#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s PHE 12 N 0.00 3.09 -1.44 5.58 -0.12 -1.26 -4.98 117.98 118.85 3knm s PHE 12 Ca 0.00 -0.40 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 3knm s PHE 12 Cb 0.00 -2.22 0.35 0.00 -0.63 0.00 0.00 43.02 40.52 3knm s PHE 12 CO 0.00 -0.33 1.08 0.54 -0.05 0.00 0.00 175.22 176.45 3knm n ARG 13 N 4.84 0.10 0.00 1.99 3.00 -1.26 -4.88 116.66 120.45 3knm n ARG 13 Ca -0.16 0.22 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 3knm n ARG 13 Cb 0.51 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.47 3knm n ARG 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3knm n VAL 14 N -1.28 0.00 -2.21 1.55 0.31 -1.26 -4.67 118.33 110.77 3knm n VAL 14 Ca 0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.26 3knm n VAL 14 Cb 0.05 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 3knm n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knm n ARG 15 N 0.00 -1.33 0.08 5.55 5.12 -1.26 -4.58 116.66 120.24 3knm n ARG 15 Ca 0.00 0.03 0.01 0.00 -1.93 0.00 0.00 57.85 55.97 3knm n ARG 15 Cb 0.00 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.20 3knm n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3knm h ASN 16 N -0.21 0.00 -0.21 0.55 4.21 -1.89 -3.39 115.58 114.64 3knm h ASN 16 Ca -0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.36 3knm h ASN 16 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3knm h ASN 16 CO 0.22 0.55 0.00 -2.11 -1.29 0.00 0.00 177.43 174.80 3knm n ARG 17 N -3.05 1.29 0.00 0.81 1.85 -1.26 -3.79 116.66 112.50 3knm n ARG 17 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 3knm n ARG 17 Cb 0.79 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.20 3knm n ARG 17 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3knm n ILE 18 N 0.00 0.00 -0.41 8.89 2.08 -1.26 -4.54 119.36 124.12 3knm n ILE 18 Ca 0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 3knm n ILE 18 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 38.88 3knm n ILE 18 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3knm n LYS 19 N 0.00 1.13 -5.05 0.38 4.81 -1.25 -4.78 118.16 113.40 3knm n LYS 19 Ca 0.00 -0.96 -0.30 0.00 -0.87 0.00 0.00 58.31 56.18 3knm n LYS 19 Cb 0.00 -2.19 -0.17 0.00 0.02 0.00 0.00 35.03 32.70 3knm n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3knm s ARG 20 N 3.89 2.54 -0.30 1.64 1.81 -1.26 -5.04 118.95 122.23 3knm s ARG 20 Ca 0.22 -0.76 -0.08 0.00 -1.72 0.00 0.00 55.73 53.40 3knm s ARG 20 Cb 0.06 -2.01 0.19 0.00 -0.45 0.00 0.00 34.95 32.75 3knm s ARG 20 CO -0.02 0.19 0.94 0.99 -0.68 0.00 0.00 175.30 176.72 3knm s THR 21 N 0.29 -0.43 0.00 0.02 2.01 -1.26 -4.96 115.64 111.31 3knm s THR 21 Ca -0.14 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.86 3knm s THR 21 Cb -0.16 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.86 3knm s THR 21 CO 0.06 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 3knm n GLY 22 N 5.21 0.00 0.73 4.40 0.00 -1.26 -5.14 105.19 109.12 3knm n GLY 22 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3knm n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 23 N 0.00 0.00 -2.11 1.61 1.74 -1.26 -4.79 116.66 111.84 3knm n ARG 23 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3knm n ARG 23 Cb 0.00 -0.39 -0.03 0.00 -1.02 0.00 0.00 32.46 31.02 3knm n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3knm n LEU 24 N -1.67 -4.33 -4.94 0.55 7.99 -1.23 -4.39 117.00 108.97 3knm n LEU 24 Ca 0.00 1.30 -0.24 0.00 -0.01 0.00 0.00 56.01 57.06 3knm n LEU 24 Cb 0.00 -2.28 0.01 0.00 -0.11 0.00 0.00 43.42 41.03 3knm n LEU 24 CO 0.00 -2.27 0.28 -0.13 -1.51 0.00 0.00 177.39 173.76 3knm s ARG 25 N -0.82 3.19 -0.32 3.23 0.52 -0.64 -0.46 118.95 123.66 3knm s ARG 25 Ca -0.16 -0.38 0.12 0.00 -0.52 0.00 0.00 55.73 54.79 3knm s ARG 25 Cb 0.01 -2.55 0.46 0.00 0.52 0.00 0.00 34.95 33.39 3knm s ARG 25 CO 0.45 -0.19 1.12 -0.11 0.02 0.00 0.00 175.30 176.59 3knm n LEU 26 N -2.05 3.49 -4.50 2.53 0.00 -0.62 -1.31 117.00 114.54 3knm n LEU 26 Ca 0.00 -4.24 -0.47 0.00 0.00 0.00 0.00 56.01 51.29 3knm n LEU 26 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 43.42 43.93 3knm n LEU 26 CO 0.48 1.77 0.31 -0.24 0.00 0.00 0.00 177.39 179.72 3knm n SER 27 N -0.54 0.05 -4.41 1.96 2.88 -1.10 -3.85 113.62 108.62 3knm n SER 27 Ca 0.28 1.15 -0.20 0.00 -1.33 0.00 0.00 58.87 58.77 3knm n SER 27 Cb 0.84 -1.11 -0.10 0.00 -0.75 0.00 0.00 64.21 63.09 3knm n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3knm s VAL 28 N -0.89 1.43 -0.07 2.46 1.01 -1.26 -1.81 120.40 121.27 3knm s VAL 28 Ca 0.64 -2.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.52 3knm s VAL 28 Cb -0.85 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.09 3knm s VAL 28 CO 0.57 -0.27 0.05 0.12 0.00 0.00 0.00 175.10 175.57 3knm s PHE 29 N -3.15 0.30 -1.07 5.22 5.99 0.73 -4.56 117.98 121.44 3knm s PHE 29 Ca 0.30 0.02 -0.05 0.00 0.00 0.00 0.00 56.93 57.20 3knm s PHE 29 Cb 0.05 -0.62 0.30 0.00 0.00 0.00 0.00 43.02 42.75 3knm s PHE 29 CO 0.11 -0.29 1.40 -2.13 -0.00 0.00 0.00 175.22 174.31 3knm n ARG 30 N 5.24 4.26 -1.18 10.12 3.00 -1.26 -1.58 116.66 135.26 3knm n ARG 30 Ca -0.05 -4.55 -0.31 0.00 -0.00 0.00 0.00 57.85 52.95 3knm n ARG 30 Cb 0.50 -2.51 0.12 0.00 0.00 0.00 0.00 32.46 30.56 3knm n ARG 30 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3knm s SER 31 N -1.28 3.96 0.13 6.15 1.04 -0.93 -4.94 113.70 117.84 3knm s SER 31 Ca 0.31 1.75 -0.19 0.00 0.48 0.00 0.00 55.95 58.30 3knm s SER 31 Cb 0.03 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 3knm s SER 31 CO 0.07 -2.37 1.76 -0.07 0.98 0.00 0.00 173.24 173.61 3knm h LEU 32 N -1.36 0.13 0.02 2.42 3.38 -2.05 -3.26 115.31 114.59 3knm h LEU 32 Ca -0.46 0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.23 3knm h LEU 32 Cb 1.25 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3knm h LEU 32 CO 0.51 0.11 -1.76 0.29 0.09 0.00 0.00 178.44 177.68 3knm n LYS 33 N -5.02 0.65 -1.67 1.13 4.76 -1.26 -5.03 118.16 111.73 3knm n LYS 33 Ca -0.02 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3knm n LYS 33 Cb 0.08 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 3knm n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3knm n HIS 34 N -3.13 0.00 -3.76 2.13 -0.00 -1.23 -4.94 115.22 104.29 3knm n HIS 34 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.40 3knm n HIS 34 Cb 1.05 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.92 3knm n HIS 34 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3knm s ILE 35 N -1.05 -0.01 0.14 1.59 2.07 -1.26 -2.20 121.20 120.48 3knm s ILE 35 Ca 0.00 0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.35 3knm s ILE 35 Cb 0.00 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 3knm s ILE 35 CO 0.00 0.02 -0.16 -0.31 -1.91 0.00 0.00 174.94 172.58 3knm s TYR 36 N 0.49 1.60 -0.29 3.50 1.51 -0.62 0.11 117.35 123.66 3knm s TYR 36 Ca -0.03 -0.51 -0.15 0.00 -1.01 0.00 0.00 57.07 55.37 3knm s TYR 36 Cb -0.04 -0.82 0.11 0.00 -0.11 0.00 0.00 41.96 41.09 3knm s TYR 36 CO -0.03 0.23 0.75 0.00 -1.11 0.00 0.00 175.55 175.40 3knm s ALA 37 N -2.07 -2.03 -0.03 3.71 0.00 -1.25 -0.20 121.76 119.89 3knm s ALA 37 Ca 0.12 2.35 0.05 0.00 0.00 0.00 0.00 51.96 54.48 3knm s ALA 37 Cb -0.05 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3knm s ALA 37 CO 0.05 -0.49 -0.17 -0.65 0.00 0.00 0.00 175.76 174.50 3knm s GLN 38 N 1.83 1.55 -0.39 0.00 -0.21 -0.75 -2.47 119.66 119.21 3knm s GLN 38 Ca -0.09 -0.60 -0.23 0.00 0.02 0.00 0.00 55.36 54.46 3knm s GLN 38 Cb -0.06 -1.42 0.01 0.00 1.00 0.00 0.00 33.01 32.54 3knm s GLN 38 CO -0.19 0.30 0.79 0.42 -2.12 0.00 0.00 175.29 174.50 3knm s ILE 39 N -0.19 4.70 0.17 1.08 -1.09 -0.32 -2.71 121.20 122.84 3knm s ILE 39 Ca 0.02 0.78 0.08 0.00 -2.23 0.00 0.00 60.65 59.30 3knm s ILE 39 Cb -0.09 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 3knm s ILE 39 CO 0.01 -0.52 -0.06 -0.63 -1.23 0.00 0.00 174.94 172.51 3knm s ILE 40 N 3.18 3.42 -0.51 2.92 1.01 -0.43 -1.29 121.20 129.50 3knm s ILE 40 Ca 0.31 -1.51 0.04 0.00 0.00 0.00 0.00 60.65 59.49 3knm s ILE 40 Cb -0.13 -2.69 0.13 0.00 0.01 0.00 0.00 42.46 39.79 3knm s ILE 40 CO 0.19 -0.08 0.27 -0.62 0.00 0.00 0.00 174.94 174.70 3knm s ASP 41 N -2.77 4.17 1.10 3.58 2.15 0.16 -1.62 116.67 123.45 3knm s ASP 41 Ca 0.25 -2.97 -0.09 0.00 0.43 0.00 0.00 52.55 50.17 3knm s ASP 41 Cb -0.09 -1.50 0.14 0.00 -0.30 0.00 0.00 42.92 41.16 3knm s ASP 41 CO 0.16 -0.23 0.50 0.47 -0.17 0.00 0.00 175.17 175.90 3knm n ASP 42 N 3.15 -1.38 0.00 -0.34 9.92 -1.26 -2.26 116.55 124.38 3knm n ASP 42 Ca 0.07 -0.83 0.00 0.00 -0.53 0.00 0.00 54.79 53.49 3knm n ASP 42 Cb 0.33 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.35 3knm n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3knm n GLU 43 N -2.96 -0.80 0.00 -1.24 -0.58 -1.26 -4.23 120.64 109.57 3knm n GLU 43 Ca 0.07 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 3knm n GLU 43 Cb 0.27 -4.51 0.00 0.00 -0.57 0.00 0.00 31.44 26.63 3knm n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3knm n LYS 44 N -0.85 0.00 -3.91 3.49 4.81 -1.18 -5.06 118.16 115.46 3knm n LYS 44 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3knm n LYS 44 Cb 0.20 -0.06 0.01 0.00 0.02 0.00 0.00 35.03 35.20 3knm n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knm n GLY 45 N 0.00 -0.39 3.15 3.14 0.00 -0.96 -5.00 105.19 105.13 3knm n GLY 45 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3knm n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knm s VAL 46 N -3.49 0.76 -0.15 1.61 1.01 -1.00 -5.03 120.40 114.12 3knm s VAL 46 Ca 0.41 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 3knm s VAL 46 Cb -0.21 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3knm s VAL 46 CO 0.85 -0.67 -0.10 -0.89 0.00 0.00 0.00 175.10 174.29 3knm s THR 47 N -2.78 3.24 -0.15 3.92 2.01 -1.26 -0.66 115.64 119.96 3knm s THR 47 Ca 0.06 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 3knm s THR 47 Cb -0.01 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 3knm s THR 47 CO -0.02 0.50 -0.29 0.18 -0.69 0.00 0.00 174.62 174.31 3knm n LEU 48 N 3.76 1.69 -4.09 4.42 4.32 -0.41 -4.97 117.00 121.72 3knm n LEU 48 Ca -0.18 0.33 -0.32 0.00 -0.02 0.00 0.00 56.01 55.83 3knm n LEU 48 Cb 0.52 -0.73 -0.16 0.00 -1.62 0.00 0.00 43.42 41.43 3knm n LEU 48 CO 0.31 -0.32 -0.51 -0.69 -1.22 0.00 0.00 177.39 174.95 3knm s VAL 49 N -2.59 1.86 0.22 4.08 1.01 -1.24 -5.01 120.40 118.74 3knm s VAL 49 Ca -0.24 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.02 3knm s VAL 49 Cb 0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3knm s VAL 49 CO 0.35 0.51 -0.11 -0.94 0.00 0.00 0.00 175.10 174.91 3knm s SER 50 N 1.31 4.10 -0.42 3.32 1.04 -1.26 -1.17 113.70 120.61 3knm s SER 50 Ca 0.04 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.82 3knm s SER 50 Cb -0.13 -0.62 0.17 0.00 0.10 0.00 0.00 66.02 65.54 3knm s SER 50 CO -0.11 0.07 0.56 0.00 0.98 0.00 0.00 173.24 174.74 3knm s ALA 51 N -1.97 -1.55 0.41 5.32 0.00 -1.03 -4.81 121.76 118.13 3knm s ALA 51 Ca 0.27 -0.40 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 3knm s ALA 51 Cb -0.08 -2.47 -0.10 0.00 0.00 0.00 0.00 23.12 20.47 3knm s ALA 51 CO 0.15 -2.19 0.96 -1.12 0.00 0.00 0.00 175.76 173.57 3knm s SER 52 N 1.45 6.98 0.00 0.00 0.01 -1.26 -3.94 113.70 116.93 3knm s SER 52 Ca 0.20 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.23 3knm s SER 52 Cb -0.06 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3knm s SER 52 CO -0.06 -0.33 0.00 -0.24 0.41 0.00 0.00 173.24 173.02 3knm n SER 53 N -0.33 0.00 -4.57 2.44 2.88 0.12 -3.86 113.62 110.30 3knm n SER 53 Ca 0.06 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.32 3knm n SER 53 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 3knm n SER 53 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3knm s LEU 54 N 0.00 3.13 0.00 2.46 2.01 -1.26 0.77 118.68 125.80 3knm s LEU 54 Ca 0.00 -1.25 0.00 0.00 0.01 0.00 0.00 54.13 52.89 3knm s LEU 54 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 46.19 43.62 3knm s LEU 54 CO 0.00 -2.85 0.00 0.00 1.01 0.00 0.00 176.35 174.51 3knm n ALA 55 N 13.92 0.00 -2.13 4.21 0.00 -1.26 -4.81 120.51 130.43 3knm n ALA 55 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3knm n ALA 55 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 3knm n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knm n LEU 56 N 0.00 0.13 0.00 0.00 0.00 0.23 -4.82 117.00 112.55 3knm n LEU 56 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 56.01 54.61 3knm n LEU 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3knm n LEU 56 CO 0.00 0.63 0.00 1.17 0.00 0.00 0.00 177.39 179.19 3knm n LYS 57 N 0.13 0.00 -0.18 1.96 0.00 -1.24 -4.96 118.16 113.87 3knm n LYS 57 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 3knm n LYS 57 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.81 3knm n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3knm n LEU 58 N 0.00 0.00 0.00 3.14 4.32 -1.26 -4.58 117.00 118.62 3knm n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3knm n LEU 58 Cb 0.00 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 3knm n LEU 58 CO 0.00 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 3knm n LYS 59 N -0.27 0.00 -0.00 3.23 5.02 -1.26 -4.87 118.16 120.01 3knm n LYS 59 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 3knm n LYS 59 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 3knm n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knm n GLY 60 N 0.00 0.59 3.70 0.72 0.00 -1.26 -5.00 105.19 103.93 3knm n GLY 60 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3knm n GLY 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3knm s ASN 61 N -1.45 6.65 0.00 1.61 3.04 -1.26 -5.01 114.94 118.52 3knm s ASN 61 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 52.86 53.68 3knm s ASN 61 Cb 0.02 -2.29 0.00 0.00 -1.54 0.00 0.00 41.25 37.43 3knm s ASN 61 CO 0.09 -0.08 0.90 0.29 -3.04 0.00 0.00 177.10 175.27 3knm n LYS 62 N 4.14 0.00 0.17 0.43 4.76 -1.26 -1.43 118.16 124.97 3knm n LYS 62 Ca -0.06 0.51 -0.17 0.00 -2.87 0.00 0.00 58.31 55.73 3knm n LYS 62 Cb 0.51 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 3knm n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3knm h THR 63 N 0.00 0.01 -0.98 -0.18 1.35 -1.94 -0.20 112.91 110.96 3knm h THR 63 Ca 0.00 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.18 3knm h THR 63 Cb 0.00 0.01 -0.15 0.00 -1.73 0.00 0.00 68.15 66.27 3knm h THR 63 CO 0.00 0.00 0.49 -0.08 -0.25 0.00 0.00 175.52 175.68 3knm h GLU 64 N -0.83 0.24 -0.00 4.72 4.81 -1.97 1.03 114.58 122.57 3knm h GLU 64 Ca -0.02 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 3knm h GLU 64 Cb 0.80 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3knm h GLU 64 CO -0.22 0.16 -0.67 0.28 -0.73 0.00 0.00 179.01 177.82 3knm h VAL 65 N 0.24 1.48 0.08 0.32 2.07 -0.32 -3.18 116.25 116.94 3knm h VAL 65 Ca 0.72 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 3knm h VAL 65 Cb 1.66 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3knm h VAL 65 CO -0.65 0.65 -0.08 0.00 0.02 0.00 0.00 177.57 177.52 3knm h ALA 66 N 1.31 -0.81 -0.09 1.67 0.00 0.29 -0.47 119.26 121.16 3knm h ALA 66 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3knm h ALA 66 Cb 1.19 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3knm h ALA 66 CO 0.09 -0.82 0.00 0.54 0.00 0.00 0.00 179.25 179.06 3knm n ARG 67 N -2.74 0.00 -0.14 0.00 5.12 -0.94 -0.01 116.66 117.94 3knm n ARG 67 Ca -0.02 0.32 -0.12 0.00 -1.93 0.00 0.00 57.85 56.10 3knm n ARG 67 Cb 0.07 -0.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.79 3knm n ARG 67 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3knm h GLN 68 N 0.00 -0.33 0.00 5.56 4.20 -1.50 0.89 115.11 123.93 3knm h GLN 68 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3knm h GLN 68 Cb 0.00 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3knm h GLN 68 CO 0.00 -0.22 0.32 1.55 -0.67 0.00 0.00 178.83 179.82 3knm n VAL 69 N -5.12 0.68 -0.06 -0.54 3.14 0.98 0.42 118.33 117.83 3knm n VAL 69 Ca -0.03 0.67 -0.03 0.00 -2.96 0.00 0.00 64.34 61.99 3knm n VAL 69 Cb 0.31 -1.67 -0.01 0.00 -1.06 0.00 0.00 33.84 31.41 3knm n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3knm h GLY 70 N 0.00 0.00 2.00 7.55 0.00 0.21 -3.07 103.07 109.76 3knm h GLY 70 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3knm h GLY 70 CO 0.00 0.00 -0.01 3.21 0.00 0.00 0.00 176.54 179.74 3knm h ARG 71 N -0.97 0.00 -0.18 4.80 3.08 -0.67 0.31 114.38 120.75 3knm h ARG 71 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3knm h ARG 71 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3knm h ARG 71 CO 0.00 0.01 0.01 0.00 -1.07 0.00 0.00 179.97 178.92 3knm h ALA 72 N 1.99 0.17 -0.37 0.04 0.00 -0.13 0.43 119.26 121.39 3knm h ALA 72 Ca -0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3knm h ALA 72 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3knm h ALA 72 CO 0.00 -0.42 -0.03 1.25 0.00 0.00 0.00 179.25 180.05 3knm h LEU 73 N 0.08 0.66 0.26 0.00 6.46 -0.36 -3.22 115.31 119.19 3knm h LEU 73 Ca 0.08 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 3knm h LEU 73 Cb 0.09 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.81 3knm h LEU 73 CO -0.13 0.83 -0.52 0.00 -0.62 0.00 0.00 178.44 178.00 3knm h ALA 74 N 0.85 -1.04 -0.86 1.25 0.00 -0.36 0.85 119.26 119.95 3knm h ALA 74 Ca 0.10 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3knm h ALA 74 Cb 0.51 0.84 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 3knm h ALA 74 CO 0.02 -1.15 -0.53 0.93 0.00 0.00 0.00 179.25 178.53 3knm h GLU 75 N -0.85 -0.08 -0.27 0.00 5.08 -0.20 0.27 114.58 118.53 3knm h GLU 75 Ca -0.03 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3knm h GLU 75 Cb 0.80 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3knm h GLU 75 CO -0.21 -0.06 -0.23 0.87 -1.00 0.00 0.00 179.01 178.39 3knm h LYS 76 N -0.09 0.51 0.00 2.33 1.57 -1.52 -3.11 116.57 116.27 3knm h LYS 76 Ca 0.18 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3knm h LYS 76 Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3knm h LYS 76 CO -0.87 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 178.72 3knm n ALA 77 N -2.49 -0.11 -0.31 3.86 0.00 0.29 -2.50 120.51 119.25 3knm n ALA 77 Ca -0.00 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.74 3knm n ALA 77 Cb 0.39 0.17 0.65 0.00 0.00 0.00 0.00 19.45 20.66 3knm n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knm h LEU 78 N 0.00 0.18 -2.28 0.00 3.38 -1.41 0.13 115.31 115.32 3knm h LEU 78 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3knm h LEU 78 Cb 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3knm h LEU 78 CO 0.00 0.03 0.24 0.00 0.09 0.00 0.00 178.44 178.80 3knm h ALA 79 N 1.51 1.28 -0.35 1.53 0.00 -1.41 0.85 119.26 122.67 3knm h ALA 79 Ca 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3knm h ALA 79 Cb 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3knm h ALA 79 CO -0.13 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.15 3knm n LEU 80 N -2.99 3.00 0.00 0.00 4.32 0.47 -4.97 117.00 116.83 3knm n LEU 80 Ca -0.02 -2.06 0.00 0.00 -0.02 0.00 0.00 56.01 53.91 3knm n LEU 80 Cb 0.30 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.84 3knm n LEU 80 CO 0.16 0.73 0.00 0.61 -1.22 0.00 0.00 177.39 177.67 3knm n GLY 81 N 0.47 0.50 3.84 -0.72 0.00 0.29 -5.04 105.19 104.53 3knm n GLY 81 Ca 0.12 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3knm n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knm s ILE 82 N -2.00 3.26 0.00 -0.61 1.01 -1.21 -4.92 121.20 116.73 3knm s ILE 82 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3knm s ILE 82 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3knm s ILE 82 CO 0.00 -0.53 0.00 1.17 0.00 0.00 0.00 174.94 175.58 3knm n LYS 83 N -3.23 0.00 -3.86 2.79 4.81 -1.26 -4.19 118.16 113.22 3knm n LYS 83 Ca 0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.17 3knm n LYS 83 Cb 0.57 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.49 3knm n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3knm s GLN 84 N -0.05 1.95 0.00 1.64 2.00 -1.26 0.13 119.66 124.07 3knm s GLN 84 Ca 0.00 -2.06 0.00 0.00 -2.00 0.00 0.00 55.36 51.30 3knm s GLN 84 Cb 0.00 -3.47 0.00 0.00 0.80 0.00 0.00 33.01 30.34 3knm s GLN 84 CO 0.00 -1.06 0.00 1.33 -0.50 0.00 0.00 175.29 175.06 3knm n VAL 85 N 4.12 0.00 -3.60 1.34 0.24 -1.26 -4.71 118.33 114.46 3knm n VAL 85 Ca 0.02 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.29 3knm n VAL 85 Cb 0.40 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.71 3knm n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knm s ALA 86 N -2.50 -2.21 0.43 2.33 0.00 0.39 -4.83 121.76 115.37 3knm s ALA 86 Ca 0.00 2.26 -0.24 0.00 0.00 0.00 0.00 51.96 53.98 3knm s ALA 86 Cb 0.00 -1.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 3knm s ALA 86 CO 0.00 -0.55 1.18 0.12 0.00 0.00 0.00 175.76 176.50 3knm s PHE 87 N 1.86 2.95 0.00 0.00 5.36 -1.26 -1.60 117.98 125.29 3knm s PHE 87 Ca -0.08 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 3knm s PHE 87 Cb -0.06 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.22 3knm s PHE 87 CO -0.17 -1.47 0.00 -3.47 -1.46 0.00 0.00 175.22 168.64 3knm n ASP 88 N -0.22 0.00 -1.88 6.13 4.64 -1.25 -4.82 116.55 119.15 3knm n ASP 88 Ca 0.06 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.47 3knm n ASP 88 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 3knm n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3knm n ARG 89 N 0.00 -4.51 0.00 -0.67 0.00 -1.26 -4.83 116.66 105.39 3knm n ARG 89 Ca 0.00 3.30 0.00 0.00 -0.00 0.00 0.00 57.85 61.15 3knm n ARG 89 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 32.46 28.82 3knm n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knm n GLY 90 N 1.55 -2.29 0.08 5.14 0.00 -1.26 -3.68 105.19 104.72 3knm n GLY 90 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.82 3knm n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3knm n PRO 91 N 0.00 0.02 0.00 1.61 -0.04 -1.26 -4.15 135.00 131.18 3knm n PRO 91 Ca 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3knm n PRO 91 Cb 0.00 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3knm n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3knm n TYR 92 N -1.48 0.00 -3.54 0.54 4.11 -1.24 -4.76 117.16 110.79 3knm n TYR 92 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.58 3knm n TYR 92 Cb 0.47 -0.07 0.03 0.00 -0.00 0.00 0.00 39.34 39.77 3knm n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3knm n LYS 93 N -0.50 -1.83 -1.17 -3.48 3.00 -1.26 -4.29 118.16 108.63 3knm n LYS 93 Ca 0.00 1.28 -0.31 0.00 -0.00 0.00 0.00 58.31 59.28 3knm n LYS 93 Cb 0.00 -2.45 -0.12 0.00 0.00 0.00 0.00 35.03 32.46 3knm n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 3knm n TYR 94 N -0.95 0.41 -3.79 5.64 9.36 -1.26 -4.74 117.16 121.83 3knm n TYR 94 Ca -0.14 0.28 -0.04 0.00 3.32 0.00 0.00 57.90 61.32 3knm n TYR 94 Cb 0.67 -1.77 0.02 0.00 -0.63 0.00 0.00 39.34 37.63 3knm n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 3knm n HIS 95 N 7.96 -1.43 0.00 2.98 -0.00 -1.26 -5.08 115.22 118.39 3knm n HIS 95 Ca 0.52 -1.17 0.00 0.00 0.46 0.00 0.00 57.72 57.52 3knm n HIS 95 Cb 0.03 0.58 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 3knm n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3knm n GLY 96 N -0.57 0.00 0.09 1.57 0.00 -1.26 -1.18 105.19 103.84 3knm n GLY 96 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3knm n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knm n ARG 97 N 0.00 0.00 -1.71 1.61 -4.01 -1.26 -4.70 116.66 106.59 3knm n ARG 97 Ca 0.00 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.38 3knm n ARG 97 Cb 0.00 -0.92 -0.03 0.00 -3.04 0.00 0.00 32.46 28.46 3knm n ARG 97 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 3knm n VAL 98 N -0.04 0.02 -3.40 8.89 0.31 -0.32 -4.86 118.33 118.91 3knm n VAL 98 Ca 0.00 -0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3knm n VAL 98 Cb 0.00 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 30.96 3knm n VAL 98 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3knm n LYS 99 N 3.97 3.30 -1.59 5.55 5.02 -1.26 -4.27 118.16 128.88 3knm n LYS 99 Ca 0.16 -4.50 -0.39 0.00 -2.02 0.00 0.00 58.31 51.56 3knm n LYS 99 Cb 0.34 -2.47 -0.02 0.00 -0.02 0.00 0.00 35.03 32.86 3knm n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knm n ALA 100 N 2.15 7.25 -1.77 7.82 0.00 -1.26 -4.57 120.51 130.13 3knm n ALA 100 Ca 0.24 -3.76 -0.39 0.00 0.00 0.00 0.00 53.44 49.53 3knm n ALA 100 Cb 0.37 -3.13 -0.01 0.00 0.00 0.00 0.00 19.45 16.68 3knm n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3knm s LEU 101 N -0.75 4.14 0.00 0.00 -0.00 -1.26 -4.68 118.68 116.13 3knm s LEU 101 Ca 0.63 2.52 0.00 0.00 -0.00 0.00 0.00 54.13 57.28 3knm s LEU 101 Cb 0.18 -4.03 0.00 0.00 -0.00 0.00 0.00 46.19 42.35 3knm s LEU 101 CO -0.07 -0.88 0.00 0.00 -0.00 0.00 0.00 176.35 175.40 3knm n ALA 102 N -0.09 0.00 -0.47 1.48 0.00 -1.26 -3.93 120.51 116.24 3knm n ALA 102 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3knm n ALA 102 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3knm n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knm n GLU 103 N 0.00 0.00 -0.83 0.00 -0.58 -1.26 -4.62 120.64 113.35 3knm n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knm n GLU 103 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3knm n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knm n GLY 104 N 0.00 0.00 0.17 0.62 0.00 -1.26 -4.59 105.19 100.13 3knm n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knm n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm n ALA 105 N -0.16 1.13 0.58 4.61 0.00 -1.07 -3.46 120.51 122.14 3knm n ALA 105 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3knm n ALA 105 Cb 0.00 -0.85 0.27 0.00 0.00 0.00 0.00 19.45 18.87 3knm n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knm n ARG 106 N -0.13 0.29 -2.09 0.00 0.00 0.35 -4.73 116.66 110.35 3knm n ARG 106 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3knm n ARG 106 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 30.97 3knm n ARG 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3knm n GLU 107 N -0.99 -4.34 0.00 -0.14 4.71 -1.22 -4.75 120.64 113.90 3knm n GLU 107 Ca 0.07 3.23 0.00 0.00 -0.01 0.00 0.00 57.16 60.44 3knm n GLU 107 Cb 0.03 -3.95 0.00 0.00 -1.01 0.00 0.00 31.44 26.51 3knm n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knm n GLY 108 N 1.52 0.03 0.00 0.62 0.00 -1.26 -4.94 105.19 101.16 3knm n GLY 108 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3knm n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93