#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh n ARG 3 N 0.00 0.71 0.00 0.00 0.63 -1.26 -4.73 116.66 112.00 3knh n ARG 3 Ca 0.00 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3knh n ARG 3 Cb 0.00 -1.68 0.00 0.00 0.45 0.00 0.00 32.46 31.23 3knh n ARG 3 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3knh n ARG 4 N -3.28 0.00 -3.88 -0.14 1.74 -1.26 -4.94 116.66 104.91 3knh n ARG 4 Ca -0.31 0.40 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 3knh n ARG 4 Cb 1.05 -0.89 -0.07 0.00 -1.02 0.00 0.00 32.46 31.53 3knh n ARG 4 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3knh s ARG 5 N -0.89 3.57 -0.63 5.56 3.00 -1.26 -5.01 118.95 123.29 3knh s ARG 5 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 55.73 55.30 3knh s ARG 5 Cb 0.00 -3.21 -0.11 0.00 0.00 0.00 0.00 34.95 31.63 3knh s ARG 5 CO 0.00 0.67 2.44 -2.13 0.00 0.00 0.00 175.30 176.28 3knh n ARG 6 N 2.32 0.79 -0.42 3.54 0.63 -1.26 -4.82 116.66 117.44 3knh n ARG 6 Ca -0.19 -0.21 -0.16 0.00 -0.92 0.00 0.00 57.85 56.37 3knh n ARG 6 Cb 0.54 -3.25 0.01 0.00 0.45 0.00 0.00 32.46 30.21 3knh n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh n ALA 7 N 15.80 -2.99 -3.14 5.13 0.00 -1.26 -4.97 120.51 129.08 3knh n ALA 7 Ca 0.43 -0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3knh n ALA 7 Cb 0.46 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 3knh n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3knh s GLU 8 N -0.84 3.60 -0.45 0.00 2.02 -1.26 -5.07 118.70 116.69 3knh s GLU 8 Ca 0.16 -0.53 -0.28 0.00 0.02 0.00 0.00 54.97 54.34 3knh s GLU 8 Cb -0.00 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 3knh s GLU 8 CO 0.31 -0.03 1.69 0.08 0.02 0.00 0.00 175.26 177.32 3knh s VAL 9 N 1.12 3.57 0.43 2.63 1.01 -1.26 -4.94 120.40 122.96 3knh s VAL 9 Ca 0.03 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 3knh s VAL 9 Cb -0.14 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3knh s VAL 9 CO 0.01 -0.71 1.44 -1.14 0.00 0.00 0.00 175.10 174.71 3knh n ARG 10 N 8.59 2.35 -1.08 2.72 0.63 -1.26 -5.00 116.66 123.61 3knh n ARG 10 Ca 0.20 0.83 -0.20 0.00 -0.92 0.00 0.00 57.85 57.76 3knh n ARG 10 Cb 0.49 -2.64 0.15 0.00 0.45 0.00 0.00 32.46 30.91 3knh n ARG 10 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3knh n GLN 11 N -0.03 -1.36 -3.15 -0.14 -0.06 -1.26 -5.10 117.38 106.28 3knh n GLN 11 Ca 0.04 -1.30 0.04 0.00 -2.00 0.00 0.00 57.00 53.78 3knh n GLN 11 Cb 0.41 -0.97 -0.00 0.00 -4.06 0.00 0.00 30.24 25.62 3knh n GLN 11 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3knh s LEU 12 N 0.00 -1.34 -0.03 1.69 1.43 -1.26 -5.13 118.68 114.04 3knh s LEU 12 Ca 0.49 0.18 -0.40 0.00 -1.03 0.00 0.00 54.13 53.37 3knh s LEU 12 Cb -0.02 1.86 -0.20 0.00 0.03 0.00 0.00 46.19 47.86 3knh s LEU 12 CO 0.36 -0.25 1.14 1.67 0.23 0.00 0.00 176.35 179.50 3knh n GLN 13 N 5.35 0.13 0.00 1.70 7.27 -1.26 -4.66 117.38 125.90 3knh n GLN 13 Ca 0.06 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3knh n GLN 13 Cb 0.55 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.64 3knh n GLN 13 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3knh n PRO 14 N 1.81 0.47 -2.92 3.69 -0.02 -1.26 -4.82 135.00 131.95 3knh n PRO 14 Ca 0.21 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 3knh n PRO 14 Cb 0.08 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.51 3knh n PRO 14 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3knh s ASP 15 N -2.02 6.75 -0.32 2.55 3.68 -1.17 -4.64 116.67 121.50 3knh s ASP 15 Ca 0.00 1.38 0.09 0.00 2.13 0.00 0.00 52.55 56.15 3knh s ASP 15 Cb 0.00 -2.42 0.71 0.00 -1.45 0.00 0.00 42.92 39.76 3knh s ASP 15 CO 0.00 -0.33 1.76 0.18 0.13 0.00 0.00 175.17 176.92 3knh n LEU 16 N -0.76 5.96 0.09 -1.34 4.77 -1.26 -2.17 117.00 122.29 3knh n LEU 16 Ca 0.04 -3.10 0.00 0.00 -0.03 0.00 0.00 56.01 52.92 3knh n LEU 16 Cb 0.54 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3knh n LEU 16 CO 0.42 0.79 0.00 0.52 -1.33 0.00 0.00 177.39 177.80 3knh n VAL 17 N -0.16 0.00 -0.32 4.08 0.31 -1.26 -4.86 118.33 116.11 3knh n VAL 17 Ca 0.40 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.84 3knh n VAL 17 Cb 1.36 -0.26 0.29 0.00 -0.91 0.00 0.00 33.84 34.32 3knh n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3knh n TYR 18 N -3.07 0.88 -3.56 3.52 4.02 -1.26 -4.98 117.16 112.70 3knh n TYR 18 Ca 0.00 -0.49 -0.21 0.00 -0.01 0.00 0.00 57.90 57.19 3knh n TYR 18 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3knh n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knh n GLY 19 N 1.45 -1.05 2.85 2.72 0.00 -0.92 -4.78 105.19 105.46 3knh n GLY 19 Ca 0.22 0.48 -0.26 0.00 0.00 0.00 0.00 46.02 46.46 3knh n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knh s ASP 20 N -2.82 2.30 0.46 1.61 -1.08 -1.26 -4.39 116.67 111.49 3knh s ASP 20 Ca 0.01 -0.41 0.29 0.00 -0.52 0.00 0.00 52.55 51.92 3knh s ASP 20 Cb -0.01 -0.74 1.36 0.00 -1.46 0.00 0.00 42.92 42.08 3knh s ASP 20 CO 0.72 -0.18 1.72 0.58 0.52 0.00 0.00 175.17 178.54 3knh h VAL 21 N 6.31 0.34 0.10 1.11 2.07 -1.88 -2.52 116.25 121.78 3knh h VAL 21 Ca -0.24 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 3knh h VAL 21 Cb 1.12 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3knh h VAL 21 CO 0.36 0.03 -0.05 0.25 0.02 0.00 0.00 177.57 178.18 3knh h LEU 22 N 0.17 -0.12 -0.19 2.57 5.85 -1.93 -3.36 115.31 118.30 3knh h LEU 22 Ca 0.68 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.42 3knh h LEU 22 Cb 2.19 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 43.23 3knh h LEU 22 CO -0.23 -0.04 -0.11 0.52 -0.34 0.00 0.00 178.44 178.23 3knh n VAL 23 N -2.60 -0.13 -0.31 1.05 0.31 -0.96 -0.07 118.33 115.62 3knh n VAL 23 Ca -0.02 0.83 -0.05 0.00 -0.01 0.00 0.00 64.34 65.09 3knh n VAL 23 Cb 0.06 -1.06 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 3knh n VAL 23 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3knh n THR 24 N -3.34 -0.47 -0.30 2.52 -1.04 -1.23 0.17 114.28 110.59 3knh n THR 24 Ca 0.00 1.82 0.13 0.00 -2.04 0.00 0.00 64.05 63.96 3knh n THR 24 Cb 0.05 -2.31 0.29 0.00 -1.82 0.00 0.00 70.33 66.54 3knh n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knh h ALA 25 N 0.66 1.23 -0.06 2.41 0.00 -0.63 1.51 119.26 124.38 3knh h ALA 25 Ca 0.18 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 3knh h ALA 25 Cb 0.37 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3knh h ALA 25 CO -0.73 -0.51 -0.34 0.35 0.00 0.00 0.00 179.25 178.01 3knh h PHE 26 N 0.13 0.12 0.26 0.00 3.57 0.18 -2.74 116.94 118.46 3knh h PHE 26 Ca 0.56 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 3knh h PHE 26 Cb 1.15 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.86 3knh h PHE 26 CO -0.33 0.44 -0.13 0.82 -2.23 0.00 0.00 178.31 176.88 3knh h ILE 27 N 0.10 0.70 -1.76 1.41 2.04 0.30 -3.11 117.51 117.19 3knh h ILE 27 Ca 0.01 -0.81 0.52 0.00 1.00 0.00 0.00 64.86 65.58 3knh h ILE 27 Cb 0.65 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 3knh h ILE 27 CO 0.05 0.15 1.25 0.78 0.00 0.00 0.00 178.15 180.38 3knh h ASN 28 N -0.83 0.03 0.70 1.72 2.35 0.59 3.41 115.58 123.56 3knh h ASN 28 Ca -0.04 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3knh h ASN 28 Cb 0.51 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3knh h ASN 28 CO 0.06 -0.02 -0.19 0.29 -1.65 0.00 0.00 177.43 175.92 3knh n LYS 29 N -4.07 0.14 0.08 0.81 4.76 -1.11 -2.90 118.16 115.86 3knh n LYS 29 Ca 0.40 -0.04 0.10 0.00 -2.87 0.00 0.00 58.31 55.90 3knh n LYS 29 Cb 1.81 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 33.47 3knh n LYS 29 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3knh n ILE 30 N -1.39 0.60 -2.17 -0.18 2.08 1.13 -4.81 119.36 114.61 3knh n ILE 30 Ca 0.08 -0.56 -0.33 0.00 0.56 0.00 0.00 62.75 62.50 3knh n ILE 30 Cb 0.32 -0.33 -0.04 0.00 -0.75 0.00 0.00 39.64 38.84 3knh n ILE 30 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 3knh s MET 31 N -3.33 2.80 0.26 0.38 1.75 -0.74 -4.74 119.30 115.68 3knh s MET 31 Ca -0.02 -0.18 -0.16 0.00 -1.25 0.00 0.00 55.69 54.08 3knh s MET 31 Cb 0.10 -4.85 -0.08 0.00 2.84 0.00 0.00 34.83 32.83 3knh s MET 31 CO 0.81 -2.91 0.69 0.50 -0.65 0.00 0.00 175.02 173.46 3knh s ARG 32 N 6.58 4.05 -0.56 4.11 3.52 -1.26 -3.75 118.95 131.63 3knh s ARG 32 Ca 0.62 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.88 3knh s ARG 32 Cb -0.07 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 3knh s ARG 32 CO 0.05 0.28 0.00 -0.25 -0.81 0.00 0.00 175.30 174.57 3knh n ASP 33 N 0.12 -1.54 -3.04 -2.12 8.00 -1.26 -2.73 116.55 113.98 3knh n ASP 33 Ca 0.00 0.16 -0.16 0.00 0.71 0.00 0.00 54.79 55.51 3knh n ASP 33 Cb 0.52 -1.68 0.02 0.00 -0.02 0.00 0.00 41.12 39.96 3knh n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knh n GLY 34 N -0.17 -1.10 2.31 0.44 0.00 -1.25 -4.99 105.19 100.44 3knh n GLY 34 Ca -0.06 1.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.84 3knh n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knh n LYS 35 N -0.11 0.47 -0.17 1.61 5.02 -1.11 -5.00 118.16 118.87 3knh n LYS 35 Ca 0.05 -3.12 -0.02 0.00 -2.02 0.00 0.00 58.31 53.20 3knh n LYS 35 Cb 0.49 -1.43 0.08 0.00 -0.02 0.00 0.00 35.03 34.14 3knh n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3knh h LYS 36 N 4.76 0.30 -0.47 1.97 3.64 -1.94 -1.09 116.57 123.73 3knh h LYS 36 Ca 0.15 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 3knh h LYS 36 Cb 0.90 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 3knh h LYS 36 CO 0.40 0.20 0.74 -0.97 -2.27 0.00 0.00 179.45 177.55 3knh h ASN 37 N 0.31 0.00 0.00 4.20 -1.24 -2.01 -1.44 115.58 115.39 3knh h ASN 37 Ca 0.26 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.24 3knh h ASN 37 Cb 0.33 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3knh h ASN 37 CO -0.30 0.00 -0.55 0.25 -1.29 0.00 0.00 177.43 175.53 3knh h LEU 38 N 0.00 0.00 0.00 0.34 5.85 -1.64 -3.35 115.31 116.51 3knh h LEU 38 Ca 0.22 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3knh h LEU 38 Cb 1.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.73 3knh h LEU 38 CO -0.00 0.85 0.23 0.00 -0.34 0.00 0.00 178.44 179.18 3knh n ALA 39 N -3.47 0.47 -0.04 1.25 0.00 -0.59 -0.01 120.51 118.12 3knh n ALA 39 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 3knh n ALA 39 Cb 0.30 -0.43 -0.00 0.00 0.00 0.00 0.00 19.45 19.32 3knh n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh h ALA 40 N 0.85 0.00 -1.24 0.00 0.00 -1.59 -3.25 119.26 114.03 3knh h ALA 40 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3knh h ALA 40 Cb 0.46 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3knh h ALA 40 CO 0.00 0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.95 3knh n ARG 41 N -3.85 0.00 -0.28 0.00 1.74 0.98 0.10 116.66 115.36 3knh n ARG 41 Ca -0.02 0.75 0.23 0.00 -0.77 0.00 0.00 57.85 58.03 3knh n ARG 41 Cb 0.08 -1.23 0.42 0.00 -1.02 0.00 0.00 32.46 30.71 3knh n ARG 41 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3knh n ILE 42 N -2.10 -0.36 -0.03 0.55 5.41 -1.11 0.29 119.36 122.01 3knh n ILE 42 Ca 0.00 1.77 -0.14 0.00 1.00 0.00 0.00 62.75 65.38 3knh n ILE 42 Cb 0.00 -2.78 -0.11 0.00 -0.71 0.00 0.00 39.64 36.05 3knh n ILE 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3knh h PHE 43 N 0.00 0.08 0.00 1.39 3.04 -0.37 -2.85 116.94 118.23 3knh h PHE 43 Ca 0.66 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.53 3knh h PHE 43 Cb 1.64 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.13 3knh h PHE 43 CO -0.14 0.70 -0.19 1.88 -2.02 0.00 0.00 178.31 178.54 3knh h TYR 44 N -0.56 0.00 -0.72 0.41 0.99 0.24 -2.95 116.97 114.39 3knh h TYR 44 Ca -0.00 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.67 3knh h TYR 44 Cb 0.70 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.40 3knh h TYR 44 CO 0.15 0.19 0.24 -0.44 -0.00 0.00 0.00 178.16 178.29 3knh h ASP 45 N 0.00 1.04 1.09 3.88 3.45 0.42 -2.32 116.42 123.99 3knh h ASP 45 Ca -0.00 -0.20 -0.19 0.00 0.43 0.00 0.00 57.03 57.07 3knh h ASP 45 Cb 0.94 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 3knh h ASP 45 CO 0.02 0.97 -0.91 0.00 -1.57 0.00 0.00 179.24 177.75 3knh h ALA 46 N 1.11 0.42 0.00 3.45 0.00 -1.49 -3.08 119.26 119.67 3knh h ALA 46 Ca 0.23 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 3knh h ALA 46 Cb 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3knh h ALA 46 CO -0.01 1.13 -0.03 0.00 0.00 0.00 0.00 179.25 180.34 3knh h LYS 48 N 0.00 0.63 0.00 0.00 3.64 -1.34 -2.78 116.57 116.72 3knh h LYS 48 Ca -0.00 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3knh h LYS 48 Cb 0.06 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3knh h LYS 48 CO 0.00 1.03 0.00 -0.89 -2.27 0.00 0.00 179.45 177.33 3knh n ILE 49 N -3.96 0.34 -0.06 2.00 2.08 0.26 -1.74 119.36 118.28 3knh n ILE 49 Ca -0.04 0.09 -0.05 0.00 0.56 0.00 0.00 62.75 63.31 3knh n ILE 49 Cb 0.63 -0.70 -0.03 0.00 -0.75 0.00 0.00 39.64 38.78 3knh n ILE 49 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3knh h ILE 50 N 0.00 0.38 -0.66 1.39 1.08 -0.34 -1.18 117.51 118.17 3knh h ILE 50 Ca 0.00 -1.31 0.12 0.00 -0.39 0.00 0.00 64.86 63.28 3knh h ILE 50 Cb 0.27 0.74 -0.09 0.00 -3.07 0.00 0.00 36.82 34.68 3knh h ILE 50 CO 0.00 0.13 0.21 1.56 -0.69 0.00 0.00 178.15 179.36 3knh h GLN 51 N -1.00 0.35 0.00 2.37 1.08 -1.57 -1.94 115.11 114.39 3knh h GLN 51 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3knh h GLN 51 Cb 0.34 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3knh h GLN 51 CO -0.01 0.23 0.00 0.39 -0.95 0.00 0.00 178.83 178.49 3knh n GLU 52 N -5.06 0.00 0.00 1.46 -0.58 -0.71 -3.15 120.64 112.60 3knh n GLU 52 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 3knh n GLU 52 Cb 0.35 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.76 3knh n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3knh n LYS 53 N 0.00 0.00 0.00 3.49 5.02 -0.45 -4.55 118.16 121.68 3knh n LYS 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3knh n LYS 53 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3knh n LYS 53 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3knh n THR 54 N 0.02 0.00 0.76 -0.18 5.66 -0.73 -4.96 114.28 114.85 3knh n THR 54 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 3knh n THR 54 Cb 0.00 0.00 0.41 0.00 -1.55 0.00 0.00 70.33 69.19 3knh n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3knh n GLY 55 N -0.24 -0.90 3.70 1.09 0.00 -1.25 -3.49 105.19 104.09 3knh n GLY 55 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3knh n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knh s GLN 56 N -2.67 4.13 0.06 1.61 -1.52 -1.26 -4.89 119.66 115.13 3knh s GLN 56 Ca 0.14 2.60 -0.30 0.00 -1.95 0.00 0.00 55.36 55.85 3knh s GLN 56 Cb 0.11 -3.37 -0.05 0.00 -0.22 0.00 0.00 33.01 29.49 3knh s GLN 56 CO 0.27 -0.80 1.00 -1.21 -0.25 0.00 0.00 175.29 174.30 3knh s GLU 57 N 2.06 4.61 0.00 2.91 2.02 -1.26 -3.64 118.70 125.40 3knh s GLU 57 Ca 0.78 1.48 0.00 0.00 0.02 0.00 0.00 54.97 57.25 3knh s GLU 57 Cb -0.47 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.35 3knh s GLU 57 CO 0.34 0.04 0.00 -2.30 0.02 0.00 0.00 175.26 173.37 3knh n PRO 58 N 3.37 0.00 -0.30 0.39 -0.02 -1.26 -1.81 135.00 135.37 3knh n PRO 58 Ca 0.05 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.56 3knh n PRO 58 Cb 0.50 -0.02 0.11 0.00 -0.02 0.00 0.00 33.50 34.07 3knh n PRO 58 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3knh h LEU 59 N 0.00 -0.76 -2.16 2.45 6.46 -1.98 0.85 115.31 120.17 3knh h LEU 59 Ca 0.00 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 3knh h LEU 59 Cb 0.00 0.51 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 3knh h LEU 59 CO 0.00 -0.28 0.17 0.50 -0.62 0.00 0.00 178.44 178.21 3knh h LYS 60 N 0.00 0.00 0.00 1.25 1.63 -1.97 0.49 116.57 117.98 3knh h LYS 60 Ca 0.41 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.99 3knh h LYS 60 Cb 0.63 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 3knh h LYS 60 CO -0.86 0.00 -1.20 0.28 -3.45 0.00 0.00 179.45 174.22 3knh h VAL 61 N 0.00 0.94 0.11 2.00 2.07 0.14 -3.29 116.25 118.22 3knh h VAL 61 Ca 0.00 -2.18 0.02 0.00 0.82 0.00 0.00 66.70 65.36 3knh h VAL 61 Cb 0.33 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 3knh h VAL 61 CO 0.00 0.32 -0.48 0.15 0.02 0.00 0.00 177.57 177.58 3knh h PHE 62 N -1.00 -1.38 -0.09 1.57 3.57 0.91 0.24 116.94 120.77 3knh h PHE 62 Ca -0.33 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.21 3knh h PHE 62 Cb 1.29 0.59 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 3knh h PHE 62 CO 0.10 -0.56 -0.08 -0.22 -2.23 0.00 0.00 178.31 175.32 3knh h LYS 63 N -0.70 -0.04 -0.72 1.11 1.63 -0.33 0.59 116.57 118.10 3knh h LYS 63 Ca 0.01 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.97 3knh h LYS 63 Cb 0.73 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.25 3knh h LYS 63 CO -0.28 -0.03 0.07 0.37 -3.45 0.00 0.00 179.45 176.13 3knh h GLN 64 N -0.04 0.16 -0.71 1.90 5.75 -1.60 0.31 115.11 120.88 3knh h GLN 64 Ca 0.01 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 3knh h GLN 64 Cb 0.08 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.52 3knh h GLN 64 CO -0.10 0.10 0.32 0.00 -2.65 0.00 0.00 178.83 176.50 3knh h ALA 65 N 1.65 0.97 0.78 3.38 0.00 0.11 -0.21 119.26 125.93 3knh h ALA 65 Ca 0.40 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 3knh h ALA 65 Cb 0.69 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3knh h ALA 65 CO -0.58 -0.12 -0.37 0.28 0.00 0.00 0.00 179.25 178.46 3knh h VAL 66 N 0.53 0.01 0.00 0.00 2.07 0.39 -3.17 116.25 116.08 3knh h VAL 66 Ca 0.36 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3knh h VAL 66 Cb 0.44 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3knh h VAL 66 CO -0.31 0.00 -0.01 -0.08 0.02 0.00 0.00 177.57 177.19 3knh h GLU 67 N -1.28 0.00 0.00 1.57 4.57 -1.15 0.15 114.58 118.45 3knh h GLU 67 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3knh h GLU 67 Cb 0.80 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 3knh h GLU 67 CO 0.18 0.01 0.00 -1.71 -1.18 0.00 0.00 179.01 176.31 3knh n ASN 68 N -3.90 0.00 -0.01 1.04 5.15 -0.10 -2.53 115.26 114.90 3knh n ASN 68 Ca -0.03 -0.45 0.01 0.00 -0.60 0.00 0.00 54.58 53.51 3knh n ASN 68 Cb 0.10 -0.12 -0.01 0.00 -0.53 0.00 0.00 39.78 39.22 3knh n ASN 68 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3knh n VAL 69 N -1.12 0.00 -2.23 3.44 0.31 0.51 -4.88 118.33 114.35 3knh n VAL 69 Ca 0.15 -0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 63.59 3knh n VAL 69 Cb 0.13 1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 34.04 3knh n VAL 69 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3knh s LYS 70 N -1.01 3.59 -0.38 5.55 1.02 -1.03 -4.45 119.74 123.03 3knh s LYS 70 Ca 0.01 1.21 -0.27 0.00 0.02 0.00 0.00 55.97 56.94 3knh s LYS 70 Cb 0.01 -4.05 -0.06 0.00 -0.52 0.00 0.00 37.83 33.22 3knh s LYS 70 CO 0.07 -1.54 2.26 -1.25 -0.92 0.00 0.00 175.35 173.97 3knh s PRO 71 N 4.98 2.62 0.27 -1.68 0.04 -1.26 -4.87 135.00 135.11 3knh s PRO 71 Ca 0.67 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 3knh s PRO 71 Cb -0.18 -4.46 0.60 0.00 0.04 0.00 0.00 34.50 30.50 3knh s PRO 71 CO 0.31 -2.69 1.62 -0.09 0.04 0.00 0.00 177.00 176.20 3knh h ARG 72 N 17.08 0.11 -4.27 4.56 9.65 -1.90 -3.43 114.38 136.17 3knh h ARG 72 Ca -0.32 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.41 3knh h ARG 72 Cb 1.24 -0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.65 3knh h ARG 72 CO 1.07 0.07 -0.62 -1.64 2.80 0.00 0.00 179.97 181.65 3knh s MET 73 N -6.03 0.80 0.36 0.20 -1.94 -1.26 -3.98 119.30 107.44 3knh s MET 73 Ca -0.13 -1.29 -0.02 0.00 -1.71 0.00 0.00 55.69 52.54 3knh s MET 73 Cb 0.25 0.24 0.01 0.00 2.01 0.00 0.00 34.83 37.34 3knh s MET 73 CO 0.77 -0.21 0.49 -1.83 -0.01 0.00 0.00 175.02 174.23 3knh s GLU 74 N -3.97 1.97 -0.08 2.03 -1.05 0.71 -4.65 118.70 113.66 3knh s GLU 74 Ca 0.15 -1.80 0.02 0.00 -0.15 0.00 0.00 54.97 53.19 3knh s GLU 74 Cb 0.07 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.19 3knh s GLU 74 CO -0.04 -0.82 -0.14 0.14 0.95 0.00 0.00 175.26 175.35 3knh s VAL 75 N -2.93 3.06 -0.06 1.83 -7.23 -1.26 0.12 120.40 113.93 3knh s VAL 75 Ca 0.31 -0.70 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 3knh s VAL 75 Cb -0.01 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.73 3knh s VAL 75 CO 0.21 0.57 0.04 -0.13 -0.31 0.00 0.00 175.10 175.48 3knh s ARG 76 N -0.31 0.21 0.42 4.82 0.52 -0.04 -4.94 118.95 119.64 3knh s ARG 76 Ca 0.03 0.26 -0.25 0.00 -0.52 0.00 0.00 55.73 55.25 3knh s ARG 76 Cb -0.13 -0.72 -0.08 0.00 0.52 0.00 0.00 34.95 34.54 3knh s ARG 76 CO 0.03 -0.33 1.20 0.45 0.02 0.00 0.00 175.30 176.67 3knh s SER 77 N 2.09 6.32 -0.12 0.23 0.15 -1.26 -2.62 113.70 118.48 3knh s SER 77 Ca 0.05 2.41 0.02 0.00 0.70 0.00 0.00 55.95 59.13 3knh s SER 77 Cb -0.12 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 3knh s SER 77 CO -0.04 -0.82 -0.16 -0.60 1.20 0.00 0.00 173.24 172.82 3knh s ARG 78 N -2.43 2.36 -0.15 5.44 6.06 -1.07 -4.91 118.95 124.25 3knh s ARG 78 Ca 0.60 -0.61 -0.29 0.00 -2.50 0.00 0.00 55.73 52.93 3knh s ARG 78 Cb -0.32 -2.02 -0.02 0.00 0.06 0.00 0.00 34.95 32.65 3knh s ARG 78 CO 0.40 -0.09 1.39 0.50 -2.50 0.00 0.00 175.30 175.00 3knh s ARG 79 N 1.07 4.16 -0.03 5.12 3.00 -1.26 -3.52 118.95 127.49 3knh s ARG 79 Ca -0.04 1.76 -0.02 0.00 -1.00 0.00 0.00 55.73 56.44 3knh s ARG 79 Cb -0.15 -3.85 -0.01 0.00 0.00 0.00 0.00 34.95 30.95 3knh s ARG 79 CO -0.04 -0.82 -0.03 0.28 0.00 0.00 0.00 175.30 174.70 3knh h VAL 80 N 5.60 0.00 0.00 7.11 2.07 -1.84 -3.50 116.25 125.69 3knh h VAL 80 Ca -0.30 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3knh h VAL 80 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3knh h VAL 80 CO 0.97 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.17 3knh n GLY 81 N 1.76 2.67 0.00 2.17 0.00 -1.26 -4.92 105.19 105.60 3knh n GLY 81 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3knh n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knh n GLY 82 N 0.00 2.46 0.00 -0.02 0.00 -1.26 -4.98 105.19 101.39 3knh n GLY 82 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3knh n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh n ALA 83 N 0.00 0.00 -3.39 4.61 0.00 -1.26 -5.12 120.51 115.35 3knh n ALA 83 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3knh n ALA 83 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3knh n ALA 83 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3knh s ASN 84 N 0.54 1.93 0.34 0.00 0.01 -1.26 -2.45 114.94 114.05 3knh s ASN 84 Ca 0.00 -2.37 -0.27 0.00 -0.71 0.00 0.00 52.86 49.51 3knh s ASN 84 Cb 0.00 -0.15 -0.09 0.00 0.41 0.00 0.00 41.25 41.42 3knh s ASN 84 CO 0.00 -0.24 1.17 -0.31 -1.51 0.00 0.00 177.10 176.21 3knh s TYR 85 N 0.77 3.24 -0.54 2.20 4.12 -1.23 -4.88 117.35 121.03 3knh s TYR 85 Ca 0.24 1.57 -0.19 0.00 0.02 0.00 0.00 57.07 58.71 3knh s TYR 85 Cb -0.11 -3.42 0.08 0.00 -1.52 0.00 0.00 41.96 36.99 3knh s TYR 85 CO -0.07 -1.17 0.64 -0.65 0.02 0.00 0.00 175.55 174.32 3knh s GLN 86 N -1.90 3.08 -0.12 -0.62 -0.21 -1.26 -2.61 119.66 116.02 3knh s GLN 86 Ca 0.51 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.49 3knh s GLN 86 Cb -0.33 -4.17 -0.02 0.00 1.00 0.00 0.00 33.01 29.49 3knh s GLN 86 CO 0.42 -1.34 1.14 0.08 -2.12 0.00 0.00 175.29 173.48 3knh s VAL 87 N 2.58 4.45 0.65 1.09 1.01 -1.08 -4.80 120.40 124.31 3knh s VAL 87 Ca 0.13 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.71 3knh s VAL 87 Cb -0.22 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 3knh s VAL 87 CO 0.09 -0.06 1.10 -2.16 0.00 0.00 0.00 175.10 174.07 3knh s PRO 88 N 2.60 2.89 -0.02 2.72 0.04 -1.26 -0.86 135.00 141.10 3knh s PRO 88 Ca 0.52 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 3knh s PRO 88 Cb -0.21 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.48 3knh s PRO 88 CO 0.17 -1.17 1.26 0.00 0.04 0.00 0.00 177.00 177.30 3knh s MET 89 N -4.15 0.43 0.52 4.56 0.23 0.33 -4.76 119.30 116.46 3knh s MET 89 Ca 0.66 -0.23 -0.20 0.00 -1.03 0.00 0.00 55.69 54.88 3knh s MET 89 Cb -0.19 0.15 -0.06 0.00 -1.53 0.00 0.00 34.83 33.20 3knh s MET 89 CO 0.42 -0.20 1.14 -1.21 -2.03 0.00 0.00 175.02 173.14 3knh s GLU 90 N -2.47 3.45 -0.36 3.16 2.02 -1.26 -0.21 118.70 123.02 3knh s GLU 90 Ca 0.14 1.65 -0.07 0.00 0.02 0.00 0.00 54.97 56.70 3knh s GLU 90 Cb 0.04 -2.09 0.05 0.00 0.10 0.00 0.00 34.13 32.23 3knh s GLU 90 CO -0.04 -0.78 0.15 0.08 0.02 0.00 0.00 175.26 174.69 3knh s VAL 91 N -1.72 3.95 0.57 2.63 1.01 -1.26 -4.73 120.40 120.85 3knh s VAL 91 Ca 0.71 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 3knh s VAL 91 Cb -0.25 -3.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.71 3knh s VAL 91 CO 0.29 -0.27 -0.11 -0.24 0.00 0.00 0.00 175.10 174.76 3knh n SER 92 N 4.85 -3.58 0.00 3.32 2.88 -1.26 -4.55 113.62 115.28 3knh n SER 92 Ca -0.11 0.61 0.06 0.00 -1.33 0.00 0.00 58.87 58.10 3knh n SER 92 Cb 0.44 -0.88 0.36 0.00 -0.75 0.00 0.00 64.21 63.38 3knh n SER 92 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3knh n PRO 93 N 1.38 0.36 0.00 -1.46 -0.04 -1.26 -1.62 135.00 132.36 3knh n PRO 93 Ca 0.07 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3knh n PRO 93 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3knh n PRO 93 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knh n ARG 94 N -1.03 0.00 -0.33 0.54 1.74 -1.26 -3.47 116.66 112.85 3knh n ARG 94 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3knh n ARG 94 Cb 0.05 -0.24 0.05 0.00 -1.02 0.00 0.00 32.46 31.30 3knh n ARG 94 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3knh n ARG 95 N -0.58 -0.18 -0.30 5.56 0.63 -1.23 0.16 116.66 120.72 3knh n ARG 95 Ca 0.00 1.36 0.12 0.00 -0.92 0.00 0.00 57.85 58.41 3knh n ARG 95 Cb 0.00 -2.02 0.29 0.00 0.45 0.00 0.00 32.46 31.18 3knh n ARG 95 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 3knh h GLN 96 N 0.00 0.28 -0.07 -0.14 4.15 -1.52 0.72 115.11 118.53 3knh h GLN 96 Ca 0.33 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.60 3knh h GLN 96 Cb 0.55 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3knh h GLN 96 CO -0.88 0.18 -0.55 0.37 -1.93 0.00 0.00 178.83 176.03 3knh h GLN 97 N 0.29 0.21 0.38 1.69 4.15 0.15 -2.34 115.11 119.64 3knh h GLN 97 Ca 0.54 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.81 3knh h GLN 97 Cb 1.06 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3knh h GLN 97 CO -0.59 0.71 -0.18 0.77 -1.93 0.00 0.00 178.83 177.60 3knh h SER 98 N 0.17 -0.43 -0.96 -0.69 0.02 0.18 -2.96 113.55 108.87 3knh h SER 98 Ca 0.00 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.08 3knh h SER 98 Cb 1.02 0.11 -0.13 0.00 0.14 0.00 0.00 62.40 63.53 3knh h SER 98 CO 0.08 -0.04 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.16 3knh h LEU 99 N -1.04 -1.84 0.00 5.07 3.38 -0.16 0.55 115.31 121.27 3knh h LEU 99 Ca -0.05 0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3knh h LEU 99 Cb 0.39 0.86 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3knh h LEU 99 CO 0.09 -0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.35 3knh n ALA 100 N -3.33 0.00 -0.21 1.53 0.00 -0.88 -0.11 120.51 117.50 3knh n ALA 100 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 3knh n ALA 100 Cb 0.32 0.36 0.11 0.00 0.00 0.00 0.00 19.45 20.24 3knh n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knh h LEU 101 N 0.00 0.34 -1.08 0.00 3.38 -1.04 -2.15 115.31 114.76 3knh h LEU 101 Ca 0.00 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3knh h LEU 101 Cb 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3knh h LEU 101 CO 0.00 0.21 0.62 -0.09 0.09 0.00 0.00 178.44 179.26 3knh h ARG 102 N 0.50 0.94 0.00 1.13 2.43 0.16 -1.63 114.38 117.91 3knh h ARG 102 Ca 0.31 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.26 3knh h ARG 102 Cb 0.33 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3knh h ARG 102 CO -0.27 0.62 -0.78 -1.49 -1.51 0.00 0.00 179.97 176.55 3knh h TRP 103 N 0.96 0.00 0.35 2.20 6.55 0.11 -2.40 115.95 123.72 3knh h TRP 103 Ca 0.47 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.29 3knh h TRP 103 Cb 0.46 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.76 3knh h TRP 103 CO -0.00 0.78 -0.21 -0.07 -1.05 0.00 0.00 178.44 177.88 3knh h LEU 104 N 0.00 -0.53 -1.42 -4.49 -0.00 -0.81 1.50 115.31 109.57 3knh h LEU 104 Ca -0.01 0.03 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 3knh h LEU 104 Cb 1.44 0.15 -0.04 0.00 -0.00 0.00 0.00 40.66 42.21 3knh h LEU 104 CO 0.10 -0.33 0.46 0.58 -0.00 0.00 0.00 178.44 179.25 3knh h VAL 105 N -0.52 1.02 0.55 1.22 2.07 -1.65 0.61 116.25 119.54 3knh h VAL 105 Ca -0.05 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3knh h VAL 105 Cb 0.42 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3knh h VAL 105 CO 0.05 0.13 -0.48 1.56 0.02 0.00 0.00 177.57 178.85 3knh h GLN 106 N 0.71 -0.98 0.00 1.57 4.20 -0.96 0.37 115.11 120.03 3knh h GLN 106 Ca 0.30 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3knh h GLN 106 Cb 0.26 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3knh h GLN 106 CO -0.10 -0.65 0.00 0.00 -0.67 0.00 0.00 178.83 177.41 3knh n ALA 107 N -2.77 1.27 -0.35 3.87 0.00 0.51 -3.38 120.51 119.66 3knh n ALA 107 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3knh n ALA 107 Cb 0.46 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3knh n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh n ALA 108 N -1.39 -0.07 0.00 0.00 0.00 0.20 -3.64 120.51 115.61 3knh n ALA 108 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3knh n ALA 108 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3knh n ALA 108 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3knh n ASN 109 N -1.47 0.00 -2.45 0.00 5.03 -0.95 -0.99 115.26 114.42 3knh n ASN 109 Ca 0.00 0.31 -0.27 0.00 0.87 0.00 0.00 54.58 55.49 3knh n ASN 109 Cb 0.00 -0.31 -0.04 0.00 -1.02 0.00 0.00 39.78 38.41 3knh n ASN 109 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3knh n GLN 110 N -1.29 2.37 -4.05 3.52 1.13 -1.22 -4.86 117.38 112.97 3knh n GLN 110 Ca 0.00 -2.34 -0.13 0.00 -1.94 0.00 0.00 57.00 52.59 3knh n GLN 110 Cb 0.12 -2.10 -0.11 0.00 0.11 0.00 0.00 30.24 28.25 3knh n GLN 110 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3knh s ARG 111 N -1.85 0.51 0.32 -1.09 0.52 -0.16 -4.96 118.95 112.23 3knh s ARG 111 Ca 0.56 -0.75 0.24 0.00 -0.52 0.00 0.00 55.73 55.27 3knh s ARG 111 Cb 0.38 -0.25 0.54 0.00 0.52 0.00 0.00 34.95 36.14 3knh s ARG 111 CO -0.21 0.04 1.66 -1.00 0.02 0.00 0.00 175.30 175.81 3knh h PRO 112 N 4.50 0.00 -7.07 3.54 0.13 -1.89 -3.46 132.00 127.75 3knh h PRO 112 Ca -0.35 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.23 3knh h PRO 112 Cb 1.20 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.47 3knh h PRO 112 CO 0.41 0.00 0.57 -1.83 -0.23 0.00 0.00 178.00 176.91 3knh s GLU 113 N -3.16 2.95 -0.01 0.86 1.03 -1.26 -4.95 118.70 114.15 3knh s GLU 113 Ca 0.08 2.14 -0.15 0.00 0.03 0.00 0.00 54.97 57.07 3knh s GLU 113 Cb 0.09 -2.10 -0.34 0.00 -0.80 0.00 0.00 34.13 30.98 3knh s GLU 113 CO 0.64 -1.31 0.87 0.00 -1.33 0.00 0.00 175.26 174.13 3knh h ARG 114 N 1.13 0.46 -5.77 -4.83 3.08 -1.99 -3.45 114.38 103.02 3knh h ARG 114 Ca -0.51 -0.79 -0.62 0.00 0.07 0.00 0.00 59.98 58.13 3knh h ARG 114 Cb 1.31 0.29 -0.13 0.00 0.08 0.00 0.00 29.97 31.53 3knh h ARG 114 CO 0.56 1.38 0.42 1.03 -1.07 0.00 0.00 179.97 182.29 3knh s ARG 115 N -2.57 3.36 0.21 0.04 0.52 -1.26 -4.94 118.95 114.32 3knh s ARG 115 Ca -0.12 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 3knh s ARG 115 Cb 0.04 -3.99 0.55 0.00 0.52 0.00 0.00 34.95 32.06 3knh s ARG 115 CO 0.90 -1.27 1.04 0.00 0.02 0.00 0.00 175.30 175.99 3knh n ALA 116 N 6.97 0.37 0.29 2.13 0.00 -1.26 0.78 120.51 129.80 3knh n ALA 116 Ca 0.02 0.70 -0.17 0.00 0.00 0.00 0.00 53.44 53.99 3knh n ALA 116 Cb 0.48 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 3knh n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knh h ALA 117 N 1.32 -0.91 0.00 0.00 0.00 -1.92 -2.07 119.26 115.68 3knh h ALA 117 Ca 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3knh h ALA 117 Cb 0.90 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3knh h ALA 117 CO -0.61 -1.04 -0.03 -0.39 0.00 0.00 0.00 179.25 177.18 3knh h VAL 118 N -0.87 0.49 0.00 0.00 -1.51 0.05 -1.08 116.25 113.32 3knh h VAL 118 Ca -0.05 -0.13 -0.09 0.00 -1.23 0.00 0.00 66.70 65.20 3knh h VAL 118 Cb 0.74 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3knh h VAL 118 CO 0.00 0.03 -0.41 0.03 -1.23 0.00 0.00 177.57 175.99 3knh h ARG 119 N 0.00 0.00 0.08 5.19 3.08 -0.48 -0.53 114.38 121.72 3knh h ARG 119 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 3knh h ARG 119 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3knh h ARG 119 CO 0.00 0.41 -1.64 0.82 -1.07 0.00 0.00 179.97 178.50 3knh h ILE 120 N 0.00 1.00 -0.37 2.04 1.08 -0.97 -2.54 117.51 117.76 3knh h ILE 120 Ca -0.00 -2.72 0.08 0.00 -0.39 0.00 0.00 64.86 61.82 3knh h ILE 120 Cb 0.90 2.63 -0.07 0.00 -3.07 0.00 0.00 36.82 37.20 3knh h ILE 120 CO 0.05 0.76 -0.12 0.00 -0.69 0.00 0.00 178.15 178.15 3knh h ALA 121 N 0.57 0.20 0.57 1.87 0.00 -0.91 0.18 119.26 121.74 3knh h ALA 121 Ca -0.28 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3knh h ALA 121 Cb 2.00 0.32 0.01 0.00 0.00 0.00 0.00 17.79 20.12 3knh h ALA 121 CO 0.12 -0.48 -0.27 0.45 0.00 0.00 0.00 179.25 179.07 3knh h HIS 122 N -0.03 -0.70 -1.02 0.00 3.86 -1.20 -3.06 115.15 112.99 3knh h HIS 122 Ca 0.18 -0.02 0.30 0.00 -1.16 0.00 0.00 60.37 59.67 3knh h HIS 122 Cb 0.31 0.23 -0.13 0.00 1.06 0.00 0.00 27.41 28.87 3knh h HIS 122 CO -0.35 -0.44 0.60 1.49 0.86 0.00 0.00 177.93 180.09 3knh h GLU 123 N -1.18 0.39 0.00 2.45 4.57 -1.26 -0.44 114.58 119.11 3knh h GLU 123 Ca -0.08 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.89 3knh h GLU 123 Cb 0.58 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 3knh h GLU 123 CO 0.13 0.26 -0.89 -0.07 -1.18 0.00 0.00 179.01 177.26 3knh h LEU 124 N 0.41 0.00 0.00 1.64 3.38 -1.06 -1.05 115.31 118.63 3knh h LEU 124 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3knh h LEU 124 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3knh h LEU 124 CO -0.52 0.89 0.00 0.23 0.09 0.00 0.00 178.44 179.13 3knh n MET 125 N -3.34 0.43 -0.09 1.13 2.81 -0.26 -2.01 117.12 115.78 3knh n MET 125 Ca 0.00 0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 3knh n MET 125 Cb 0.89 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.75 3knh n MET 125 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3knh n ASP 126 N -1.26 0.55 0.03 7.83 9.92 -0.67 -3.95 116.55 129.00 3knh n ASP 126 Ca 0.14 0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.41 3knh n ASP 126 Cb 0.21 0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 41.21 3knh n ASP 126 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3knh h ALA 127 N 0.78 -0.30 0.00 2.24 0.00 -1.05 0.26 119.26 121.19 3knh h ALA 127 Ca -0.52 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3knh h ALA 127 Cb 2.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.98 3knh h ALA 127 CO 0.02 -0.29 0.95 0.00 0.00 0.00 0.00 179.25 179.93 3knh h ALA 128 N -1.72 1.95 0.00 0.00 0.00 -1.64 0.39 119.26 118.25 3knh h ALA 128 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3knh h ALA 128 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3knh h ALA 128 CO 0.02 -0.95 -0.66 -1.91 0.00 0.00 0.00 179.25 175.75 3knh n GLU 129 N -2.53 0.39 0.00 0.00 2.13 -1.20 -4.80 120.64 114.63 3knh n GLU 129 Ca -0.00 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3knh n GLU 129 Cb 0.95 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 31.37 3knh n GLU 129 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knh n GLY 130 N 1.52 0.09 0.71 8.31 0.00 0.81 -5.03 105.19 111.61 3knh n GLY 130 Ca -0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3knh n GLY 130 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3knh n LYS 131 N 0.00 2.85 -1.53 1.61 2.85 -0.64 -4.95 118.16 118.36 3knh n LYS 131 Ca 0.00 -2.43 -0.40 0.00 -1.05 0.00 0.00 58.31 54.44 3knh n LYS 131 Cb 0.00 -1.54 0.03 0.00 -0.65 0.00 0.00 35.03 32.86 3knh n LYS 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3knh n GLY 132 N -0.09 -0.93 0.25 2.58 0.00 -0.79 -4.85 105.19 101.35 3knh n GLY 132 Ca 0.16 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3knh n GLY 132 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3knh h GLY 133 N 0.77 0.15 2.00 -0.02 0.00 -1.88 -0.79 103.07 103.30 3knh h GLY 133 Ca -0.45 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 3knh h GLY 133 CO 0.51 0.07 -0.58 0.00 0.00 0.00 0.00 176.54 176.55 3knh h ALA 134 N 1.79 0.94 -0.40 3.60 0.00 -1.87 -3.10 119.26 120.21 3knh h ALA 134 Ca 0.03 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.43 3knh h ALA 134 Cb 0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3knh h ALA 134 CO 0.01 0.72 0.23 0.28 0.00 0.00 0.00 179.25 180.50 3knh h VAL 135 N 0.00 1.04 -0.77 0.00 2.07 -1.47 -1.73 116.25 115.39 3knh h VAL 135 Ca -0.01 -0.16 0.19 0.00 0.82 0.00 0.00 66.70 67.54 3knh h VAL 135 Cb 1.09 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3knh h VAL 135 CO 0.08 0.09 0.53 0.11 0.02 0.00 0.00 177.57 178.39 3knh h LYS 136 N 0.47 0.24 -0.04 1.57 1.79 -1.44 0.34 116.57 119.50 3knh h LYS 136 Ca 0.16 -0.01 -0.19 0.00 -2.18 0.00 0.00 60.65 58.43 3knh h LYS 136 Cb 0.01 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3knh h LYS 136 CO -0.07 0.16 -0.78 -0.22 -1.08 0.00 0.00 179.45 177.45 3knh h LYS 137 N 0.25 0.30 -0.06 3.15 3.11 -1.41 1.01 116.57 122.92 3knh h LYS 137 Ca 0.38 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.94 3knh h LYS 137 Cb 1.13 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.43 3knh h LYS 137 CO -0.09 0.94 -0.00 -0.22 -2.81 0.00 0.00 179.45 177.27 3knh h LYS 138 N 0.19 0.10 0.00 1.90 3.64 -0.14 -3.00 116.57 119.27 3knh h LYS 138 Ca -0.04 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3knh h LYS 138 Cb 1.37 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 3knh h LYS 138 CO 0.13 0.38 -0.28 0.93 -2.27 0.00 0.00 179.45 178.34 3knh h GLU 139 N -0.19 0.00 0.00 1.90 5.08 -0.46 -2.73 114.58 118.19 3knh h GLU 139 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3knh h GLU 139 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3knh h GLU 139 CO 0.00 0.28 0.00 -3.47 -1.00 0.00 0.00 179.01 174.83 3knh n ASP 140 N -4.12 0.12 -0.00 1.42 2.03 0.35 -2.29 116.55 114.06 3knh n ASP 140 Ca -0.02 0.52 0.09 0.00 0.52 0.00 0.00 54.79 55.90 3knh n ASP 140 Cb 0.34 -0.55 -0.12 0.00 -0.72 0.00 0.00 41.12 40.07 3knh n ASP 140 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3knh n VAL 141 N -1.62 0.00 -0.05 5.18 0.31 -1.08 -3.65 118.33 117.42 3knh n VAL 141 Ca 0.06 -0.21 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 3knh n VAL 141 Cb 0.29 0.63 0.05 0.00 -0.91 0.00 0.00 33.84 33.91 3knh n VAL 141 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3knh h GLU 142 N 0.00 0.71 0.14 5.55 4.57 -1.16 -2.32 114.58 122.07 3knh h GLU 142 Ca 0.00 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 3knh h GLU 142 Cb 0.59 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3knh h GLU 142 CO 0.00 0.99 -0.07 0.00 -1.18 0.00 0.00 179.01 178.75 3knh h ARG 143 N 0.58 -0.18 -0.25 1.92 3.08 -1.62 -3.31 114.38 114.59 3knh h ARG 143 Ca 0.04 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.17 3knh h ARG 143 Cb 0.96 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.97 3knh h ARG 143 CO 0.09 0.25 -0.33 0.52 -1.07 0.00 0.00 179.97 179.43 3knh h MET 144 N -0.72 -0.33 -7.23 0.04 2.86 -1.62 -2.81 114.93 105.12 3knh h MET 144 Ca -0.02 0.02 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 3knh h MET 144 Cb 0.52 0.07 0.20 0.00 0.06 0.00 0.00 31.60 32.46 3knh h MET 144 CO 0.03 -0.22 0.16 0.00 1.06 0.00 0.00 176.91 177.95 3knh s ALA 145 N -5.99 0.93 0.00 6.32 0.00 -0.88 -1.60 121.76 120.54 3knh s ALA 145 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.24 3knh s ALA 145 Cb 0.12 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3knh s ALA 145 CO 0.67 -3.09 0.00 0.39 0.00 0.00 0.00 175.76 173.73 3knh n GLU 146 N -4.45 0.00 0.01 0.00 -0.58 -1.26 -4.15 120.64 110.22 3knh n GLU 146 Ca 0.10 0.00 0.22 0.00 -0.42 0.00 0.00 57.16 57.06 3knh n GLU 146 Cb 0.52 0.00 0.73 0.00 -0.57 0.00 0.00 31.44 32.12 3knh n GLU 146 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knh h ALA 147 N 0.00 2.34 -0.12 0.62 0.00 -1.17 0.78 119.26 121.71 3knh h ALA 147 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3knh h ALA 147 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3knh h ALA 147 CO 0.00 -0.78 -0.06 0.09 0.00 0.00 0.00 179.25 178.50 3knh n ASN 148 N -3.89 2.79 0.09 0.00 5.03 -0.63 -4.53 115.26 114.12 3knh n ASN 148 Ca 0.10 -3.22 0.10 0.00 0.87 0.00 0.00 54.58 52.44 3knh n ASN 148 Cb 0.72 -0.50 0.43 0.00 -1.02 0.00 0.00 39.78 39.41 3knh n ASN 148 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3knh n ARG 149 N -1.08 0.13 -0.19 3.52 0.63 0.27 -2.41 116.66 117.53 3knh n ARG 149 Ca 0.20 0.36 -0.08 0.00 -0.92 0.00 0.00 57.85 57.41 3knh n ARG 149 Cb 0.77 -1.75 -0.03 0.00 0.45 0.00 0.00 32.46 31.90 3knh n ARG 149 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knh h ALA 150 N 2.35 -0.30 -0.98 5.13 0.00 -1.80 -1.09 119.26 122.57 3knh h ALA 150 Ca 0.00 0.11 -0.75 0.00 0.00 0.00 0.00 54.91 54.27 3knh h ALA 150 Cb 0.33 0.92 -0.23 0.00 0.00 0.00 0.00 17.79 18.81 3knh h ALA 150 CO 0.00 -0.81 1.29 0.66 0.00 0.00 0.00 179.25 180.39 3knh n TYR 151 N -5.41 2.65 0.36 0.00 4.02 -1.01 -4.36 117.16 113.41 3knh n TYR 151 Ca 0.02 -2.50 0.11 0.00 -0.01 0.00 0.00 57.90 55.51 3knh n TYR 151 Cb 0.35 -1.36 -0.06 0.00 -0.02 0.00 0.00 39.34 38.24 3knh n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3knh n ALA 152 N 0.35 3.25 0.75 -0.72 0.00 -0.41 -3.76 120.51 119.97 3knh n ALA 152 Ca 0.52 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 3knh n ALA 152 Cb 0.28 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.87 3knh n ALA 152 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3knh n HIS 153 N -2.11 0.34 -1.46 0.00 1.44 -1.26 -2.41 115.22 109.77 3knh n HIS 153 Ca -0.00 -0.58 0.00 0.00 -2.01 0.00 0.00 57.72 55.14 3knh n HIS 153 Cb 0.48 -0.31 0.01 0.00 0.12 0.00 0.00 29.99 30.29 3knh n HIS 153 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3knh n TYR 154 N 0.28 0.00 0.00 -1.40 0.53 -1.25 -4.94 117.16 110.38 3knh n TYR 154 Ca 0.06 -0.05 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 3knh n TYR 154 Cb 0.60 -0.03 0.00 0.00 -1.03 0.00 0.00 39.34 38.88 3knh n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3knh n ARG 155 N -0.07 0.00 -0.04 -0.72 1.74 -1.01 -4.97 116.66 111.59 3knh n ARG 155 Ca 0.01 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3knh n ARG 155 Cb 0.59 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3knh n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44