#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s VAL 3 N 0.00 3.05 0.00 5.15 1.01 -1.26 -1.14 120.40 127.21 3knm s VAL 3 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3knm s VAL 3 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3knm s VAL 3 CO 0.00 -0.10 0.00 2.29 0.00 0.00 0.00 175.10 177.29 3knm n LYS 4 N 8.49 0.00 -1.72 2.72 2.85 -1.26 -5.13 118.16 124.11 3knm n LYS 4 Ca 0.44 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 57.27 3knm n LYS 4 Cb 0.45 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.81 3knm n LYS 4 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3knm n MET 5 N 0.00 2.48 -3.83 -1.58 2.81 -0.29 -4.87 117.12 111.84 3knm n MET 5 Ca 0.00 0.88 -0.07 0.00 -1.81 0.00 0.00 57.70 56.70 3knm n MET 5 Cb 0.20 -2.61 0.03 0.00 -0.71 0.00 0.00 33.22 30.13 3knm n MET 5 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3knm n HIS 6 N 1.86 -2.08 0.00 2.03 1.44 -1.26 -5.15 115.22 112.05 3knm n HIS 6 Ca 0.09 -1.70 0.00 0.00 -2.01 0.00 0.00 57.72 54.10 3knm n HIS 6 Cb 0.35 0.85 0.00 0.00 0.12 0.00 0.00 29.99 31.31 3knm n HIS 6 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3knm n VAL 7 N -0.60 0.00 -0.99 0.61 0.24 -1.26 -4.94 118.33 111.40 3knm n VAL 7 Ca -0.07 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.87 3knm n VAL 7 Cb 0.60 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 33.01 3knm n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3knm n LYS 8 N 0.00 -0.02 0.00 7.34 4.01 -1.26 -5.06 118.16 123.17 3knm n LYS 8 Ca 0.00 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3knm n LYS 8 Cb 0.00 -1.05 0.00 0.00 -0.51 0.00 0.00 35.03 33.47 3knm n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3knm n LYS 9 N 2.24 0.00 -1.19 1.97 2.85 -1.26 -5.02 118.16 117.75 3knm n LYS 9 Ca -0.01 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.04 3knm n LYS 9 Cb 0.57 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.91 3knm n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3knm n GLY 10 N 0.00 3.99 0.00 2.58 0.00 -1.26 -3.67 105.19 106.83 3knm n GLY 10 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3knm n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knm n ASP 11 N 0.99 0.00 -3.55 1.61 5.68 -1.26 -4.59 116.55 115.43 3knm n ASP 11 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.69 3knm n ASP 11 Cb 0.61 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.55 3knm n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3knm s THR 12 N 1.63 -0.90 0.00 2.12 2.01 -1.26 -2.09 115.64 117.15 3knm s THR 12 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3knm s THR 12 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3knm s THR 12 CO 0.00 0.00 0.00 1.33 -0.69 0.00 0.00 174.62 175.26 3knm n VAL 13 N 5.36 0.00 -3.29 3.82 0.24 0.28 -3.40 118.33 121.34 3knm n VAL 13 Ca -0.10 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.11 3knm n VAL 13 Cb 0.50 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 32.29 3knm n VAL 13 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3knm s LEU 14 N 0.00 -0.80 -0.16 1.34 2.96 0.12 -3.72 118.68 118.41 3knm s LEU 14 Ca 0.00 -0.71 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 3knm s LEU 14 Cb 0.00 1.19 -0.05 0.00 0.50 0.00 0.00 46.19 47.83 3knm s LEU 14 CO 0.00 -0.30 1.85 -0.69 -1.32 0.00 0.00 176.35 175.90 3knm s VAL 15 N 2.17 3.36 -0.63 1.68 1.01 -0.90 -2.12 120.40 124.98 3knm s VAL 15 Ca 0.12 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.58 3knm s VAL 15 Cb -0.11 -3.37 0.17 0.00 0.00 0.00 0.00 36.38 33.06 3knm s VAL 15 CO -0.19 -0.16 1.09 0.00 0.00 0.00 0.00 175.10 175.84 3knm n ALA 16 N 9.09 2.17 -1.00 5.51 0.00 0.47 0.00 120.51 136.75 3knm n ALA 16 Ca 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3knm n ALA 16 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.62 3knm n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knm n SER 17 N 0.18 0.00 0.00 0.00 2.88 -1.19 -4.78 113.62 110.72 3knm n SER 17 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3knm n SER 17 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3knm n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3knm n GLY 18 N 1.53 1.12 0.38 0.46 0.00 -1.26 -4.57 105.19 102.85 3knm n GLY 18 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3knm n GLY 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3knm n LYS 19 N 0.00 -0.38 -0.78 1.61 4.81 -1.26 0.28 118.16 122.44 3knm n LYS 19 Ca 0.00 1.40 -0.15 0.00 -0.87 0.00 0.00 58.31 58.69 3knm n LYS 19 Cb 0.00 -2.06 0.07 0.00 0.02 0.00 0.00 35.03 33.06 3knm n LYS 19 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3knm n TYR 20 N -5.19 1.69 -1.48 5.64 4.02 -1.26 -4.94 117.16 115.65 3knm n TYR 20 Ca 0.03 -1.59 -0.36 0.00 -0.01 0.00 0.00 57.90 55.97 3knm n TYR 20 Cb 0.26 -0.79 0.08 0.00 -0.02 0.00 0.00 39.34 38.87 3knm n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3knm n LYS 21 N -0.15 0.71 0.00 -0.72 3.00 0.80 -3.38 118.16 118.42 3knm n LYS 21 Ca 0.33 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 3knm n LYS 21 Cb 0.91 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.59 3knm n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3knm n GLY 22 N 0.99 1.16 3.78 3.14 0.00 0.10 -4.95 105.19 109.41 3knm n GLY 22 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3knm n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knm s ARG 23 N 0.00 4.19 -0.22 1.61 0.52 -1.22 -4.74 118.95 119.09 3knm s ARG 23 Ca 0.00 2.46 -0.10 0.00 -0.52 0.00 0.00 55.73 57.57 3knm s ARG 23 Cb 0.00 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 3knm s ARG 23 CO 0.00 -0.43 0.14 0.08 0.02 0.00 0.00 175.30 175.11 3knm s VAL 24 N -1.12 5.34 0.27 3.52 1.01 -1.26 -2.13 120.40 126.03 3knm s VAL 24 Ca 0.52 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.68 3knm s VAL 24 Cb -0.44 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3knm s VAL 24 CO 0.60 0.39 0.12 -0.83 0.00 0.00 0.00 175.10 175.38 3knm s GLY 25 N 0.74 1.83 0.00 4.51 0.00 -1.24 -5.00 107.32 108.15 3knm s GLY 25 Ca 0.07 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.99 3knm s GLY 25 CO 0.02 -1.57 0.00 1.17 0.00 0.00 0.00 173.10 172.72 3knm n LYS 26 N -0.49 1.77 -0.46 2.90 4.81 -1.26 -0.56 118.16 124.87 3knm n LYS 26 Ca 0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.30 3knm n LYS 26 Cb 0.66 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.71 3knm n LYS 26 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3knm n VAL 27 N -0.58 0.00 0.28 3.15 0.31 -0.89 -4.03 118.33 116.57 3knm n VAL 27 Ca 0.00 -0.19 0.03 0.00 -0.01 0.00 0.00 64.34 64.17 3knm n VAL 27 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3knm n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3knm n LYS 28 N 0.65 4.99 -3.19 5.55 0.00 -1.24 -2.58 118.16 122.33 3knm n LYS 28 Ca 0.02 -0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 58.10 3knm n LYS 28 Cb 0.19 -0.79 0.05 0.00 -0.00 0.00 0.00 35.03 34.48 3knm n LYS 28 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3knm n GLU 29 N -1.13 -5.66 -0.44 -1.58 4.71 -1.26 0.93 120.64 116.20 3knm n GLU 29 Ca 0.01 0.88 -0.15 0.00 -0.01 0.00 0.00 57.16 57.88 3knm n GLU 29 Cb 0.09 -5.79 -0.01 0.00 -1.01 0.00 0.00 31.44 24.72 3knm n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3knm n VAL 30 N -4.64 0.55 0.00 2.62 0.31 -1.26 -4.75 118.33 111.16 3knm n VAL 30 Ca -0.08 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3knm n VAL 30 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 3knm n VAL 30 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3knm n LEU 31 N 0.61 0.39 -0.50 7.52 7.99 -0.48 -5.02 117.00 127.50 3knm n LEU 31 Ca 0.06 0.01 0.06 0.00 -0.01 0.00 0.00 56.01 56.13 3knm n LEU 31 Cb 0.07 0.00 0.16 0.00 -0.11 0.00 0.00 43.42 43.54 3knm n LEU 31 CO 0.18 0.00 0.62 -0.81 -1.51 0.00 0.00 177.39 175.87 3knm n PRO 32 N -0.07 2.64 0.30 3.23 -0.04 -1.26 -4.97 135.00 134.83 3knm n PRO 32 Ca 0.00 -2.29 0.11 0.00 -0.04 0.00 0.00 63.50 61.28 3knm n PRO 32 Cb 0.00 -1.44 0.54 0.00 -0.04 0.00 0.00 33.50 32.56 3knm n PRO 32 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3knm h LYS 33 N 1.22 0.00 -0.09 0.54 1.57 -1.92 2.98 116.57 120.87 3knm h LYS 33 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3knm h LYS 33 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3knm h LYS 33 CO 0.07 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.12 3knm n LYS 34 N -2.82 1.98 -4.13 3.15 4.81 -1.26 -4.99 118.16 114.90 3knm n LYS 34 Ca 0.00 -2.55 -0.29 0.00 -0.87 0.00 0.00 58.31 54.60 3knm n LYS 34 Cb 0.63 -1.56 -0.08 0.00 0.02 0.00 0.00 35.03 34.04 3knm n LYS 34 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3knm n TYR 35 N -1.00 -1.14 -4.16 5.64 9.36 1.00 -4.87 117.16 121.99 3knm n TYR 35 Ca 0.16 0.51 -0.12 0.00 3.32 0.00 0.00 57.90 61.77 3knm n TYR 35 Cb 0.68 -2.51 -0.10 0.00 -0.63 0.00 0.00 39.34 36.78 3knm n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3knm s ALA 36 N -4.21 0.97 0.34 2.98 0.00 -1.26 -2.15 121.76 118.43 3knm s ALA 36 Ca 0.03 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3knm s ALA 36 Cb -0.02 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.15 3knm s ALA 36 CO 0.89 -0.15 0.07 0.14 0.00 0.00 0.00 175.76 176.71 3knm s VAL 37 N -3.02 1.11 0.00 0.00 -7.23 0.12 -1.38 120.40 110.00 3knm s VAL 37 Ca 0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3knm s VAL 37 Cb 0.01 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3knm s VAL 37 CO -0.03 0.00 0.00 -0.38 -0.31 0.00 0.00 175.10 174.38 3knm n ILE 38 N -0.73 0.00 0.00 -0.62 2.08 0.26 -3.03 119.36 117.33 3knm n ILE 38 Ca -0.03 0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.51 3knm n ILE 38 Cb 0.66 -1.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 3knm n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3knm n VAL 39 N -2.37 0.00 -1.07 1.39 0.31 -1.06 -4.15 118.33 111.38 3knm n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knm n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knm n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3knm n GLU 40 N 12.27 0.00 -1.52 5.55 -0.58 -1.26 -4.82 120.64 130.27 3knm n GLU 40 Ca 0.00 -0.25 -0.14 0.00 -0.42 0.00 0.00 57.16 56.35 3knm n GLU 40 Cb 0.00 -0.47 0.08 0.00 -0.57 0.00 0.00 31.44 30.49 3knm n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knm n GLY 41 N 0.00 0.11 2.95 0.62 0.00 -1.26 -4.80 105.19 102.80 3knm n GLY 41 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3knm n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knm n VAL 42 N -2.44 -1.50 -0.00 1.61 0.31 -1.26 -4.20 118.33 110.85 3knm n VAL 42 Ca 0.09 0.28 -0.00 0.00 -0.01 0.00 0.00 64.34 64.70 3knm n VAL 42 Cb 0.33 -2.61 -0.00 0.00 -0.91 0.00 0.00 33.84 30.65 3knm n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3knm n ASN 43 N 1.75 0.13 -1.99 4.52 4.13 -1.26 -0.31 115.26 122.23 3knm n ASN 43 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 3knm n ASN 43 Cb 0.28 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 3knm n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3knm n ILE 44 N -2.63-10.45 -0.82 2.41 5.41 -1.26 -4.28 119.36 107.74 3knm n ILE 44 Ca -0.01 2.77 -0.34 0.00 1.00 0.00 0.00 62.75 66.18 3knm n ILE 44 Cb 0.02 -4.42 0.11 0.00 -0.71 0.00 0.00 39.64 34.65 3knm n ILE 44 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3knm n VAL 45 N 1.74 0.00 0.00 1.39 0.31 -1.26 -4.19 118.33 116.32 3knm n VAL 45 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3knm n VAL 45 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3knm n VAL 45 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3knm n LYS 46 N -0.78 0.00 0.00 5.55 4.81 -1.26 -4.91 118.16 121.57 3knm n LYS 46 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3knm n LYS 46 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 3knm n LYS 46 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3knm n LYS 47 N 0.00 0.00 0.00 1.64 -0.00 -1.26 -5.16 118.16 113.38 3knm n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3knm n LYS 47 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3knm n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knm n ALA 48 N -3.00 0.00 -2.47 0.58 0.00 -1.26 -5.21 120.51 109.15 3knm n ALA 48 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3knm n ALA 48 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 3knm n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knm n VAL 49 N -0.39 1.84 0.00 0.00 0.31 -1.26 -5.38 118.33 113.45 3knm n VAL 49 Ca 0.00 -3.76 0.00 0.00 -0.01 0.00 0.00 64.34 60.57 3knm n VAL 49 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 3knm n VAL 49 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3knm n LYS 63 N -0.52 0.00 -1.02 5.55 5.02 -1.26 -5.40 118.16 120.53 3knm n LYS 63 Ca 0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.25 3knm n LYS 63 Cb 0.83 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 36.06 3knm n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3knm s GLU 64 N -2.40 -0.67 -0.29 1.97 8.01 -1.26 -4.31 118.70 119.76 3knm s GLU 64 Ca 0.00 0.25 -0.25 0.00 0.01 0.00 0.00 54.97 54.98 3knm s GLU 64 Cb 0.00 -1.63 0.14 0.00 -4.31 0.00 0.00 34.13 28.33 3knm s GLU 64 CO 0.00 -3.41 1.15 0.00 0.01 0.00 0.00 175.26 173.01 3knm s ALA 65 N -2.89 -2.05 0.00 5.21 0.00 0.58 -4.88 121.76 117.72 3knm s ALA 65 Ca 0.68 1.82 0.00 0.00 0.00 0.00 0.00 51.96 54.46 3knm s ALA 65 Cb -0.15 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3knm s ALA 65 CO 0.58 -0.20 0.00 -2.30 0.00 0.00 0.00 175.76 173.84 3knm n PRO 66 N 2.04 0.00 0.00 0.00 -0.02 -1.26 -4.72 135.00 131.04 3knm n PRO 66 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3knm n PRO 66 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3knm n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3knm n LEU 67 N 0.00 0.00 -4.70 2.45 7.94 -1.17 -4.74 117.00 116.79 3knm n LEU 67 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3knm n LEU 67 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3knm n LEU 67 CO 0.00 0.00 1.38 -2.28 -1.11 0.00 0.00 177.39 175.38 3knm s HIS 68 N 0.00 2.42 -0.80 1.96 5.65 -1.26 0.15 115.29 123.41 3knm s HIS 68 Ca 0.00 0.21 0.06 0.00 0.25 0.00 0.00 55.06 55.58 3knm s HIS 68 Cb 0.00 -4.07 0.31 0.00 -1.18 0.00 0.00 32.58 27.65 3knm s HIS 68 CO 0.00 -4.28 1.18 0.00 -0.65 0.00 0.00 174.74 170.99 3knm n ALA 69 N 5.29 1.04 1.53 1.58 0.00 -0.92 -1.16 120.51 127.87 3knm n ALA 69 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3knm n ALA 69 Cb 0.39 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.76 3knm n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3knm n SER 70 N -1.69 0.56 0.00 0.00 2.88 -1.26 -3.30 113.62 110.81 3knm n SER 70 Ca -0.00 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 3knm n SER 70 Cb 0.02 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 3knm n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3knm n LYS 71 N -0.24 3.12 -3.80 -1.46 5.02 -0.31 -4.97 118.16 115.52 3knm n LYS 71 Ca 0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 3knm n LYS 71 Cb 0.13 -0.92 -0.05 0.00 -0.02 0.00 0.00 35.03 34.17 3knm n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3knm s VAL 72 N -1.83 5.30 0.05 -0.18 -7.23 -1.21 -0.40 120.40 114.90 3knm s VAL 72 Ca 0.00 -0.09 0.06 0.00 -1.81 0.00 0.00 61.98 60.14 3knm s VAL 72 Cb 0.00 -3.60 -0.02 0.00 0.56 0.00 0.00 36.38 33.31 3knm s VAL 72 CO 0.00 0.19 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.68 3knm s ARG 73 N -2.29 1.10 0.00 4.82 0.52 -0.90 -4.85 118.95 117.34 3knm s ARG 73 Ca 0.34 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.69 3knm s ARG 73 Cb -0.13 -1.17 0.00 0.00 0.52 0.00 0.00 34.95 34.18 3knm s ARG 73 CO 0.23 0.29 0.00 -0.35 0.02 0.00 0.00 175.30 175.49 3knm n PRO 74 N 1.79 2.00 0.00 3.54 -0.04 -1.26 0.10 135.00 141.13 3knm n PRO 74 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3knm n PRO 74 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3knm n PRO 74 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3knm n ILE 75 N -0.38 0.00 0.00 0.52 3.06 -1.22 -2.63 119.36 118.72 3knm n ILE 75 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3knm n ILE 75 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3knm n ILE 75 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3knm n PRO 77 N -0.69 -0.98 -0.37 0.00 -0.02 -1.26 -4.36 135.00 127.33 3knm n PRO 77 Ca 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3knm n PRO 77 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3knm n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3knm n ALA 78 N -2.10 0.00 -2.38 3.55 0.00 -1.26 -4.38 120.51 113.94 3knm n ALA 78 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 3knm n ALA 78 Cb 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.52 3knm n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm n GLY 80 N 1.78 0.00 1.76 0.00 0.00 -1.08 -4.81 105.19 102.84 3knm n GLY 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3knm n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knm n LYS 81 N 0.00 -4.82 -0.95 1.61 5.02 -1.26 -4.02 118.16 113.74 3knm n LYS 81 Ca 0.00 3.47 -0.36 0.00 -2.02 0.00 0.00 58.31 59.40 3knm n LYS 81 Cb 0.00 -3.77 0.06 0.00 -0.02 0.00 0.00 35.03 31.30 3knm n LYS 81 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3knm n PRO 82 N 0.89 -0.16 -3.95 1.97 -0.02 -1.26 -4.71 135.00 127.76 3knm n PRO 82 Ca 0.00 -0.04 -0.25 0.00 -2.02 0.00 0.00 63.50 61.19 3knm n PRO 82 Cb 0.00 -1.14 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3knm n PRO 82 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3knm s THR 83 N -2.06 5.30 0.00 3.45 -1.32 -1.26 -3.91 115.64 115.83 3knm s THR 83 Ca 0.42 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3knm s THR 83 Cb -0.08 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 3knm s THR 83 CO 0.74 -0.13 0.00 0.54 -2.21 0.00 0.00 174.62 173.56 3knm n ARG 84 N -0.67 2.84 -3.79 7.08 5.12 -0.48 -4.98 116.66 121.78 3knm n ARG 84 Ca -0.07 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.75 3knm n ARG 84 Cb 0.54 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.80 3knm n ARG 84 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3knm s VAL 85 N 0.58 0.04 0.00 1.55 1.01 -1.26 -3.28 120.40 119.04 3knm s VAL 85 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3knm s VAL 85 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3knm s VAL 85 CO 0.00 -0.16 0.00 -1.14 0.00 0.00 0.00 175.10 173.80 3knm n ARG 86 N -0.31 0.04 0.00 2.72 0.63 -0.88 -4.68 116.66 114.18 3knm n ARG 86 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 3knm n ARG 86 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 3knm n ARG 86 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3knm n LYS 87 N 0.00 0.00 0.00 -0.14 2.85 -1.26 -4.76 118.16 114.85 3knm n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knm n LYS 87 Cb 0.00 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3knm n LYS 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3knm n LYS 88 N -2.45 0.00 -2.40 -1.58 4.01 -1.26 -2.41 118.16 112.07 3knm n LYS 88 Ca 0.00 0.00 -0.07 0.00 -0.51 0.00 0.00 58.31 57.73 3knm n LYS 88 Cb 0.00 -2.33 0.04 0.00 -0.51 0.00 0.00 35.03 32.22 3knm n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3knm n PHE 89 N -1.61 -1.19 0.00 2.13 7.35 -1.26 -4.78 117.46 118.10 3knm n PHE 89 Ca 0.00 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 3knm n PHE 89 Cb 0.00 -3.32 0.00 0.00 0.35 0.00 0.00 39.48 36.51 3knm n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3knm n LEU 90 N -2.37 0.00 0.00 -2.13 -0.00 -1.19 -5.12 117.00 106.19 3knm n LEU 90 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 3knm n LEU 90 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 3knm n LEU 90 CO 0.29 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 177.06 3knm n GLU 91 N 0.00 0.00 0.00 1.47 -0.58 -1.01 -5.18 120.64 115.34 3knm n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knm n GLU 91 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3knm n GLU 91 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3knm n ASN 92 N 0.00 0.00 -4.46 1.62 5.15 -1.21 -4.66 115.26 111.70 3knm n ASN 92 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 3knm n ASN 92 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 3knm n ASN 92 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3knm s GLY 93 N 0.00 1.70 -0.05 8.20 0.00 -1.26 -4.92 107.32 110.99 3knm s GLY 93 Ca 0.00 -1.57 -0.23 0.00 0.00 0.00 0.00 44.72 42.92 3knm s GLY 93 CO 0.00 -1.59 0.69 -1.59 0.00 0.00 0.00 173.10 170.61 3knm s LYS 94 N -2.61 4.43 0.07 2.90 -2.85 -1.26 -2.07 119.74 118.35 3knm s LYS 94 Ca 0.21 0.87 0.10 0.00 -1.00 0.00 0.00 55.97 56.15 3knm s LYS 94 Cb -0.08 -3.42 -0.03 0.00 -2.06 0.00 0.00 37.83 32.23 3knm s LYS 94 CO 0.11 0.13 -0.26 0.21 0.10 0.00 0.00 175.35 175.64 3knm s LYS 95 N 0.56 1.64 1.19 1.78 2.20 -1.21 -2.66 119.74 123.25 3knm s LYS 95 Ca 0.36 -1.17 -0.13 0.00 -0.36 0.00 0.00 55.97 54.67 3knm s LYS 95 Cb -0.18 -1.91 0.30 0.00 -1.51 0.00 0.00 37.83 34.53 3knm s LYS 95 CO 0.18 0.48 1.02 0.42 -0.36 0.00 0.00 175.35 177.09 3knm s ILE 96 N -0.89 2.00 -0.19 5.43 1.01 -1.24 -1.38 121.20 125.94 3knm s ILE 96 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.50 3knm s ILE 96 Cb -0.10 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3knm s ILE 96 CO 0.03 -0.00 0.92 -0.60 0.00 0.00 0.00 174.94 175.29 3knm s ARG 97 N -4.40 4.29 0.00 2.79 6.06 -1.25 -4.12 118.95 122.32 3knm s ARG 97 Ca 0.69 1.16 0.00 0.00 -2.50 0.00 0.00 55.73 55.08 3knm s ARG 97 Cb -0.26 -3.60 0.00 0.00 0.06 0.00 0.00 34.95 31.16 3knm s ARG 97 CO 0.65 -0.44 0.00 0.28 -2.50 0.00 0.00 175.30 173.30 3knm n VAL 98 N 4.94 0.00 0.00 7.11 0.31 -1.26 -4.87 118.33 124.55 3knm n VAL 98 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3knm n VAL 98 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 3knm n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knm s ALA 100 N -2.26 -3.68 0.00 0.00 0.00 -1.26 -4.34 121.76 110.22 3knm s ALA 100 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3knm s ALA 100 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3knm s ALA 100 CO 0.00 -1.83 0.00 1.17 0.00 0.00 0.00 175.76 175.10 3knm n LYS 101 N 5.27 0.00 0.00 0.00 4.81 -1.09 -4.70 118.16 122.45 3knm n LYS 101 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3knm n LYS 101 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 3knm n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57