 17 CO 0.10 -1.49 -0.26 -1.60 0.00 0.00 0.00 173.10 169.85 3knj s ARG 18 N -4.47 1.41 -0.21 2.90 6.06 0.25 -3.63 118.95 121.25 3knj s ARG 18 Ca 0.57 -1.28 -0.02 0.00 -2.50 0.00 0.00 55.73 52.50 3knj s ARG 18 Cb -0.09 -1.82 0.07 0.00 0.06 0.00 0.00 34.95 33.17 3knj s ARG 18 CO 0.35 0.44 0.04 0.00 -2.50 0.00 0.00 175.30 173.63 3knj s ALA 19 N -1.04 1.10 0.01 6.12 0.00 -0.73 0.12 121.76 127.33 3knj s ALA 19 Ca 0.12 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 3knj s ALA 19 Cb -0.10 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3knj s ALA 19 CO 0.05 -1.24 0.17 0.71 0.00 0.00 0.00 175.76 175.45 3knj s TYR 20 N 1.82 3.50 -0.11 0.00 1.51 0.14 -1.09 117.35 123.11 3knj s TYR 20 Ca 0.00 0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 56.37 3knj s TYR 20 Cb -0.17 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 3knj s TYR 20 CO -0.11 0.62 -0.06 0.42 -1.11 0.00 0.00 175.55 175.32 3knj s ILE 21 N -1.35 0.93 -0.41 2.71 1.09 0.34 -0.72 121.20 123.79 3knj s ILE 21 Ca 0.28 -0.27 -0.13 0.00 -1.10 0.00 0.00 60.65 59.43 3knj s ILE 21 Cb -0.13 -1.00 0.04 0.00 -1.06 0.00 0.00 42.46 40.31 3knj s ILE 21 CO 0.20 0.32 0.28 -2.28 -0.10 0.00 0.00 174.94 173.36 3knj s HIS 22 N 1.74 3.25 -0.32 3.97 2.46 0.22 -2.43 115.29 124.18 3knj s HIS 22 Ca 0.04 -0.89 -0.05 0.00 0.47 0.00 0.00 55.06 54.63 3knj s HIS 22 Cb -0.13 -2.69 0.04 0.00 -0.13 0.00 0.00 32.58 29.67 3knj s HIS 22 CO -0.08 -0.68 0.07 0.00 -2.47 0.00 0.00 174.74 171.58 3knj s ALA 23 N 1.60 2.98 0.00 1.58 0.00 -1.20 -0.52 121.76 126.20 3knj s ALA 23 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3knj s ALA 23 Cb -0.21 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3knj s ALA 23 CO 0.07 -1.24 0.00 0.45 0.00 0.00 0.00 175.76 175.04 3knj n SER 24 N 4.77 0.00 -0.01 0.00 2.88 -0.57 -4.19 113.62 116.50 3knj n SER 24 Ca -0.13 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.40 3knj n SER 24 Cb 0.45 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 3knj n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3knj n TYR 25 N 0.00 0.00 0.75 0.66 4.02 -1.26 -3.78 117.16 117.55 3knj n TYR 25 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 3knj n TYR 25 Cb 0.00 -0.08 0.18 0.00 -0.02 0.00 0.00 39.34 39.42 3knj n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3knj n ASN 26 N -2.06 0.60 -3.65 7.72 3.02 -1.26 -4.51 115.26 115.12 3knj n ASN 26 Ca -0.03 -0.08 -0.01 0.00 -0.03 0.00 0.00 54.58 54.44 3knj n ASN 26 Cb 0.55 0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 40.02 3knj n ASN 26 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3knj s ASN 27 N -3.67 -0.08 0.04 6.41 2.47 -1.26 -1.58 114.94 117.27 3knj s ASN 27 Ca 0.08 -0.31 0.05 0.00 0.42 0.00 0.00 52.86 53.10 3knj s ASN 27 Cb 0.15 0.32 -0.02 0.00 -1.45 0.00 0.00 41.25 40.25 3knj s ASN 27 CO 0.72 -0.60 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.48 3knj s THR 28 N -2.62 1.13 -0.17 -5.21 2.01 -1.25 -1.51 115.64 108.02 3knj s THR 28 Ca 0.16 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 3knj s THR 28 Cb 0.01 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.55 3knj s THR 28 CO -0.00 0.02 0.43 -0.51 -0.69 0.00 0.00 174.62 173.87 3knj s ILE 29 N -0.83 -0.01 0.06 1.82 1.10 0.32 -2.00 121.20 121.65 3knj s ILE 29 Ca 0.02 0.04 0.07 0.00 -0.51 0.00 0.00 60.65 60.27 3knj s ILE 29 Cb -0.08 -0.61 -0.03 0.00 0.15 0.00 0.00 42.46 41.89 3knj s ILE 29 CO 0.01 0.02 -0.19 0.68 -2.11 0.00 0.00 174.94 173.35 3knj s VAL 30 N 0.78 1.49 -0.06 4.00 -7.23 0.98 0.69 120.40 121.04 3knj s VAL 30 Ca -0.04 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 58.87 3knj s VAL 30 Cb -0.05 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.59 3knj s VAL 30 CO -0.06 0.06 0.12 0.28 -0.31 0.00 0.00 175.10 175.20 3knj s THR 31 N -0.93 -0.12 -0.11 5.32 -1.32 0.10 -0.04 115.64 118.54 3knj s THR 31 Ca 0.05 0.26 -0.10 0.00 -1.21 0.00 0.00 61.69 60.69 3knj s THR 31 Cb -0.09 -0.22 -0.05 0.00 -1.51 0.00 0.00 72.50 70.63 3knj s THR 31 CO 0.02 0.11 0.21 0.27 -2.21 0.00 0.00 174.62 173.02 3knj s ILE 32 N 1.58 5.37 0.03 5.08 -4.36 -0.82 -0.68 121.20 127.39 3knj s ILE 32 Ca -0.04 0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.73 3knj s ILE 32 Cb -0.12 -3.50 -0.00 0.00 1.25 0.00 0.00 42.46 40.09 3knj s ILE 32 CO -0.05 0.56 0.00 0.35 0.24 0.00 0.00 174.94 176.03 3knj n THR 33 N 2.38 0.00 -3.16 8.37 -2.24 0.33 -1.31 114.28 118.65 3knj n THR 33 Ca -0.17 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3knj n THR 33 Cb 0.54 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3knj n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3knj n ASP 34 N -1.11 0.63 0.00 3.42 3.85 -1.06 -0.58 116.55 121.70 3knj n ASP 34 Ca -0.01 -0.84 0.05 0.00 -0.71 0.00 0.00 54.79 53.28 3knj n ASP 34 Cb 0.03 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.09 3knj n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3knj n PRO 35 N -0.58 0.29 -2.06 0.11 -0.02 -1.24 -2.99 135.00 128.50 3knj n PRO 35 Ca 0.00 0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.46 3knj n PRO 35 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3knj n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knj n ASP 36 N -1.02 2.24 0.00 2.55 10.43 -1.26 -5.01 116.55 124.48 3knj n ASP 36 Ca 0.07 -2.66 0.00 0.00 2.57 0.00 0.00 54.79 54.77 3knj n ASP 36 Cb 0.04 -0.41 0.00 0.00 1.84 0.00 0.00 41.12 42.58 3knj n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3knj n GLY 37 N -0.44 1.15 3.67 0.44 0.00 -1.16 -4.95 105.19 103.89 3knj n GLY 37 Ca 0.17 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.66 3knj n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knj n ASN 38 N 1.06 2.82 -4.35 1.61 3.02 -1.26 -4.45 115.26 113.70 3knj n ASN 38 Ca 0.00 0.95 -0.41 0.00 -0.03 0.00 0.00 54.58 55.09 3knj n ASN 38 Cb 0.00 -1.26 0.01 0.00 -0.61 0.00 0.00 39.78 37.92 3knj n ASN 38 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3knj n PRO 39 N 6.31 0.21 0.01 3.52 -0.02 -1.26 -2.55 135.00 141.23 3knj n PRO 39 Ca 0.27 0.08 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 3knj n PRO 39 Cb 0.21 -1.23 -0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3knj n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3knj n ILE 40 N -1.18 0.81 -3.92 4.25 2.08 -0.42 -4.82 119.36 116.16 3knj n ILE 40 Ca 0.11 0.26 -0.10 0.00 0.56 0.00 0.00 62.75 63.58 3knj n ILE 40 Cb 0.42 -1.52 -0.01 0.00 -0.75 0.00 0.00 39.64 37.79 3knj n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3knj s THR 41 N -1.75 0.00 0.33 1.39 -1.32 -1.23 -5.07 115.64 108.00 3knj s THR 41 Ca -0.04 -1.21 -0.04 0.00 -1.21 0.00 0.00 61.69 59.19 3knj s THR 41 Cb 0.01 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 3knj s THR 41 CO 0.06 0.00 0.48 -1.66 -2.21 0.00 0.00 174.62 171.29 3knj s TRP 42 N -3.01 0.99 -0.11 9.09 1.48 -1.26 -1.94 118.94 124.17 3knj s TRP 42 Ca 0.20 -1.24 -0.29 0.00 -1.06 0.00 0.00 56.10 53.70 3knj s TRP 42 Cb -0.03 -0.05 0.07 0.00 -1.16 0.00 0.00 33.47 32.30 3knj s TRP 42 CO 0.13 -1.13 0.69 0.45 -4.06 0.00 0.00 176.95 173.03 3knj s SER 43 N -3.21 -0.68 0.20 -2.66 0.15 0.94 -4.71 113.70 103.73 3knj s SER 43 Ca 0.30 0.92 0.02 0.00 0.70 0.00 0.00 55.95 57.89 3knj s SER 43 Cb -0.00 0.80 -0.05 0.00 -1.71 0.00 0.00 66.02 65.06 3knj s SER 43 CO 0.19 -0.51 0.02 -0.94 1.20 0.00 0.00 173.24 173.20 3knj s SER 44 N -0.75 1.34 0.55 5.45 1.04 -1.26 -0.02 113.70 120.05 3knj s SER 44 Ca -0.08 -1.23 0.32 0.00 0.48 0.00 0.00 55.95 55.45 3knj s SER 44 Cb -0.01 0.11 1.56 0.00 0.10 0.00 0.00 66.02 67.77 3knj s SER 44 CO 0.07 -0.59 2.08 1.23 0.98 0.00 0.00 173.24 177.01 3knj h GLY 45 N 2.58 0.00 0.67 7.32 0.00 -1.67 -1.99 103.07 109.98 3knj h GLY 45 Ca -0.37 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 3knj h GLY 45 CO 0.63 0.00 -0.78 -1.33 0.00 0.00 0.00 176.54 175.05 3knj h GLY 46 N 1.21 0.34 1.96 4.60 0.00 -1.84 -3.24 103.07 106.10 3knj h GLY 46 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 3knj h GLY 46 CO 0.01 0.74 0.00 -2.08 0.00 0.00 0.00 176.54 175.22 3knj h VAL 47 N -0.39 1.03 -3.99 4.60 2.07 -1.73 -3.36 116.25 114.49 3knj h VAL 47 Ca -0.14 -0.09 -0.47 0.00 0.82 0.00 0.00 66.70 66.82 3knj h VAL 47 Cb 1.62 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3knj h VAL 47 CO 0.15 0.03 0.39 -0.63 0.02 0.00 0.00 177.57 177.52 3knj s ILE 48 N -5.06 3.92 -0.81 4.57 -1.09 -0.78 -4.84 121.20 117.11 3knj s ILE 48 Ca -0.05 1.39 -0.20 0.00 -2.23 0.00 0.00 60.65 59.56 3knj s ILE 48 Cb 0.17 -3.68 -0.19 0.00 -1.58 0.00 0.00 42.46 37.18 3knj s ILE 48 CO 0.68 -0.07 2.11 0.61 -1.23 0.00 0.00 174.94 177.04 3knj n GLY 49 N 0.11 -0.29 0.00 6.18 0.00 -1.26 -4.67 105.19 105.27 3knj n GLY 49 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3knj n GLY 49 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knj n TYR 50 N 14.77 0.00 -4.21 1.61 0.53 -1.25 -5.07 117.16 123.54 3knj n TYR 50 Ca 0.44 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 57.17 3knj n TYR 50 Cb 0.39 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.60 3knj n TYR 50 CO 0.00 0.00 0.00 -1.59 -1.02 0.00 0.00 176.86 174.25 3knj s LYS 51 N 0.00 0.94 2.78 -0.72 0.00 -1.26 -3.56 119.74 117.91 3knj s LYS 51 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 55.97 54.70 3knj s LYS 51 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 37.83 37.21 3knj s LYS 51 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.85 3knj n GLY 52 N 0.31 0.43 0.47 0.59 0.00 -1.26 -4.25 105.19 101.49 3knj n GLY 52 Ca -0.14 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 3knj n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3knj h SER 53 N 6.37 -1.47 -1.17 1.61 4.64 -1.98 -0.22 113.55 121.33 3knj h SER 53 Ca 0.00 0.15 0.34 0.00 -0.47 0.00 0.00 61.79 61.81 3knj h SER 53 Cb 0.00 0.54 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3knj h SER 53 CO 0.00 -0.57 1.20 0.03 -0.87 0.00 0.00 176.83 176.62 3knj h ARG 54 N -0.78 0.00 -0.90 4.77 3.08 -1.91 -0.24 114.38 118.40 3knj h ARG 54 Ca -0.01 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.29 3knj h ARG 54 Cb 0.77 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.66 3knj h ARG 54 CO -0.24 0.00 0.16 0.87 -1.07 0.00 0.00 179.97 179.69 3knj h LYS 55 N 0.00 0.12 -1.00 0.04 1.57 -1.22 0.12 116.57 116.20 3knj h LYS 55 Ca 0.55 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 59.22 3knj h LYS 55 Cb 2.95 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 35.17 3knj h LYS 55 CO -0.01 0.08 0.14 0.41 -0.57 0.00 0.00 179.45 179.50 3knj n GLY 56 N -1.41 2.51 3.78 3.86 0.00 -0.10 -3.85 105.19 109.97 3knj n GLY 56 Ca 0.22 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3knj n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knj s THR 57 N -0.73 4.35 0.08 2.61 2.01 0.42 -4.47 115.64 119.91 3knj s THR 57 Ca 0.12 1.68 -0.21 0.00 0.31 0.00 0.00 61.69 63.59 3knj s THR 57 Cb 0.10 -4.07 -0.11 0.00 0.01 0.00 0.00 72.50 68.43 3knj s THR 57 CO 0.02 0.38 1.63 1.55 -0.69 0.00 0.00 174.62 177.51 3knj h PRO 58 N 3.88 0.21 -0.59 4.92 0.13 -1.86 0.37 132.00 139.06 3knj h PRO 58 Ca -0.47 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3knj h PRO 58 Cb 1.20 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3knj h PRO 58 CO 0.66 0.30 0.37 -0.92 -0.23 0.00 0.00 178.00 178.17 3knj h TYR 59 N 0.08 0.77 0.22 1.56 3.20 -1.95 -0.65 116.97 120.20 3knj h TYR 59 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3knj h TYR 59 Cb 0.16 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3knj h TYR 59 CO -0.02 0.52 -0.23 0.00 -1.64 0.00 0.00 178.16 176.79 3knj h ALA 60 N 1.19 -0.92 -0.88 1.82 0.00 -1.82 0.31 119.26 118.96 3knj h ALA 60 Ca 0.21 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.21 3knj h ALA 60 Cb -0.04 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 3knj h ALA 60 CO -0.04 -0.94 -0.23 0.00 0.00 0.00 0.00 179.25 178.04 3knj n ALA 61 N -2.51 0.18 0.07 0.00 0.00 0.13 0.19 120.51 118.57 3knj n ALA 61 Ca -0.05 0.95 -0.16 0.00 0.00 0.00 0.00 53.44 54.18 3knj n ALA 61 Cb 0.20 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.00 3knj n ALA 61 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3knj h GLN 62 N 0.00 -0.65 -1.04 0.00 4.15 -0.12 -1.81 115.11 115.64 3knj h GLN 62 Ca 0.41 0.04 0.27 0.00 0.77 0.00 0.00 58.65 60.14 3knj h GLN 62 Cb 0.63 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 28.35 3knj h GLN 62 CO -0.90 -0.43 0.65 -0.07 -1.93 0.00 0.00 178.83 176.15 3knj h LEU 63 N -0.67 0.52 -0.25 -2.39 3.38 0.59 -0.45 115.31 116.03 3knj h LEU 63 Ca 0.01 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3knj h LEU 63 Cb 0.71 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3knj h LEU 63 CO -0.33 0.06 -0.16 0.00 0.09 0.00 0.00 178.44 178.10 3knj h ALA 64 N 1.67 0.35 -0.02 1.53 0.00 -0.36 -0.35 119.26 122.08 3knj h ALA 64 Ca 0.63 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3knj h ALA 64 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3knj h ALA 64 CO -0.38 0.25 -0.04 0.00 0.00 0.00 0.00 179.25 179.08 3knj h ALA 65 N 0.71 -0.03 -0.92 0.00 0.00 -0.47 0.42 119.26 118.97 3knj h ALA 65 Ca 0.05 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.16 3knj h ALA 65 Cb 0.69 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 3knj h ALA 65 CO 0.04 -0.53 0.48 -0.07 0.00 0.00 0.00 179.25 179.18 3knj h LEU 66 N -0.07 0.54 0.07 0.00 3.38 -1.04 -2.08 115.31 116.11 3knj h LEU 66 Ca 0.02 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3knj h LEU 66 Cb 0.10 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3knj h LEU 66 CO -0.06 0.15 -0.03 -0.78 0.09 0.00 0.00 178.44 177.80 3knj h ASP 67 N 0.58 -0.08 -0.32 -0.43 -0.00 0.11 -1.57 116.42 114.71 3knj h ASP 67 Ca 0.54 0.00 0.03 0.00 -0.00 0.00 0.00 57.03 57.61 3knj h ASP 67 Cb 0.92 0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 40.23 3knj h ASP 67 CO -0.44 -0.05 -0.19 0.00 -0.00 0.00 0.00 179.24 178.57 3knj n ALA 68 N -2.06 -0.20 -0.26 -0.78 0.00 0.12 0.67 120.51 118.00 3knj n ALA 68 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 3knj n ALA 68 Cb 0.04 0.20 0.03 0.00 0.00 0.00 0.00 19.45 19.72 3knj n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knj h ALA 69 N -0.32 0.12 -0.33 0.00 0.00 -1.49 0.75 119.26 117.99 3knj h ALA 69 Ca 0.05 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3knj h ALA 69 Cb 0.13 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3knj h ALA 69 CO -0.30 -0.61 -0.35 -0.22 0.00 0.00 0.00 179.25 177.77 3knj h LYS 70 N -0.09 -0.30 0.00 0.00 3.64 0.13 0.83 116.57 120.78 3knj h LYS 70 Ca 0.29 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3knj h LYS 70 Cb 0.57 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3knj h LYS 70 CO -0.78 -0.20 0.00 1.63 -2.27 0.00 0.00 179.45 177.83 3knj n LYS 71 N -5.42 0.21 -0.04 1.90 5.02 0.22 -3.10 118.16 116.96 3knj n LYS 71 Ca -0.01 0.14 -0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3knj n LYS 71 Cb 0.34 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 3knj n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knj n ALA 72 N -1.31 2.07 0.58 7.82 0.00 0.11 -4.25 120.51 125.54 3knj n ALA 72 Ca 0.07 -0.59 0.08 0.00 0.00 0.00 0.00 53.44 53.01 3knj n ALA 72 Cb 0.14 -0.23 0.35 0.00 0.00 0.00 0.00 19.45 19.71 3knj n ALA 72 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3knj n MET 73 N -2.23 0.03 -0.03 0.00 2.81 0.14 0.14 117.12 117.97 3knj n MET 73 Ca -0.12 0.21 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 3knj n MET 73 Cb 0.64 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.57 3knj n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3knj h ALA 74 N 2.58 -0.06 0.00 3.04 0.00 -1.74 -2.55 119.26 120.54 3knj h ALA 74 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3knj h ALA 74 Cb 0.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3knj h ALA 74 CO 0.00 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.82 3knj n TYR 75 N -4.74 0.00 -1.82 0.00 4.02 -0.69 -4.74 117.16 109.19 3knj n TYR 75 Ca -0.07 -0.39 -0.13 0.00 -0.01 0.00 0.00 57.90 57.30 3knj n TYR 75 Cb 0.31 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 3knj n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knj n GLY 76 N 0.66 0.48 3.10 2.72 0.00 -0.93 -3.65 105.19 107.58 3knj n GLY 76 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3knj n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3knj n MET 77 N -2.24 -0.08 0.03 1.61 1.56 0.37 -4.35 117.12 114.02 3knj n MET 77 Ca -0.14 -0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.28 3knj n MET 77 Cb 0.50 -1.21 0.00 0.00 2.15 0.00 0.00 33.22 34.65 3knj n MET 77 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 3knj n GLN 78 N 1.44 0.00 -4.25 2.12 1.13 -0.48 -4.67 117.38 112.66 3knj n GLN 78 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 3knj n GLN 78 Cb 0.56 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.76 3knj n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3knj s SER 79 N -2.52 3.92 -0.15 1.08 1.04 -0.64 -2.37 113.70 114.06 3knj s SER 79 Ca 0.00 -0.43 -0.00 0.00 0.48 0.00 0.00 55.95 55.99 3knj s SER 79 Cb 0.00 -1.63 0.03 0.00 0.10 0.00 0.00 66.02 64.52 3knj s SER 79 CO 0.00 0.05 -0.08 0.68 0.98 0.00 0.00 173.24 174.86 3knj s VAL 80 N 1.06 1.23 0.76 5.02 -7.23 -1.16 -1.00 120.40 119.08 3knj s VAL 80 Ca -0.00 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.48 3knj s VAL 80 Cb -0.15 -1.30 0.05 0.00 0.56 0.00 0.00 36.38 35.55 3knj s VAL 80 CO -0.02 0.26 1.11 -1.81 -0.31 0.00 0.00 175.10 174.33 3knj s ASP 81 N 1.60 4.43 0.08 4.85 1.01 -1.24 -2.56 116.67 124.84 3knj s ASP 81 Ca 0.02 1.95 0.08 0.00 0.71 0.00 0.00 52.55 55.31 3knj s ASP 81 Cb -0.14 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.22 3knj s ASP 81 CO -0.08 -2.09 -0.21 -0.69 0.21 0.00 0.00 175.17 172.30 3knj s VAL 82 N -2.67 1.71 -0.04 -1.27 1.01 -0.61 -1.78 120.40 116.75 3knj s VAL 82 Ca 0.64 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3knj s VAL 82 Cb -0.19 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.69 3knj s VAL 82 CO 0.52 0.06 0.06 -0.63 0.00 0.00 0.00 175.10 175.11 3knj s ILE 83 N -1.00 -0.10 0.01 2.22 1.01 -0.25 -1.34 121.20 121.75 3knj s ILE 83 Ca 0.07 0.34 0.06 0.00 0.00 0.00 0.00 60.65 61.12 3knj s ILE 83 Cb -0.09 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 3knj s ILE 83 CO 0.03 0.14 -0.18 0.68 0.00 0.00 0.00 174.94 175.61 3knj s VAL 84 N 1.73 2.78 -0.12 2.92 -7.23 -1.23 0.13 120.40 119.38 3knj s VAL 84 Ca -0.01 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 3knj s VAL 84 Cb -0.12 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.72 3knj s VAL 84 CO -0.03 0.42 -0.01 -0.13 -0.31 0.00 0.00 175.10 175.04 3knj s ARG 85 N -1.18 0.85 0.00 4.82 0.52 -1.02 -2.32 118.95 120.62 3knj s ARG 85 Ca 0.13 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3knj s ARG 85 Cb -0.10 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.90 3knj s ARG 85 CO 0.03 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.37 3knj n GLY 86 N 5.06 0.27 0.00 -3.53 0.00 -1.26 -3.24 105.19 102.49 3knj n GLY 86 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3knj n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3knj n THR 87 N 0.96 0.00 0.00 2.61 -1.04 -1.26 -4.49 114.28 111.06 3knj n THR 87 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knj n THR 87 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3knj n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knj n GLY 88 N 0.00 4.20 2.24 3.41 0.00 -1.26 -4.20 105.19 109.58 3knj n GLY 88 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 3knj n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj n ALA 89 N -0.76 3.78 0.00 4.61 0.00 -1.25 -1.12 120.51 125.77 3knj n ALA 89 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3knj n ALA 89 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.17 3knj n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knj n GLY 90 N 2.74 -0.05 0.25 0.00 0.00 -1.26 -2.89 105.19 103.98 3knj n GLY 90 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 3knj n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3knj h ARG 91 N 0.00 -0.50 0.00 1.61 2.43 -1.41 -2.99 114.38 113.53 3knj h ARG 91 Ca 0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3knj h ARG 91 Cb 0.00 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3knj h ARG 91 CO 0.00 -0.33 -0.06 1.49 -1.51 0.00 0.00 179.97 179.56 3knj h GLU 92 N -0.51 0.00 -0.41 0.20 4.57 -1.96 -3.05 114.58 113.41 3knj h GLU 92 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3knj h GLU 92 Cb 0.44 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3knj h GLU 92 CO -0.02 0.06 0.20 1.96 -1.18 0.00 0.00 179.01 180.02 3knj h GLN 93 N 0.00 0.58 -0.35 1.92 1.08 -1.86 -2.85 115.11 113.64 3knj h GLN 93 Ca -0.00 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 3knj h GLN 93 Cb 0.15 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3knj h GLN 93 CO 0.01 0.51 0.19 0.00 -0.95 0.00 0.00 178.83 178.59 3knj h ALA 94 N 1.05 1.69 0.26 3.87 0.00 -1.50 -2.58 119.26 122.05 3knj h ALA 94 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3knj h ALA 94 Cb 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3knj h ALA 94 CO -0.02 0.26 -0.41 0.82 0.00 0.00 0.00 179.25 179.91 3knj h ILE 95 N 0.48 0.18 0.00 0.00 1.08 -1.60 -2.57 117.51 115.07 3knj h ILE 95 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3knj h ILE 95 Cb 0.01 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3knj h ILE 95 CO -0.02 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 177.98 3knj n ARG 96 N -5.48 0.03 0.13 2.37 1.74 -1.06 -2.07 116.66 112.32 3knj n ARG 96 Ca -0.09 0.14 0.08 0.00 -0.77 0.00 0.00 57.85 57.21 3knj n ARG 96 Cb 0.39 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.37 3knj n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knj h ALA 97 N 2.74 0.71 0.00 7.54 0.00 -1.12 -3.17 119.26 125.95 3knj h ALA 97 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3knj h ALA 97 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3knj h ALA 97 CO 0.00 0.29 -1.13 1.28 0.00 0.00 0.00 179.25 179.69 3knj n LEU 98 N -2.95 0.64 0.00 0.00 4.77 -0.88 -3.91 117.00 114.67 3knj n LEU 98 Ca -0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3knj n LEU 98 Cb 0.63 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3knj n LEU 98 CO 0.39 -0.08 0.34 0.00 -1.33 0.00 0.00 177.39 176.70 3knj n GLN 99 N -2.36 0.00 -2.78 3.23 1.13 -0.94 -3.58 117.38 112.08 3knj n GLN 99 Ca 0.00 0.27 -0.43 0.00 -1.94 0.00 0.00 57.00 54.90 3knj n GLN 99 Cb 0.51 -1.21 -0.02 0.00 0.11 0.00 0.00 30.24 29.63 3knj n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3knj s ALA 100 N -2.64 3.16 0.00 -1.58 0.00 -1.24 -4.52 121.76 114.95 3knj s ALA 100 Ca 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 51.96 49.36 3knj s ALA 100 Cb 0.00 -4.25 0.03 0.00 0.00 0.00 0.00 23.12 18.90 3knj s ALA 100 CO 0.00 -3.21 1.01 -1.13 0.00 0.00 0.00 175.76 172.42 3knj n SER 101 N 7.42 0.08 0.00 0.00 3.41 -1.23 -4.78 113.62 118.52 3knj n SER 101 Ca 0.29 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 3knj n SER 101 Cb 0.49 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3knj n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knj n GLY 102 N 0.04 1.77 3.93 5.00 0.00 -1.26 -4.84 105.19 109.83 3knj n GLY 102 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3knj n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knj s LEU 103 N 0.00 4.26 0.07 0.99 1.98 -1.26 -5.08 118.68 119.64 3knj s LEU 103 Ca 0.00 0.09 0.01 0.00 -2.89 0.00 0.00 54.13 51.34 3knj s LEU 103 Cb 0.00 -2.82 -0.04 0.00 0.66 0.00 0.00 46.19 43.99 3knj s LEU 103 CO 0.00 0.01 0.16 -1.58 -1.89 0.00 0.00 176.35 173.06 3knj s GLN 104 N -3.47 3.25 -0.72 1.98 0.74 -1.00 -4.70 119.66 115.74 3knj s GLN 104 Ca 0.34 -0.52 -0.12 0.00 0.05 0.00 0.00 55.36 55.11 3knj s GLN 104 Cb -0.10 -2.93 0.19 0.00 1.10 0.00 0.00 33.01 31.26 3knj s GLN 104 CO 0.28 0.60 0.64 0.14 -0.55 0.00 0.00 175.29 176.39 3knj s VAL 105 N -1.46 5.08 0.15 1.34 -7.23 -1.26 -2.97 120.40 114.04 3knj s VAL 105 Ca 0.33 -2.39 -0.19 0.00 -1.81 0.00 0.00 61.98 57.91 3knj s VAL 105 Cb -0.13 -4.19 0.04 0.00 0.56 0.00 0.00 36.38 32.66 3knj s VAL 105 CO 0.26 -0.96 1.67 0.50 -0.31 0.00 0.00 175.10 176.26 3knj h LYS 106 N 7.82 -0.07 0.00 4.82 3.64 -1.84 -3.47 116.57 127.46 3knj h LYS 106 Ca 0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3knj h LYS 106 Cb 1.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3knj h LYS 106 CO 0.79 -0.05 0.22 0.45 -2.27 0.00 0.00 179.45 178.59 3knj n SER 107 N -5.30 -0.84 -3.82 4.20 2.88 -1.26 -4.96 113.62 104.52 3knj n SER 107 Ca -0.00 -1.50 -0.12 0.00 -1.33 0.00 0.00 58.87 55.92 3knj n SER 107 Cb 0.21 1.38 -0.13 0.00 -0.75 0.00 0.00 64.21 64.93 3knj n SER 107 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3knj s ILE 108 N -2.43 -0.00 0.31 2.46 1.01 -1.26 -1.58 121.20 119.72 3knj s ILE 108 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3knj s ILE 108 Cb -0.02 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 3knj s ILE 108 CO 0.03 0.00 0.15 -0.69 0.00 0.00 0.00 174.94 174.44 3knj s VAL 109 N 0.08 0.39 -0.28 2.92 1.01 -0.45 -4.93 120.40 119.13 3knj s VAL 109 Ca -0.00 -2.00 -0.00 0.00 0.00 0.00 0.00 61.98 59.98 3knj s VAL 109 Cb -0.01 -2.51 0.18 0.00 0.00 0.00 0.00 36.38 34.03 3knj s VAL 109 CO 0.00 0.00 0.53 -0.62 0.00 0.00 0.00 175.10 175.02 3knj s ASP 110 N -3.40 -0.92 -0.67 3.32 2.15 -1.26 -3.51 116.67 112.38 3knj s ASP 110 Ca 0.35 0.56 0.05 0.00 0.43 0.00 0.00 52.55 53.94 3knj s ASP 110 Cb 0.05 1.84 0.23 0.00 -0.30 0.00 0.00 42.92 44.74 3knj s ASP 110 CO 0.17 -0.28 0.71 -0.67 -0.17 0.00 0.00 175.17 174.93 3knj n ASP 111 N 5.41 3.68 -4.56 -0.34 4.64 -0.98 -4.98 116.55 119.42 3knj n ASP 111 Ca -0.01 -3.40 -0.40 0.00 -1.38 0.00 0.00 54.79 49.61 3knj n ASP 111 Cb 0.51 -0.71 -0.03 0.00 -1.04 0.00 0.00 41.12 39.86 3knj n ASP 111 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3knj s THR 112 N -2.27 3.43 -0.22 5.18 2.01 -1.26 -4.63 115.64 117.88 3knj s THR 112 Ca 0.36 0.31 -0.42 0.00 0.31 0.00 0.00 61.69 62.25 3knj s THR 112 Cb 0.10 -3.95 -0.19 0.00 0.01 0.00 0.00 72.50 68.47 3knj s THR 112 CO -0.04 -0.86 1.37 -0.81 -0.69 0.00 0.00 174.62 173.59 3knj n PRO 113 N 8.99 0.22 -3.67 4.92 -0.04 -1.26 -4.87 135.00 139.29 3knj n PRO 113 Ca 0.20 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.55 3knj n PRO 113 Cb 0.51 -1.61 -0.17 0.00 -0.04 0.00 0.00 33.50 32.19 3knj n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knj s VAL 114 N 1.57 -0.16 0.12 0.52 0.11 -1.26 -5.01 120.40 116.29 3knj s VAL 114 Ca 0.97 0.41 -0.28 0.00 -2.93 0.00 0.00 61.98 60.14 3knj s VAL 114 Cb -1.31 -0.20 -0.06 0.00 -1.53 0.00 0.00 36.38 33.28 3knj s VAL 114 CO 0.67 0.17 0.90 -2.16 -3.33 0.00 0.00 175.10 171.35 3knj s PRO 115 N 2.21 4.66 0.00 1.54 0.04 -1.26 -4.93 135.00 137.27 3knj s PRO 115 Ca 0.04 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 3knj s PRO 115 Cb -0.12 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3knj s PRO 115 CO -0.04 0.30 1.93 0.72 0.04 0.00 0.00 177.00 179.96 3knj n HIS 116 N 2.50 0.00 -1.55 0.56 8.25 -1.26 -4.49 115.22 119.24 3knj n HIS 116 Ca -0.00 -0.90 -0.00 0.00 -0.26 0.00 0.00 57.72 56.56 3knj n HIS 116 Cb 0.49 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3knj n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3knj n ASN 117 N 1.82 -2.16 -0.03 0.41 5.03 -1.26 -5.08 115.26 114.00 3knj n ASN 117 Ca 0.08 -0.01 -0.00 0.00 0.87 0.00 0.00 54.58 55.52 3knj n ASN 117 Cb 0.48 -0.96 -0.00 0.00 -1.02 0.00 0.00 39.78 38.28 3knj n ASN 117 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3knj h GLY 118 N -0.00 0.00 -3.46 7.41 0.00 -2.00 -3.49 103.07 101.54 3knj h GLY 118 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 3knj h GLY 118 CO 0.01 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.81 3knj s ARG 120 N -2.92 3.98 0.85 0.00 3.52 -1.26 -4.97 118.95 118.14 3knj s ARG 120 Ca 0.10 2.10 -0.11 0.00 -0.13 0.00 0.00 55.73 57.68 3knj s ARG 120 Cb -0.03 -4.06 0.10 0.00 -1.56 0.00 0.00 34.95 29.40 3knj s ARG 120 CO 0.02 -1.10 1.09 -2.14 -0.81 0.00 0.00 175.30 172.37 3knj s PRO 121 N 4.48 1.65 0.34 5.12 0.02 -1.26 -4.94 135.00 140.41 3knj s PRO 121 Ca 0.78 0.91 -0.27 0.00 0.02 0.00 0.00 61.00 62.43 3knj s PRO 121 Cb -0.32 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.22 3knj s PRO 121 CO 0.32 -1.99 1.17 1.63 -0.33 0.00 0.00 177.00 177.79 3knj n LYS 122 N -3.73 1.78 -0.23 5.54 5.02 -1.26 -4.60 118.16 120.68 3knj n LYS 122 Ca 0.08 0.63 0.17 0.00 -2.02 0.00 0.00 58.31 57.16 3knj n LYS 122 Cb 0.55 -2.15 0.32 0.00 -0.02 0.00 0.00 35.03 33.73 3knj n LYS 122 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3knj n LYS 123 N 0.51 -0.05 0.08 1.97 4.81 -1.26 -0.64 118.16 123.58 3knj n LYS 123 Ca 0.07 1.01 -0.16 0.00 -0.87 0.00 0.00 58.31 58.36 3knj n LYS 123 Cb 0.35 -1.72 -0.09 0.00 0.02 0.00 0.00 35.03 33.59 3knj n LYS 123 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3knj h LYS 124 N 0.00 -0.67 0.00 1.64 3.64 -2.03 0.80 116.57 119.95 3knj h LYS 124 Ca 0.52 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 3knj h LYS 124 Cb 1.26 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 3knj h LYS 124 CO -0.60 -0.45 0.00 1.19 -2.27 0.00 0.00 179.45 177.33 3knj n PHE 125 N -5.47 0.00 0.97 1.91 3.01 0.18 -2.45 117.46 115.61 3knj n PHE 125 Ca -0.08 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.40 3knj n PHE 125 Cb 0.40 -0.24 0.07 0.00 -0.01 0.00 0.00 39.48 39.69 3knj n PHE 125 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3knj n ARG 126 N -1.24 1.55 -0.43 -1.08 1.74 0.28 -4.14 116.66 113.34 3knj n ARG 126 Ca 0.04 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 3knj n ARG 126 Cb 0.05 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3knj n ARG 126 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knj n LYS 127 N 0.03 0.95 -3.83 5.56 4.76 -1.03 -4.53 118.16 120.08 3knj n LYS 127 Ca 0.05 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.39 3knj n LYS 127 Cb 0.32 -1.02 -0.07 0.00 -1.84 0.00 0.00 35.03 32.41 3knj n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3knj s ALA 128 N 0.09 -0.34 0.00 7.82 0.00 -1.26 -5.21 121.76 122.87 3knj s ALA 128 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3knj s ALA 128 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3knj s ALA 128 CO 0.00 -0.56 0.09 0.45 0.00 0.00 0.00 175.76 175.74