#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s ILE 2 N 0.00 2.02 0.13 3.17 -1.09 0.12 -4.68 121.20 120.87 3knk s ILE 2 Ca 0.00 0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.38 3knk s ILE 2 Cb 0.00 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.85 3knk s ILE 2 CO 0.00 0.00 0.19 0.00 -1.23 0.00 0.00 174.94 173.90 3knk s GLN 3 N -1.71 0.99 0.05 2.79 -2.07 -1.26 0.38 119.66 118.83 3knk s GLN 3 Ca 0.56 -1.18 -0.35 0.00 -1.82 0.00 0.00 55.36 52.56 3knk s GLN 3 Cb -0.47 0.33 -0.15 0.00 -1.09 0.00 0.00 33.01 31.63 3knk s GLN 3 CO 0.60 -0.33 1.57 -0.35 -1.32 0.00 0.00 175.29 175.46 3knk n PRO 4 N -0.13 1.73 -0.11 9.60 -0.04 -1.26 -0.39 135.00 144.41 3knk n PRO 4 Ca -0.09 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 3knk n PRO 4 Cb 0.63 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3knk n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3knk n GLN 5 N 3.87 0.00 0.00 0.54 -0.06 0.51 -4.99 117.38 117.26 3knk n GLN 5 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.19 3knk n GLN 5 Cb 0.24 -0.27 0.00 0.00 -4.06 0.00 0.00 30.24 26.16 3knk n GLN 5 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 3knk n THR 6 N -2.00 0.00 0.00 1.69 -1.04 0.47 -4.77 114.28 108.63 3knk n THR 6 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knk n THR 6 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3knk n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knk n TYR 7 N 0.00 0.00 -2.10 -1.42 9.36 -1.26 -4.33 117.16 117.41 3knk n TYR 7 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 3knk n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3knk n TYR 7 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3knk s LEU 8 N 0.00 4.04 0.24 2.98 2.01 0.10 -4.83 118.68 123.23 3knk s LEU 8 Ca 0.00 2.50 -0.15 0.00 0.01 0.00 0.00 54.13 56.50 3knk s LEU 8 Cb 0.00 -4.14 -0.08 0.00 0.01 0.00 0.00 46.19 41.98 3knk s LEU 8 CO 0.00 -1.03 0.65 -0.70 1.01 0.00 0.00 176.35 176.28 3knk s GLU 9 N -2.59 4.01 -0.39 1.70 2.56 0.20 -1.47 118.70 122.72 3knk s GLU 9 Ca 0.63 0.59 -0.09 0.00 0.00 0.00 0.00 54.97 56.10 3knk s GLU 9 Cb -0.34 -2.69 0.05 0.00 2.00 0.00 0.00 34.13 33.15 3knk s GLU 9 CO 0.42 0.32 0.21 0.54 -0.56 0.00 0.00 175.26 176.18 3knk s VAL 10 N -1.73 4.28 -1.02 3.70 0.11 -1.19 0.16 120.40 124.71 3knk s VAL 10 Ca 0.46 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.35 3knk s VAL 10 Cb -0.13 -3.49 0.25 0.00 -1.53 0.00 0.00 36.38 31.47 3knk s VAL 10 CO 0.19 -0.34 2.11 0.00 -3.33 0.00 0.00 175.10 173.73 3knk n ALA 11 N 4.93 6.39 -3.00 1.54 0.00 -0.73 -4.86 120.51 124.77 3knk n ALA 11 Ca -0.11 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.09 3knk n ALA 11 Cb 0.44 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3knk n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3knk n ASP 12 N 0.43 0.00 -0.78 0.00 3.85 -1.26 -0.74 116.55 118.04 3knk n ASP 12 Ca 0.52 -0.78 0.02 0.00 -0.71 0.00 0.00 54.79 53.84 3knk n ASP 12 Cb 0.28 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.24 3knk n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3knk n ASN 13 N -1.67 2.11 0.00 -1.12 0.23 -1.26 -4.66 115.26 108.90 3knk n ASN 13 Ca 0.00 -3.89 0.00 0.00 -0.53 0.00 0.00 54.58 50.16 3knk n ASN 13 Cb 0.00 -0.51 0.01 0.00 -2.08 0.00 0.00 39.78 37.20 3knk n ASN 13 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 3knk n THR 14 N -1.07 0.00 0.00 5.53 -1.04 -1.26 -4.70 114.28 111.74 3knk n THR 14 Ca 0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3knk n THR 14 Cb 0.73 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3knk n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knk n GLY 15 N -0.65 2.14 3.74 3.41 0.00 -1.26 -2.29 105.19 110.27 3knk n GLY 15 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3knk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk s ALA 16 N -0.63 3.59 -0.15 4.61 0.00 -1.26 -1.56 121.76 126.35 3knk s ALA 16 Ca 0.00 1.20 0.14 0.00 0.00 0.00 0.00 51.96 53.30 3knk s ALA 16 Cb 0.00 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.36 3knk s ALA 16 CO 0.00 -0.63 0.25 -2.13 0.00 0.00 0.00 175.76 173.25 3knk n ARG 17 N 2.82 0.67 -4.06 0.00 3.00 -1.11 -4.82 116.66 113.17 3knk n ARG 17 Ca 0.08 0.11 -0.13 0.00 -0.00 0.00 0.00 57.85 57.91 3knk n ARG 17 Cb 0.42 -1.62 -0.11 0.00 0.00 0.00 0.00 32.46 31.15 3knk n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3knk s LYS 18 N -2.53 0.51 -0.01 -0.14 3.01 -0.25 -3.17 119.74 117.17 3knk s LYS 18 Ca -0.11 -0.73 -0.07 0.00 -1.01 0.00 0.00 55.97 54.05 3knk s LYS 18 Cb 0.07 -0.28 0.00 0.00 -1.01 0.00 0.00 37.83 36.61 3knk s LYS 18 CO 0.81 0.05 0.13 0.96 0.51 0.00 0.00 175.35 177.81 3knk s ILE 19 N -1.34 0.07 0.21 2.17 -4.36 -0.54 -3.72 121.20 113.68 3knk s ILE 19 Ca -0.10 -0.60 0.09 0.00 -0.26 0.00 0.00 60.65 59.78 3knk s ILE 19 Cb -0.10 -0.40 -0.04 0.00 1.25 0.00 0.00 42.46 43.17 3knk s ILE 19 CO 0.00 -0.33 -0.08 -0.32 0.24 0.00 0.00 174.94 174.45 3knk s MET 20 N -1.18 2.08 -0.40 0.37 -2.45 -0.43 0.03 119.30 117.31 3knk s MET 20 Ca -0.13 -1.35 -0.19 0.00 -1.25 0.00 0.00 55.69 52.78 3knk s MET 20 Cb -0.07 -2.13 0.01 0.00 1.25 0.00 0.00 34.83 33.90 3knk s MET 20 CO 0.01 0.41 0.53 0.00 1.05 0.00 0.00 175.02 177.02 3knk n ILE 22 N 5.57 1.18 -3.62 0.00 2.08 -1.26 0.19 119.36 123.51 3knk n ILE 22 Ca -0.05 -0.70 -0.08 0.00 0.56 0.00 0.00 62.75 62.49 3knk n ILE 22 Cb 0.48 -0.71 -0.06 0.00 -0.75 0.00 0.00 39.64 38.60 3knk n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3knk s ARG 23 N -2.89 0.40 -0.19 0.38 6.06 -1.26 -4.77 118.95 116.68 3knk s ARG 23 Ca -0.04 0.25 -0.14 0.00 -2.50 0.00 0.00 55.73 53.30 3knk s ARG 23 Cb 0.09 0.19 -0.04 0.00 0.06 0.00 0.00 34.95 35.25 3knk s ARG 23 CO 0.82 -0.10 0.30 0.54 -2.50 0.00 0.00 175.30 174.37 3knk s VAL 24 N -0.53 5.28 -0.46 7.11 0.11 -1.26 -0.44 120.40 130.21 3knk s VAL 24 Ca 0.03 0.54 -0.23 0.00 -2.93 0.00 0.00 61.98 59.38 3knk s VAL 24 Cb -0.03 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 31.21 3knk s VAL 24 CO -0.05 0.34 0.80 -0.76 -3.33 0.00 0.00 175.10 172.10 3knk s LEU 25 N 0.83 4.27 0.00 2.54 1.43 -0.55 -4.82 118.68 122.38 3knk s LEU 25 Ca 0.16 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3knk s LEU 25 Cb -0.14 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.16 3knk s LEU 25 CO 0.05 -0.95 0.00 0.29 0.23 0.00 0.00 176.35 175.97 3knk n LYS 26 N 6.78 0.00 -2.21 1.70 5.02 -1.26 -4.59 118.16 123.60 3knk n LYS 26 Ca 0.02 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 3knk n LYS 26 Cb 0.48 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.60 3knk n LYS 26 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3knk s GLY 27 N 0.00 1.72 0.55 0.72 0.00 -1.26 -4.90 107.32 104.15 3knk s GLY 27 Ca 0.00 -1.15 0.48 0.00 0.00 0.00 0.00 44.72 44.05 3knk s GLY 27 CO 0.00 -0.62 1.59 0.23 0.00 0.00 0.00 173.10 174.29 3knk h SER 28 N -0.85 0.02 -0.00 1.64 0.87 -2.02 -2.91 113.55 110.30 3knk h SER 28 Ca -0.43 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.00 3knk h SER 28 Cb 1.29 0.01 -0.23 0.00 -0.44 0.00 0.00 62.40 63.03 3knk h SER 28 CO 0.51 -0.02 -0.56 -0.46 -0.53 0.00 0.00 176.83 175.76 3knk n ASN 29 N -4.02 -0.27 -4.67 6.23 0.23 -1.26 -5.10 115.26 106.40 3knk n ASN 29 Ca 0.43 -2.00 -0.63 0.00 -0.53 0.00 0.00 54.58 51.85 3knk n ASN 29 Cb 1.95 0.08 -0.09 0.00 -2.08 0.00 0.00 39.78 39.64 3knk n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3knk n ALA 30 N 0.18 -1.70 0.43 -2.53 0.00 -1.10 -4.86 120.51 110.92 3knk n ALA 30 Ca -0.16 0.51 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 3knk n ALA 30 Cb 0.86 -1.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 3knk n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3knk h LYS 31 N 4.84 -1.06 -5.98 0.00 1.79 -1.98 -3.47 116.57 110.71 3knk h LYS 31 Ca -0.46 0.07 -0.55 0.00 -2.18 0.00 0.00 60.65 57.53 3knk h LYS 31 Cb 1.37 0.24 -0.24 0.00 -1.58 0.00 0.00 32.23 32.02 3knk h LYS 31 CO 0.88 -0.71 -0.83 0.71 -1.08 0.00 0.00 179.45 178.43 3knk s TYR 32 N -5.17 1.71 -0.04 -1.35 2.02 -1.26 -4.71 117.35 108.54 3knk s TYR 32 Ca -0.16 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 55.93 3knk s TYR 32 Cb 0.02 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 3knk s TYR 32 CO 0.48 0.12 0.64 0.00 -1.57 0.00 0.00 175.55 175.22 3knk s ALA 33 N -0.93 3.41 0.00 3.71 0.00 1.24 -4.91 121.76 124.27 3knk s ALA 33 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3knk s ALA 33 Cb -0.09 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3knk s ALA 33 CO 0.02 0.02 0.00 -2.37 0.00 0.00 0.00 175.76 173.43 3knk n THR 34 N 3.31 0.00 -3.60 0.00 5.66 -1.26 0.10 114.28 118.49 3knk n THR 34 Ca -0.04 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.60 3knk n THR 34 Cb 0.51 -0.01 -0.06 0.00 -1.55 0.00 0.00 70.33 69.23 3knk n THR 34 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3knk s VAL 35 N 2.62 5.13 -0.44 1.08 1.01 -1.26 -4.30 120.40 124.25 3knk s VAL 35 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3knk s VAL 35 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3knk s VAL 35 CO 0.00 0.40 0.38 0.61 0.00 0.00 0.00 175.10 176.49 3knk n GLY 36 N 1.25 0.34 3.24 4.51 0.00 0.39 -4.89 105.19 110.05 3knk n GLY 36 Ca -0.11 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 3knk n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knk s ASP 37 N -3.24 1.47 -0.07 1.61 1.01 -1.25 -4.86 116.67 111.34 3knk s ASP 37 Ca 0.13 -1.10 0.01 0.00 0.71 0.00 0.00 52.55 52.30 3knk s ASP 37 Cb -0.06 0.06 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 3knk s ASP 37 CO 0.25 -0.46 -0.08 -0.69 0.21 0.00 0.00 175.17 174.40 3knk s VAL 38 N -3.51 3.64 0.20 -1.27 1.01 -1.26 -1.18 120.40 118.03 3knk s VAL 38 Ca 0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 3knk s VAL 38 Cb 0.05 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3knk s VAL 38 CO 0.02 0.59 0.16 0.27 0.00 0.00 0.00 175.10 176.14 3knk s ILE 39 N -0.76 0.00 0.57 2.22 -4.36 0.28 -1.47 121.20 117.68 3knk s ILE 39 Ca 0.12 -1.95 -0.04 0.00 -0.26 0.00 0.00 60.65 58.51 3knk s ILE 39 Cb -0.11 -2.47 0.12 0.00 1.25 0.00 0.00 42.46 41.25 3knk s ILE 39 CO 0.01 -0.01 0.78 0.52 0.24 0.00 0.00 174.94 176.49 3knk n VAL 40 N -0.28 0.00 -3.59 8.37 0.31 0.42 -1.91 118.33 121.64 3knk n VAL 40 Ca 0.02 -0.94 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 3knk n VAL 40 Cb 0.66 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3knk n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knk n ALA 41 N -3.18 0.00 -3.19 3.52 0.00 -0.93 -4.01 120.51 112.71 3knk n ALA 41 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 3knk n ALA 41 Cb 0.41 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 3knk n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knk s SER 42 N -0.02 -0.35 -0.72 0.00 0.15 -0.76 -3.79 113.70 108.21 3knk s SER 42 Ca 0.00 -0.24 0.04 0.00 0.70 0.00 0.00 55.95 56.45 3knk s SER 42 Cb 0.00 0.53 0.20 0.00 -1.71 0.00 0.00 66.02 65.04 3knk s SER 42 CO 0.00 -0.93 0.61 0.52 1.20 0.00 0.00 173.24 174.65 3knk n VAL 43 N -0.30 2.06 0.18 4.45 0.31 -1.21 -1.31 118.33 122.52 3knk n VAL 43 Ca -0.15 -5.01 0.16 0.00 -0.01 0.00 0.00 64.34 59.32 3knk n VAL 43 Cb 0.64 -2.19 0.78 0.00 -0.91 0.00 0.00 33.84 32.16 3knk n VAL 43 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3knk h LYS 44 N 5.14 0.00 -3.05 5.55 1.79 -1.94 -2.71 116.57 121.36 3knk h LYS 44 Ca 0.16 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.51 3knk h LYS 44 Cb 0.73 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.17 3knk h LYS 44 CO 0.78 0.00 -0.31 -1.83 -1.08 0.00 0.00 179.45 177.01 3knk s GLU 45 N -4.79 0.58 0.18 3.15 -1.05 -1.25 -4.92 118.70 110.60 3knk s GLU 45 Ca -0.05 -0.04 -0.24 0.00 -0.15 0.00 0.00 54.97 54.49 3knk s GLU 45 Cb 0.16 0.26 0.05 0.00 -0.44 0.00 0.00 34.13 34.17 3knk s GLU 45 CO 0.60 -0.14 0.88 0.00 0.95 0.00 0.00 175.26 177.55 3knk s ALA 46 N -0.95 -1.54 0.06 -0.84 0.00 -1.26 -1.09 121.76 116.14 3knk s ALA 46 Ca -0.10 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3knk s ALA 46 Cb -0.05 0.70 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 3knk s ALA 46 CO 0.03 -1.02 0.59 0.42 0.00 0.00 0.00 175.76 175.78 3knk s ILE 47 N -3.47 4.76 0.00 0.00 1.09 -0.60 -4.79 121.20 118.18 3knk s ILE 47 Ca 0.11 1.26 0.00 0.00 -1.10 0.00 0.00 60.65 60.92 3knk s ILE 47 Cb -0.03 -3.92 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 3knk s ILE 47 CO 0.03 0.52 0.00 -2.65 -0.10 0.00 0.00 174.94 172.73 3knk n PRO 48 N 1.97 0.00 -2.79 2.79 -0.02 -1.26 -2.61 135.00 133.07 3knk n PRO 48 Ca -0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.96 3knk n PRO 48 Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.99 3knk n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3knk n ARG 49 N 0.00 4.02 -2.76 -0.52 0.00 -1.26 -4.98 116.66 111.15 3knk n ARG 49 Ca 0.00 -4.14 -0.27 0.00 -0.00 0.00 0.00 57.85 53.45 3knk n ARG 49 Cb 0.00 -2.70 -0.00 0.00 -0.00 0.00 0.00 32.46 29.76 3knk n ARG 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3knk s GLY 50 N -0.25 1.47 0.00 2.89 0.00 -1.07 -4.92 107.32 105.44 3knk s GLY 50 Ca 0.35 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 3knk s GLY 50 CO 0.05 -0.43 2.19 0.00 0.00 0.00 0.00 173.10 174.91 3knk n ALA 51 N -2.18 4.16 -3.65 3.20 0.00 -0.97 -4.51 120.51 116.56 3knk n ALA 51 Ca -0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 53.44 52.61 3knk n ALA 51 Cb 0.55 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.97 3knk n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knk s VAL 52 N 1.30 0.00 0.01 0.00 0.11 -1.24 -4.95 120.40 115.64 3knk s VAL 52 Ca 0.30 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.44 3knk s VAL 52 Cb 0.14 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3knk s VAL 52 CO 0.00 0.00 -0.26 -0.54 -3.33 0.00 0.00 175.10 170.97 3knk s LYS 53 N 0.45 1.95 -0.95 1.54 3.01 -1.26 -4.46 119.74 120.03 3knk s LYS 53 Ca 0.01 -1.02 -0.12 0.00 -1.01 0.00 0.00 55.97 53.82 3knk s LYS 53 Cb -0.04 -2.01 -0.30 0.00 -1.01 0.00 0.00 37.83 34.47 3knk s LYS 53 CO -0.13 0.54 2.13 0.39 0.51 0.00 0.00 175.35 178.79 3knk n GLU 54 N 2.08 0.00 0.00 1.68 1.02 -1.26 -0.43 120.64 123.74 3knk n GLU 54 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3knk n GLU 54 Cb 0.51 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 3knk n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knk n GLY 55 N 5.39 3.33 3.27 0.62 0.00 -1.02 -4.97 105.19 111.81 3knk n GLY 55 Ca 0.64 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3knk n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knk n ASP 56 N 0.00 -3.36 -4.32 1.61 10.43 0.43 -4.49 116.55 116.85 3knk n ASP 56 Ca 0.00 0.44 -0.46 0.00 2.57 0.00 0.00 54.79 57.34 3knk n ASP 56 Cb 0.00 -0.99 -0.02 0.00 1.84 0.00 0.00 41.12 41.95 3knk n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3knk s VAL 57 N -2.03 5.67 0.73 2.53 1.01 -1.26 -3.30 120.40 123.76 3knk s VAL 57 Ca 0.54 -2.86 -0.07 0.00 0.00 0.00 0.00 61.98 59.59 3knk s VAL 57 Cb -0.31 -4.47 0.08 0.00 0.00 0.00 0.00 36.38 31.68 3knk s VAL 57 CO 0.69 -1.08 1.05 0.68 0.00 0.00 0.00 175.10 176.43 3knk s VAL 58 N -0.40 2.23 0.13 2.92 -7.23 -1.25 -4.83 120.40 111.97 3knk s VAL 58 Ca 0.23 -0.27 0.06 0.00 -1.81 0.00 0.00 61.98 60.19 3knk s VAL 58 Cb -0.10 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 3knk s VAL 58 CO -0.09 0.00 0.01 -0.75 -0.31 0.00 0.00 175.10 173.97 3knk s LYS 59 N -5.31 2.52 -0.07 4.82 2.47 -1.26 -2.19 119.74 120.72 3knk s LYS 59 Ca 0.62 -0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 53.79 3knk s LYS 59 Cb -0.09 -2.47 0.11 0.00 -1.46 0.00 0.00 37.83 33.91 3knk s LYS 59 CO 0.46 0.50 0.91 0.00 0.16 0.00 0.00 175.35 177.37 3knk s ALA 60 N -1.51 -1.86 -0.02 3.13 0.00 -0.81 -2.87 121.76 117.82 3knk s ALA 60 Ca 0.27 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.55 3knk s ALA 60 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3knk s ALA 60 CO 0.19 -0.52 -0.23 0.54 0.00 0.00 0.00 175.76 175.74 3knk s VAL 61 N -2.20 1.84 -0.14 0.00 0.11 -0.16 0.10 120.40 119.94 3knk s VAL 61 Ca 0.01 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 57.76 3knk s VAL 61 Cb -0.01 -1.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.30 3knk s VAL 61 CO -0.03 0.51 1.11 -0.69 -3.33 0.00 0.00 175.10 172.66 3knk s VAL 62 N -0.56 4.54 -0.20 2.04 1.01 -0.33 -1.13 120.40 125.78 3knk s VAL 62 Ca 0.09 1.85 0.07 0.00 0.00 0.00 0.00 61.98 63.99 3knk s VAL 62 Cb -0.09 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3knk s VAL 62 CO -0.01 -0.08 0.24 1.33 0.00 0.00 0.00 175.10 176.59 3knk n VAL 63 N 4.94 0.00 -3.68 2.92 0.24 -1.18 0.15 118.33 121.72 3knk n VAL 63 Ca 0.11 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 3knk n VAL 63 Cb 0.47 0.73 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 3knk n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3knk s ARG 64 N -2.00 0.50 0.23 7.34 0.52 -1.18 -2.93 118.95 121.43 3knk s ARG 64 Ca 0.01 0.89 0.08 0.00 -0.52 0.00 0.00 55.73 56.18 3knk s ARG 64 Cb 0.05 0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 3knk s ARG 64 CO 0.29 -0.14 -0.12 0.95 0.02 0.00 0.00 175.30 176.30 3knk s THR 65 N 1.32 1.74 -0.87 0.02 -4.23 -1.23 -1.59 115.64 110.80 3knk s THR 65 Ca -0.08 -2.19 0.09 0.00 -1.18 0.00 0.00 61.69 58.32 3knk s THR 65 Cb -0.07 -2.20 0.20 0.00 1.34 0.00 0.00 72.50 71.77 3knk s THR 65 CO -0.13 -0.48 1.09 1.17 -0.54 0.00 0.00 174.62 175.73 3knk n LYS 66 N -0.46 2.14 -3.69 3.99 3.00 -1.22 -0.58 118.16 121.34 3knk n LYS 66 Ca -0.07 -1.69 -0.37 0.00 -0.00 0.00 0.00 58.31 56.18 3knk n LYS 66 Cb 0.61 -1.21 -0.09 0.00 0.00 0.00 0.00 35.03 34.35 3knk n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3knk s LYS 67 N -0.93 2.73 0.01 1.64 2.47 -1.26 -4.81 119.74 119.58 3knk s LYS 67 Ca 0.17 -2.65 -0.02 0.00 -1.56 0.00 0.00 55.97 51.90 3knk s LYS 67 Cb 0.09 -3.80 -0.01 0.00 -1.46 0.00 0.00 37.83 32.65 3knk s LYS 67 CO 0.12 -1.20 0.06 -0.85 0.16 0.00 0.00 175.35 173.65 3knk n GLU 68 N 3.32 0.00 -3.49 4.03 0.00 -1.25 -4.72 120.64 118.52 3knk n GLU 68 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.00 3knk n GLU 68 Cb 0.38 -0.09 -0.03 0.00 0.00 0.00 0.00 31.44 31.70 3knk n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3knk s ILE 69 N -0.03 5.12 -0.08 3.84 1.01 -0.19 -4.88 121.20 125.99 3knk s ILE 69 Ca 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.47 3knk s ILE 69 Cb -0.08 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 3knk s ILE 69 CO 0.04 -0.33 -0.13 -0.75 0.00 0.00 0.00 174.94 173.77 3knk s LYS 70 N -3.67 2.85 0.61 2.79 2.20 -1.26 -2.46 119.74 120.81 3knk s LYS 70 Ca 0.41 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 3knk s LYS 70 Cb -0.10 -2.50 0.07 0.00 -1.51 0.00 0.00 37.83 33.79 3knk s LYS 70 CO 0.31 0.48 0.85 1.03 -0.36 0.00 0.00 175.35 177.67 3knk s ARG 71 N -0.35 2.20 0.05 4.03 1.81 0.12 -4.97 118.95 121.84 3knk s ARG 71 Ca 0.04 -0.99 -0.05 0.00 -1.72 0.00 0.00 55.73 53.01 3knk s ARG 71 Cb -0.12 -2.45 -0.29 0.00 -0.45 0.00 0.00 34.95 31.64 3knk s ARG 71 CO 0.02 -0.99 1.05 -1.00 -0.68 0.00 0.00 175.30 173.70 3knk h PRO 72 N -0.13 0.28 0.00 3.54 0.13 -2.01 -3.11 132.00 130.71 3knk h PRO 72 Ca -0.39 -0.49 -0.02 0.00 -0.87 0.00 0.00 66.00 64.23 3knk h PRO 72 Cb 1.28 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.59 3knk h PRO 72 CO 0.46 1.20 -0.12 0.38 -0.23 0.00 0.00 178.00 179.70 3knk h ASP 73 N 0.08 0.00 -0.28 1.44 3.04 -2.06 -3.46 116.42 115.18 3knk h ASP 73 Ca -0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 3knk h ASP 73 Cb 2.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.29 3knk h ASP 73 CO 0.20 0.12 0.00 0.61 -2.04 0.00 0.00 179.24 178.12 3knk n GLY 74 N -0.57 0.90 3.58 7.15 0.00 -1.17 -5.13 105.19 109.95 3knk n GLY 74 Ca -0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 3knk n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3knk s SER 75 N -2.09 0.70 0.06 1.61 1.04 -1.26 -4.96 113.70 108.80 3knk s SER 75 Ca 0.00 -1.41 -0.21 0.00 0.48 0.00 0.00 55.95 54.81 3knk s SER 75 Cb 0.00 0.73 0.05 0.00 0.10 0.00 0.00 66.02 66.89 3knk s SER 75 CO 0.00 -1.43 0.49 0.00 0.98 0.00 0.00 173.24 173.28 3knk s ALA 76 N -2.79 -1.23 0.09 5.32 0.00 -1.26 0.13 121.76 122.02 3knk s ALA 76 Ca 0.26 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.74 3knk s ALA 76 Cb -0.02 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 3knk s ALA 76 CO 0.18 -0.52 -0.11 -1.50 0.00 0.00 0.00 175.76 173.81 3knk s ILE 77 N -2.63 1.01 -0.26 0.00 1.10 -1.03 -4.95 121.20 114.44 3knk s ILE 77 Ca -0.04 -1.53 -0.15 0.00 -0.51 0.00 0.00 60.65 58.42 3knk s ILE 77 Cb -0.00 -1.25 0.08 0.00 0.15 0.00 0.00 42.46 41.43 3knk s ILE 77 CO -0.03 -0.44 0.65 -0.60 -2.11 0.00 0.00 174.94 172.40 3knk s ARG 78 N -2.42 0.66 0.08 3.50 3.52 -1.26 -1.02 118.95 122.01 3knk s ARG 78 Ca 0.03 1.15 0.06 0.00 -0.13 0.00 0.00 55.73 56.84 3knk s ARG 78 Cb -0.05 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.42 3knk s ARG 78 CO 0.01 -0.15 -0.09 -0.06 -0.81 0.00 0.00 175.30 174.20 3knk s PHE 79 N 1.56 2.78 -0.70 5.12 0.40 0.26 -4.99 117.98 122.40 3knk s PHE 79 Ca -0.10 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 3knk s PHE 79 Cb -0.06 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.00 3knk s PHE 79 CO -0.18 0.41 0.08 -0.25 0.70 0.00 0.00 175.22 175.98 3knk n ASP 80 N 0.91 0.20 -3.61 1.36 8.00 -1.26 -3.39 116.55 118.76 3knk n ASP 80 Ca -0.14 -0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.11 3knk n ASP 80 Cb 0.52 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3knk n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3knk s ASP 81 N -0.31 -0.04 -0.49 -2.24 3.84 -1.26 -5.00 116.67 111.17 3knk s ASP 81 Ca 0.00 -0.02 -0.11 0.00 -0.00 0.00 0.00 52.55 52.42 3knk s ASP 81 Cb 0.00 0.05 0.12 0.00 -1.38 0.00 0.00 42.92 41.72 3knk s ASP 81 CO 0.00 -0.09 0.39 0.20 -0.00 0.00 0.00 175.17 175.67 3knk s ASN 82 N -2.42 5.82 0.30 2.11 0.02 -1.26 -3.49 114.94 116.03 3knk s ASN 82 Ca 0.12 -1.91 0.07 0.00 -1.02 0.00 0.00 52.86 50.13 3knk s ASN 82 Cb 0.02 -2.06 -0.03 0.00 0.02 0.00 0.00 41.25 39.20 3knk s ASN 82 CO -0.04 -0.73 0.23 0.00 0.02 0.00 0.00 177.10 176.59 3knk s ALA 83 N 1.38 3.69 0.27 0.60 0.00 -0.62 0.61 121.76 127.68 3knk s ALA 83 Ca 0.05 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 3knk s ALA 83 Cb -0.27 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 3knk s ALA 83 CO -0.00 0.11 0.29 0.00 0.00 0.00 0.00 175.76 176.16 3knk s ALA 84 N -2.25 1.00 -0.02 0.00 0.00 0.42 -3.12 121.76 117.78 3knk s ALA 84 Ca 0.37 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3knk s ALA 84 Cb -0.06 1.31 0.03 0.00 0.00 0.00 0.00 23.12 24.39 3knk s ALA 84 CO 0.25 -0.69 0.02 0.08 0.00 0.00 0.00 175.76 175.42 3knk s VAL 85 N -3.75 0.02 0.36 0.00 1.01 -0.28 -1.77 120.40 115.98 3knk s VAL 85 Ca 0.35 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 3knk s VAL 85 Cb 0.03 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 36.19 3knk s VAL 85 CO 0.17 0.10 1.20 -0.63 0.00 0.00 0.00 175.10 175.93 3knk s ILE 86 N 0.94 3.07 0.02 2.22 1.09 -1.25 -0.99 121.20 126.30 3knk s ILE 86 Ca -0.08 0.98 0.00 0.00 -1.10 0.00 0.00 60.65 60.45 3knk s ILE 86 Cb -0.12 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 3knk s ILE 86 CO -0.02 0.16 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.32 3knk s ILE 87 N -1.29 0.12 0.87 2.92 1.01 -1.14 -2.69 121.20 121.01 3knk s ILE 87 Ca 0.53 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3knk s ILE 87 Cb -0.34 -0.26 0.22 0.00 0.01 0.00 0.00 42.46 42.09 3knk s ILE 87 CO 0.43 -0.47 0.62 -0.46 0.00 0.00 0.00 174.94 175.05 3knk n ASN 88 N 1.66 -2.66 0.06 3.58 0.23 0.19 -4.49 115.26 113.83 3knk n ASN 88 Ca -0.23 -0.72 0.13 0.00 -0.53 0.00 0.00 54.58 53.23 3knk n ASN 88 Cb 0.55 -0.64 0.50 0.00 -2.08 0.00 0.00 39.78 38.12 3knk n ASN 88 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3knk n ASN 89 N -4.54 0.44 -1.68 0.53 5.15 -1.26 -3.18 115.26 110.71 3knk n ASN 89 Ca 0.09 0.53 -0.10 0.00 -0.60 0.00 0.00 54.58 54.50 3knk n ASN 89 Cb 0.38 -0.64 0.15 0.00 -0.53 0.00 0.00 39.78 39.13 3knk n ASN 89 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3knk n GLN 90 N -1.91 2.21 -4.10 1.20 3.00 -1.26 -4.90 117.38 111.62 3knk n GLN 90 Ca 0.06 -1.93 -0.33 0.00 -0.01 0.00 0.00 57.00 54.79 3knk n GLN 90 Cb 0.39 -1.81 -0.01 0.00 0.00 0.00 0.00 30.24 28.81 3knk n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3knk n LEU 91 N -0.31 -2.01 -4.32 1.08 7.99 -1.19 -4.99 117.00 113.24 3knk n LEU 91 Ca 0.33 -0.95 -0.24 0.00 -0.01 0.00 0.00 56.01 55.15 3knk n LEU 91 Cb 1.15 -2.23 -0.12 0.00 -0.11 0.00 0.00 43.42 42.11 3knk n LEU 91 CO 0.34 0.36 -0.51 -1.61 -1.51 0.00 0.00 177.39 174.46 3knk s GLU 92 N -6.79 1.24 1.07 3.23 2.02 -1.26 -4.89 118.70 113.31 3knk s GLU 92 Ca 0.62 -1.31 -0.15 0.00 0.02 0.00 0.00 54.97 54.14 3knk s GLU 92 Cb -0.33 -1.44 0.24 0.00 0.10 0.00 0.00 34.13 32.70 3knk s GLU 92 CO 0.90 0.32 0.54 -0.35 0.02 0.00 0.00 175.26 176.68 3knk n PRO 93 N 0.67 -2.53 0.00 0.39 -0.04 -1.26 0.57 135.00 132.80 3knk n PRO 93 Ca -0.16 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 3knk n PRO 93 Cb 0.55 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3knk n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knk n ARG 94 N -2.86 0.00 0.00 0.54 1.74 -1.09 -3.59 116.66 111.39 3knk n ARG 94 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3knk n ARG 94 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 3knk n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 95 N 3.27 -3.59 2.54 -0.13 0.00 -1.26 -5.00 105.19 101.01 3knk n GLY 95 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.84 3knk n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3knk n THR 96 N -2.68 0.92 0.00 2.61 -2.24 -1.26 -4.94 114.28 106.69 3knk n THR 96 Ca 0.00 -2.38 0.00 0.00 -2.27 0.00 0.00 64.05 59.40 3knk n THR 96 Cb 0.00 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3knk n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3knk n ARG 97 N -0.43 0.00 0.00 -0.78 5.12 -1.26 -5.01 116.66 114.30 3knk n ARG 97 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3knk n ARG 97 Cb 0.87 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.17 3knk n ARG 97 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 3knk n VAL 98 N -0.14 -0.17 -4.15 1.55 3.14 -1.25 -4.63 118.33 112.67 3knk n VAL 98 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 3knk n VAL 98 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 3knk n VAL 98 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3knk s PHE 99 N -2.55 0.50 0.19 1.45 0.08 0.08 -4.81 117.98 112.91 3knk s PHE 99 Ca 0.00 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.91 3knk s PHE 99 Cb 0.00 -0.32 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 3knk s PHE 99 CO 0.00 -0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 3knk n GLY 100 N 2.78 -2.15 2.42 4.36 0.00 -1.26 -4.87 105.19 106.47 3knk n GLY 100 Ca -0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 3knk n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knk n PRO 101 N -3.12 0.00 0.00 1.61 -0.02 -1.26 -4.47 135.00 127.74 3knk n PRO 101 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3knk n PRO 101 Cb 0.27 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3knk n PRO 101 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3knk n VAL 102 N -2.70 0.00 -0.70 -1.45 3.14 -1.24 -4.93 118.33 110.45 3knk n VAL 102 Ca -0.01 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.05 3knk n VAL 102 Cb 0.20 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 33.15 3knk n VAL 102 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3knk n ALA 103 N -0.13 -3.77 0.37 1.55 0.00 -1.15 -1.30 120.51 116.09 3knk n ALA 103 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 53.44 52.40 3knk n ALA 103 Cb 0.00 -1.60 0.13 0.00 0.00 0.00 0.00 19.45 17.98 3knk n ALA 103 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3knk n ARG 104 N -2.04 1.84 -0.28 0.00 1.85 -0.72 -4.29 116.66 113.00 3knk n ARG 104 Ca 0.02 -1.79 -0.05 0.00 -1.00 0.00 0.00 57.85 55.03 3knk n ARG 104 Cb 0.60 -1.35 0.08 0.00 -1.05 0.00 0.00 32.46 30.74 3knk n ARG 104 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3knk h GLU 105 N 3.21 1.17 -0.97 2.89 3.07 -1.90 -1.65 114.58 120.41 3knk h GLU 105 Ca 0.00 -0.21 0.14 0.00 -0.50 0.00 0.00 59.36 58.79 3knk h GLU 105 Cb 0.75 -0.19 -0.08 0.00 -0.84 0.00 0.00 28.75 28.39 3knk h GLU 105 CO 0.00 0.95 0.61 -0.07 -1.40 0.00 0.00 179.01 179.10 3knk h LEU 106 N 1.14 0.82 -0.11 1.33 3.38 -1.90 1.42 115.31 121.39 3knk h LEU 106 Ca 0.26 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3knk h LEU 106 Cb 0.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3knk h LEU 106 CO -0.02 0.41 0.00 -1.14 0.09 0.00 0.00 178.44 177.78 3knk n ARG 107 N -4.62 0.02 0.03 1.13 0.63 -0.62 0.11 116.66 113.33 3knk n ARG 107 Ca 0.19 0.40 -0.02 0.00 -0.92 0.00 0.00 57.85 57.51 3knk n ARG 107 Cb 0.42 -1.54 -0.09 0.00 0.45 0.00 0.00 32.46 31.70 3knk n ARG 107 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3knk h GLU 108 N 0.00 0.00 0.00 -0.14 5.08 0.19 -3.38 114.58 116.33 3knk h GLU 108 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3knk h GLU 108 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3knk h GLU 108 CO 0.00 0.35 -0.49 1.63 -1.00 0.00 0.00 179.01 179.50 3knk n LYS 109 N -2.95 0.42 0.00 2.33 4.76 0.01 -5.03 118.16 117.71 3knk n LYS 109 Ca -0.10 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 3knk n LYS 109 Cb 0.88 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 3knk n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knk n GLY 110 N 1.62 -0.09 0.44 0.72 0.00 0.12 -5.01 105.19 102.99 3knk n GLY 110 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3knk n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knk n PHE 111 N 0.00 0.00 -0.10 1.61 3.72 -1.04 -4.48 117.46 117.17 3knk n PHE 111 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3knk n PHE 111 Cb 0.00 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3knk n PHE 111 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3knk n MET 112 N 0.38 -0.04 -0.13 -1.08 2.81 -1.26 0.95 117.12 118.75 3knk n MET 112 Ca 0.00 0.43 -0.06 0.00 -1.81 0.00 0.00 57.70 56.25 3knk n MET 112 Cb 0.00 -0.64 -0.00 0.00 -0.71 0.00 0.00 33.22 31.88 3knk n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3knk h LYS 113 N 0.00 -0.19 -0.38 0.03 1.57 -1.97 0.96 116.57 116.60 3knk h LYS 113 Ca 0.12 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 3knk h LYS 113 Cb 0.19 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3knk h LYS 113 CO -0.28 -0.13 0.07 0.82 -0.57 0.00 0.00 179.45 179.36 3knk h ILE 114 N -0.20 0.80 -0.81 1.86 1.08 0.21 -3.04 117.51 117.40 3knk h ILE 114 Ca 0.20 -0.07 0.20 0.00 -0.39 0.00 0.00 64.86 64.80 3knk h ILE 114 Cb 0.52 0.59 -0.13 0.00 -3.07 0.00 0.00 36.82 34.72 3knk h ILE 114 CO -0.55 0.03 0.13 0.58 -0.69 0.00 0.00 178.15 177.65 3knk h VAL 115 N 0.19 0.35 -0.04 1.67 2.07 -0.49 -3.01 116.25 116.99 3knk h VAL 115 Ca 0.18 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 3knk h VAL 115 Cb 0.22 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3knk h VAL 115 CO -0.24 0.03 -0.46 0.77 0.02 0.00 0.00 177.57 177.69 3knk h SER 116 N 0.17 0.47 0.06 0.57 4.64 -1.31 -2.99 113.55 115.16 3knk h SER 116 Ca 0.48 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3knk h SER 116 Cb 0.90 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3knk h SER 116 CO -0.64 1.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.61 3knk n LEU 117 N -4.32 0.00 -4.73 5.97 4.77 -1.16 -4.57 117.00 112.97 3knk n LEU 117 Ca -0.09 0.28 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 3knk n LEU 117 Cb 0.59 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3knk n LEU 117 CO 0.44 -0.25 0.99 0.00 -1.33 0.00 0.00 177.39 177.24 3knk s ALA 118 N -2.55 3.52 -1.86 -1.18 0.00 -1.13 -4.76 121.76 113.79 3knk s ALA 118 Ca 0.03 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.11 3knk s ALA 118 Cb 0.02 -3.49 0.36 0.00 0.00 0.00 0.00 23.12 20.02 3knk s ALA 118 CO 0.05 -0.53 0.89 -0.35 0.00 0.00 0.00 175.76 175.82 3knk n PRO 119 N 3.31 0.17 0.00 0.00 -0.04 -1.26 -4.69 135.00 132.49 3knk n PRO 119 Ca 0.08 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3knk n PRO 119 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3knk n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3knk n GLU 120 N -1.07 0.00 -3.81 0.54 2.13 -1.26 -4.98 120.64 112.19 3knk n GLU 120 Ca 0.04 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.50 3knk n GLU 120 Cb 0.03 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.62 3knk n GLU 120 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3knk s VAL 121 N -1.06 4.61 -0.04 6.31 1.01 -1.26 -3.61 120.40 126.37 3knk s VAL 121 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3knk s VAL 121 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3knk s VAL 121 CO 0.00 0.36 0.51 0.18 0.00 0.00 0.00 175.10 176.15