#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vke n GLY 21 N 0.00 -0.57 3.50 -0.13 0.00 -1.26 -4.98 105.19 101.76 1vke n GLY 21 Ca 0.00 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 1vke n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vke s THR 22 N 0.00 0.43 0.43 2.61 -4.23 -1.26 -4.99 115.64 108.63 1vke s THR 22 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 1vke s THR 22 Cb 0.00 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.78 1vke s THR 22 CO 0.00 0.00 2.03 0.17 -0.54 0.00 0.00 174.62 176.28 1vke h LEU 23 N 1.75 0.27 -0.77 4.79 -0.00 -2.00 -1.85 115.31 117.50 1vke h LEU 23 Ca -0.33 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.48 1vke h LEU 23 Cb 1.27 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.83 1vke h LEU 23 CO 0.51 0.28 0.29 0.78 -0.00 0.00 0.00 178.44 180.30 1vke h ASN 24 N 0.31 1.09 -0.33 0.17 2.35 -1.99 -1.00 115.58 116.18 1vke h ASN 24 Ca 0.08 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1vke h ASN 24 Cb 0.11 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1vke h ASN 24 CO -0.00 0.98 0.22 0.74 -1.65 0.00 0.00 177.43 177.71 1vke h THR 25 N 1.13 1.09 -0.36 2.81 2.02 -1.74 -0.76 112.91 117.10 1vke h THR 25 Ca 0.26 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1vke h THR 25 Cb 0.25 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1vke h THR 25 CO -0.02 0.08 0.21 0.11 0.37 0.00 0.00 175.52 176.28 1vke h LYS 26 N 0.44 0.50 -0.88 6.66 6.56 -1.23 -1.38 116.57 127.24 1vke h LYS 26 Ca 0.12 -0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1vke h LYS 26 Cb -0.05 -0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 31.46 1vke h LYS 26 CO -0.03 0.39 0.58 0.00 -2.06 0.00 0.00 179.45 178.34 1vke h ARG 27 N 0.47 1.12 -0.42 3.15 3.08 -0.96 -0.16 114.38 120.66 1vke h ARG 27 Ca 0.13 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 1vke h ARG 27 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 1vke h ARG 27 CO -0.02 0.74 -0.08 0.35 -1.07 0.00 0.00 179.97 179.90 1vke h PHE 28 N 1.16 0.89 -0.59 3.04 3.04 -0.62 -0.91 116.94 122.95 1vke h PHE 28 Ca 0.34 -0.18 -0.06 0.00 3.98 0.00 0.00 57.97 62.04 1vke h PHE 28 Cb -0.07 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.19 1vke h PHE 28 CO -0.00 0.90 0.13 0.74 -2.02 0.00 0.00 178.31 178.07 1vke h PHE 29 N 0.63 0.96 -0.65 0.41 -1.00 -0.92 -1.07 116.94 115.29 1vke h PHE 29 Ca 0.11 -0.10 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1vke h PHE 29 Cb 0.60 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.86 1vke h PHE 29 CO 0.05 0.80 0.20 -0.91 -1.61 0.00 0.00 178.31 176.83 1vke h ASN 30 N 0.88 0.96 -0.72 2.17 2.35 -0.69 -2.59 115.58 117.94 1vke h ASN 30 Ca 0.19 -0.21 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1vke h ASN 30 Cb 0.33 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1vke h ASN 30 CO 0.00 0.92 0.23 0.25 -1.65 0.00 0.00 177.43 177.18 1vke h LEU 31 N 0.95 1.06 -1.11 1.61 5.85 -0.74 -1.27 115.31 121.66 1vke h LEU 31 Ca 0.21 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1vke h LEU 31 Cb 0.31 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1vke h LEU 31 CO -0.00 0.98 0.60 -0.78 -0.34 0.00 0.00 178.44 178.90 1vke h ASP 32 N 1.09 1.01 -0.31 1.25 3.58 -0.95 -1.87 116.42 120.21 1vke h ASP 32 Ca 0.24 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.50 1vke h ASP 32 Cb 0.30 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 1vke h ASP 32 CO -0.01 0.71 -0.46 -1.28 -2.88 0.00 0.00 179.24 175.32 1vke h SER 33 N 1.18 0.95 -0.19 2.28 0.87 -1.18 -3.32 113.55 114.14 1vke h SER 33 Ca 0.35 -0.51 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 1vke h SER 33 Cb -0.04 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 1vke h SER 33 CO -0.10 1.27 -0.08 0.00 -0.53 0.00 0.00 176.83 177.40 1vke h ALA 34 N 0.70 1.26 0.00 6.23 0.00 -0.62 -2.74 119.26 124.09 1vke h ALA 34 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vke h ALA 34 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1vke h ALA 34 CO 0.11 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.17 1vke n VAL 35 N -4.22 0.82 0.47 0.00 0.24 -0.76 -1.76 118.33 113.11 1vke n VAL 35 Ca 0.01 0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.61 1vke n VAL 35 Cb 0.30 -0.95 0.17 0.00 -1.47 0.00 0.00 33.84 31.89 1vke n VAL 35 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1vke n TYR 36 N -1.68 0.34 -2.43 6.34 4.01 -1.03 -4.96 117.16 117.75 1vke n TYR 36 Ca 0.04 -0.18 -0.34 0.00 -0.16 0.00 0.00 57.90 57.25 1vke n TYR 36 Cb 0.22 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 1vke n TYR 36 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vke s ARG 37 N -1.57 3.63 0.51 -0.72 0.52 -0.73 -4.75 118.95 115.85 1vke s ARG 37 Ca 0.34 1.44 -0.21 0.00 -0.52 0.00 0.00 55.73 56.78 1vke s ARG 37 Cb 0.21 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 1vke s ARG 37 CO 0.30 -0.59 1.19 -1.25 0.02 0.00 0.00 175.30 174.97 1vke s PRO 38 N -3.28 3.44 0.00 3.54 0.04 -1.26 -4.89 135.00 132.58 1vke s PRO 38 Ca 0.69 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1vke s PRO 38 Cb -0.19 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1vke s PRO 38 CO 0.23 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1vke n GLY 39 N 0.44 4.75 0.21 0.56 0.00 -1.26 -4.97 105.19 104.92 1vke n GLY 39 Ca 0.10 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.56 1vke n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vke h LYS 40 N 0.00 0.00 -5.90 1.61 1.79 -2.05 -3.40 116.57 108.62 1vke h LYS 40 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1vke h LYS 40 Cb 0.00 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 1vke h LYS 40 CO 0.00 0.28 -0.23 -0.51 -1.08 0.00 0.00 179.45 177.91 1vke s LEU 41 N -7.93 4.42 0.73 2.94 1.43 -1.26 -5.09 118.68 113.93 1vke s LEU 41 Ca -0.03 0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 1vke s LEU 41 Cb 0.14 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.86 1vke s LEU 41 CO 0.68 0.27 1.12 1.51 0.23 0.00 0.00 176.35 180.16 1vke s ASP 42 N -0.72 5.16 0.29 2.29 1.47 -1.26 -4.59 116.67 119.30 1vke s ASP 42 Ca 0.23 1.00 -0.01 0.00 1.18 0.00 0.00 52.55 54.95 1vke s ASP 42 Cb -0.16 -1.71 0.42 0.00 -0.34 0.00 0.00 42.92 41.13 1vke s ASP 42 CO 0.11 -1.51 1.85 0.58 0.68 0.00 0.00 175.17 176.89 1vke h VAL 43 N -0.76 1.22 -0.50 2.11 2.07 -1.90 -1.81 116.25 116.67 1vke h VAL 43 Ca -0.45 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.37 1vke h VAL 43 Cb 1.28 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1vke h VAL 43 CO 0.64 0.28 0.28 0.50 0.02 0.00 0.00 177.57 179.30 1vke h LYS 44 N 0.83 0.55 -0.56 1.57 3.64 -1.93 0.11 116.57 120.78 1vke h LYS 44 Ca 0.19 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1vke h LYS 44 Cb 0.22 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1vke h LYS 44 CO -0.01 0.36 0.36 1.15 -2.27 0.00 0.00 179.45 179.04 1vke h THR 45 N 0.56 1.11 -0.64 1.00 2.02 -1.85 -1.05 112.91 114.07 1vke h THR 45 Ca 0.21 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 1vke h THR 45 Cb 0.06 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1vke h THR 45 CO -0.11 0.13 0.05 0.11 0.37 0.00 0.00 175.52 176.07 1vke h LYS 46 N 0.73 1.09 -0.35 6.66 1.57 -0.91 -0.63 116.57 124.72 1vke h LYS 46 Ca 0.21 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.56 1vke h LYS 46 Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1vke h LYS 46 CO -0.06 1.03 -0.23 0.93 -0.57 0.00 0.00 179.45 180.55 1vke h GLU 47 N 1.01 0.69 -0.64 3.15 4.39 -0.72 -0.74 114.58 121.71 1vke h GLU 47 Ca 0.19 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1vke h GLU 47 Cb 0.51 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1vke h GLU 47 CO 0.02 0.86 0.27 -0.07 -1.16 0.00 0.00 179.01 178.93 1vke h LEU 48 N 0.60 0.85 -0.71 1.33 3.38 -0.91 0.62 115.31 120.48 1vke h LEU 48 Ca 0.09 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1vke h LEU 48 Cb 0.71 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1vke h LEU 48 CO 0.05 0.76 0.21 0.24 0.09 0.00 0.00 178.44 179.79 1vke h MET 49 N 0.92 1.11 -0.95 1.13 2.86 -0.57 -0.93 114.93 118.50 1vke h MET 49 Ca 0.22 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1vke h MET 49 Cb 0.16 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 1vke h MET 49 CO -0.02 0.96 0.58 0.78 1.06 0.00 0.00 176.91 180.27 1vke h GLY 50 N 1.05 1.37 0.83 8.32 0.00 -0.75 -0.98 103.07 112.91 1vke h GLY 50 Ca 0.23 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.01 1vke h GLY 50 CO -0.00 0.55 -0.00 -2.00 0.00 0.00 0.00 176.54 175.08 1vke h LEU 51 N 1.31 -0.05 -0.00 3.11 5.85 -0.49 0.55 115.31 125.58 1vke h LEU 51 Ca 0.34 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.10 1vke h LEU 51 Cb -0.07 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1vke h LEU 51 CO -0.07 -0.01 -0.10 0.58 -0.34 0.00 0.00 178.44 178.50 1vke h VAL 52 N 0.03 0.74 -0.48 1.05 2.07 -0.91 -0.14 116.25 118.61 1vke h VAL 52 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1vke h VAL 52 Cb 0.06 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1vke h VAL 52 CO -0.09 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.75 1vke h ALA 53 N 0.80 0.60 -0.47 1.67 0.00 -1.08 -1.31 119.26 119.48 1vke h ALA 53 Ca 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1vke h ALA 53 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1vke h ALA 53 CO -0.11 -0.10 0.07 0.77 0.00 0.00 0.00 179.25 179.88 1vke h SER 54 N 0.48 0.69 -0.05 0.00 0.02 -0.70 -2.15 113.55 111.85 1vke h SER 54 Ca 0.20 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1vke h SER 54 Cb 0.10 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1vke h SER 54 CO -0.14 0.72 -0.10 0.74 -1.14 0.00 0.00 176.83 176.91 1vke h THR 55 N 0.71 1.43 0.00 -2.27 2.02 -0.65 -1.30 112.91 112.85 1vke h THR 55 Ca 0.15 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 1vke h THR 55 Cb 0.34 2.27 -0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1vke h THR 55 CO 0.01 0.39 -0.04 -0.37 0.37 0.00 0.00 175.52 175.88 1vke h VAL 56 N -0.37 0.86 -0.01 3.16 -1.51 -1.22 -1.67 116.25 115.50 1vke h VAL 56 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1vke h VAL 56 Cb 0.69 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 1vke h VAL 56 CO 0.02 0.04 -0.27 0.18 -1.23 0.00 0.00 177.57 176.31 1vke n LEU 57 N -4.25 0.91 -3.01 4.19 4.77 -0.81 -4.88 117.00 113.92 1vke n LEU 57 Ca -0.03 -0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 1vke n LEU 57 Cb 0.12 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1vke n LEU 57 CO 0.32 0.17 0.11 0.54 -1.33 0.00 0.00 177.39 177.21 1vke n ARG 58 N -0.77 -5.63 -3.72 3.23 1.74 -0.55 -4.99 116.66 105.96 1vke n ARG 58 Ca 0.12 0.70 -0.38 0.00 -0.77 0.00 0.00 57.85 57.52 1vke n ARG 58 Cb 0.34 -5.27 -0.11 0.00 -1.02 0.00 0.00 32.46 26.39 1vke n ARG 58 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vke h ASP 60 N 8.21 1.00 -0.18 0.00 3.32 -1.94 -0.51 116.42 126.31 1vke h ASP 60 Ca -0.19 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 1vke h ASP 60 Cb 1.07 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1vke h ASP 60 CO 0.69 0.81 -0.20 0.44 -1.72 0.00 0.00 179.24 179.26 1vke h ASP 61 N 1.11 0.62 -0.36 6.45 5.19 -1.98 -1.15 116.42 126.30 1vke h ASP 61 Ca 0.28 -0.20 -0.10 0.00 -0.62 0.00 0.00 57.03 56.39 1vke h ASP 61 Cb 0.04 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1vke h ASP 61 CO -0.04 0.82 -0.17 0.00 -3.12 0.00 0.00 179.24 176.72 1vke h ILE 63 N 0.53 0.94 -0.45 0.00 2.04 -0.86 -1.60 117.51 118.10 1vke h ILE 63 Ca 0.08 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.94 1vke h ILE 63 Cb 0.71 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1vke h ILE 63 CO 0.05 0.03 0.20 0.03 0.00 0.00 0.00 178.15 178.46 1vke h ARG 64 N 0.14 0.39 0.11 2.37 3.08 -1.11 0.77 114.38 120.12 1vke h ARG 64 Ca 0.08 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1vke h ARG 64 Cb 0.07 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1vke h ARG 64 CO -0.10 0.26 -0.22 -0.92 -1.07 0.00 0.00 179.97 177.92 1vke h TYR 65 N 0.40 -0.57 0.00 3.04 3.20 -1.07 -2.02 116.97 119.95 1vke h TYR 65 Ca 0.20 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1vke h TYR 65 Cb 0.14 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1vke h TYR 65 CO -0.12 -0.31 -0.54 0.45 -1.64 0.00 0.00 178.16 176.00 1vke h HIS 66 N -0.40 0.00 -0.07 -3.82 3.86 -1.00 -1.92 115.15 111.79 1vke h HIS 66 Ca 0.03 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1vke h HIS 66 Cb 0.43 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1vke h HIS 66 CO -0.21 0.54 0.01 -0.07 0.86 0.00 0.00 177.93 179.06 1vke h LEU 67 N 0.00 0.00 -0.54 2.43 3.38 -0.74 0.18 115.31 120.03 1vke h LEU 67 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1vke h LEU 67 Cb 0.95 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1vke h LEU 67 CO 0.07 0.01 0.19 0.58 0.09 0.00 0.00 178.44 179.39 1vke h VAL 68 N 0.05 0.80 -0.44 1.22 2.07 -1.00 -0.95 116.25 118.01 1vke h VAL 68 Ca 0.03 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1vke h VAL 68 Cb 0.03 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1vke h VAL 68 CO -0.04 0.07 0.09 0.03 0.02 0.00 0.00 177.57 177.74 1vke h ARG 69 N 0.37 0.72 -0.66 1.57 2.47 -1.11 0.17 114.38 117.91 1vke h ARG 69 Ca 0.26 -0.18 0.08 0.00 -1.26 0.00 0.00 59.98 58.89 1vke h ARG 69 Cb 0.30 -0.09 -0.07 0.00 -1.65 0.00 0.00 29.97 28.46 1vke h ARG 69 CO -0.27 0.73 0.31 0.00 0.56 0.00 0.00 179.97 181.30 1vke h VAL 71 N 0.55 1.24 -0.83 0.00 2.07 -0.83 -0.78 116.25 117.68 1vke h VAL 71 Ca 0.32 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1vke h VAL 71 Cb 0.32 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1vke h VAL 71 CO -0.26 0.26 0.54 1.56 0.02 0.00 0.00 177.57 179.70 1vke h GLN 72 N 0.24 0.85 -0.34 1.57 4.20 -0.66 -2.33 115.11 118.64 1vke h GLN 72 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1vke h GLN 72 Cb 0.36 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1vke h GLN 72 CO 0.01 0.56 0.00 0.39 -0.67 0.00 0.00 178.83 179.12 1vke n GLU 73 N -4.49 1.70 -0.79 1.46 -0.58 -0.06 -4.91 120.64 112.97 1vke n GLU 73 Ca 0.13 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.92 1vke n GLU 73 Cb 0.24 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1vke n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vke n GLY 74 N 0.81 0.55 3.77 0.62 0.00 -0.88 -4.77 105.19 105.30 1vke n GLY 74 Ca 0.09 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1vke n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vke s ALA 75 N -2.00 3.49 0.59 4.61 0.00 -0.33 -5.02 121.76 123.11 1vke s ALA 75 Ca 0.00 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1vke s ALA 75 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1vke s ALA 75 CO 0.00 -0.61 0.93 -1.54 0.00 0.00 0.00 175.76 174.54 1vke s SER 76 N -0.52 5.83 0.25 0.00 1.04 -1.26 -4.66 113.70 114.38 1vke s SER 76 Ca 0.49 0.97 -0.05 0.00 0.48 0.00 0.00 55.95 57.84 1vke s SER 76 Cb -0.39 -2.01 0.35 0.00 0.10 0.00 0.00 66.02 64.07 1vke s SER 76 CO 0.52 -0.97 1.86 0.44 0.98 0.00 0.00 173.24 176.07 1vke h ASP 77 N -0.20 0.90 -0.61 7.02 3.32 -1.99 -1.80 116.42 123.07 1vke h ASP 77 Ca -0.45 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1vke h ASP 77 Cb 1.23 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1vke h ASP 77 CO 0.62 0.58 0.25 -0.08 -1.72 0.00 0.00 179.24 178.89 1vke h GLU 78 N 1.04 0.90 -0.42 3.56 4.81 -1.99 0.13 114.58 122.62 1vke h GLU 78 Ca 0.39 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1vke h GLU 78 Cb 0.16 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1vke h GLU 78 CO -0.17 0.76 0.21 0.93 -0.73 0.00 0.00 179.01 180.01 1vke h GLU 79 N 0.84 0.41 -0.40 1.92 5.08 -1.88 -0.58 114.58 119.97 1vke h GLU 79 Ca 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1vke h GLU 79 Cb 0.19 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1vke h GLU 79 CO -0.02 0.27 0.17 0.82 -1.00 0.00 0.00 179.01 179.25 1vke h ILE 80 N 0.42 1.19 -0.78 3.13 2.04 -0.76 -2.08 117.51 120.67 1vke h ILE 80 Ca 0.18 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1vke h ILE 80 Cb 0.09 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1vke h ILE 80 CO -0.13 0.21 0.48 -0.26 0.00 0.00 0.00 178.15 178.45 1vke h PHE 81 N 0.50 1.01 -0.37 1.37 0.04 -0.55 0.32 116.94 119.26 1vke h PHE 81 Ca 0.14 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1vke h PHE 81 Cb 0.16 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1vke h PHE 81 CO -0.01 0.67 -0.05 0.93 -0.60 0.00 0.00 178.31 179.26 1vke h GLU 82 N 1.06 0.61 -0.23 1.51 5.08 -0.82 -0.36 114.58 121.43 1vke h GLU 82 Ca 0.28 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1vke h GLU 82 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1vke h GLU 82 CO -0.05 0.67 0.01 0.00 -1.00 0.00 0.00 179.01 178.63 1vke h ALA 83 N 1.38 0.32 -0.16 3.43 0.00 -0.93 -3.00 119.26 120.30 1vke h ALA 83 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1vke h ALA 83 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1vke h ALA 83 CO 0.02 0.03 -0.07 -0.07 0.00 0.00 0.00 179.25 179.16 1vke h LEU 84 N 0.19 0.22 -0.95 0.00 3.38 -0.65 -2.04 115.31 115.45 1vke h LEU 84 Ca 0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1vke h LEU 84 Cb 0.39 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1vke h LEU 84 CO 0.01 0.32 0.21 0.44 0.09 0.00 0.00 178.44 179.51 1vke h ASP 85 N 0.23 0.90 -0.34 -0.43 3.32 -1.00 0.07 116.42 119.17 1vke h ASP 85 Ca 0.05 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1vke h ASP 85 Cb 0.28 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1vke h ASP 85 CO 0.01 0.84 0.20 0.40 -1.72 0.00 0.00 179.24 178.97 1vke h ILE 86 N 0.94 1.11 -0.77 0.35 2.04 -1.25 -2.21 117.51 117.72 1vke h ILE 86 Ca 0.21 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1vke h ILE 86 Cb 0.26 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1vke h ILE 86 CO -0.01 0.11 0.39 0.00 0.00 0.00 0.00 178.15 178.64 1vke h ALA 87 N 1.08 1.23 0.25 1.87 0.00 -1.02 -1.45 119.26 121.22 1vke h ALA 87 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vke h ALA 87 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1vke h ALA 87 CO -0.02 0.60 -0.15 1.25 0.00 0.00 0.00 179.25 180.92 1vke h LEU 88 N 1.09 -0.38 -0.48 0.00 5.85 -0.80 0.37 115.31 120.96 1vke h LEU 88 Ca 0.27 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 1vke h LEU 88 Cb 0.08 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1vke h LEU 88 CO -0.04 -0.25 0.04 0.58 -0.34 0.00 0.00 178.44 178.43 1vke h VAL 89 N -0.39 1.26 -0.18 1.05 2.07 -1.28 -0.12 116.25 118.66 1vke h VAL 89 Ca -0.03 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1vke h VAL 89 Cb 0.33 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1vke h VAL 89 CO 0.03 0.35 -0.00 0.58 0.02 0.00 0.00 177.57 178.54 1vke h VAL 90 N 0.68 1.25 0.00 2.57 2.07 -1.26 -3.32 116.25 118.24 1vke h VAL 90 Ca 0.14 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1vke h VAL 90 Cb 0.45 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1vke h VAL 90 CO 0.02 0.26 -0.69 0.61 0.02 0.00 0.00 177.57 177.79 1vke n GLY 91 N -0.30 -1.35 0.00 2.17 0.00 0.11 -5.07 105.19 100.76 1vke n GLY 91 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1vke n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vke n GLY 92 N 1.37 0.13 0.25 -0.02 0.00 -0.06 -4.48 105.19 102.38 1vke n GLY 92 Ca 0.03 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.41 1vke n GLY 92 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vke h SER 93 N 0.00 0.00 -0.12 1.61 4.64 -1.93 -0.54 113.55 117.21 1vke h SER 93 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1vke h SER 93 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vke h SER 93 CO 0.00 0.00 0.18 -0.29 -0.87 0.00 0.00 176.83 175.85 1vke h ILE 94 N 0.00 0.33 0.00 0.95 6.09 -1.93 -1.74 117.51 121.21 1vke h ILE 94 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1vke h ILE 94 Cb 0.12 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.26 1vke h ILE 94 CO 0.00 0.00 0.00 1.33 -3.07 0.00 0.00 178.15 176.41 1vke n VAL 95 N -3.56 0.13 -0.16 2.19 0.24 -0.21 -4.38 118.33 112.57 1vke n VAL 95 Ca 0.00 0.03 -0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1vke n VAL 95 Cb 0.28 -0.57 0.07 0.00 -1.47 0.00 0.00 33.84 32.15 1vke n VAL 95 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1vke h ILE 96 N 0.00 0.77 -0.86 1.34 2.04 -1.50 -0.70 117.51 118.60 1vke h ILE 96 Ca 0.00 -0.10 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1vke h ILE 96 Cb 0.44 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1vke h ILE 96 CO 0.00 0.05 0.56 -0.65 0.00 0.00 0.00 178.15 178.11 1vke h PRO 97 N 0.30 0.70 -0.20 2.37 0.11 -1.82 -0.42 132.00 133.04 1vke h PRO 97 Ca 0.25 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.14 1vke h PRO 97 Cb 0.31 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1vke h PRO 97 CO -0.29 0.47 -0.61 0.45 -0.21 0.00 0.00 178.00 177.80 1vke h HIS 98 N 0.72 0.87 -0.44 0.65 3.86 -1.47 -2.40 115.15 116.95 1vke h HIS 98 Ca 0.42 -0.33 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1vke h HIS 98 Cb 0.60 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1vke h HIS 98 CO -0.00 1.11 -0.00 1.25 0.86 0.00 0.00 177.93 181.15 1vke h LEU 99 N 0.51 0.77 -0.54 2.43 5.85 -0.56 -0.78 115.31 122.98 1vke h LEU 99 Ca -0.00 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1vke h LEU 99 Cb 1.19 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1vke h LEU 99 CO 0.12 0.89 0.23 0.03 -0.34 0.00 0.00 178.44 179.38 1vke h ARG 100 N 0.63 0.43 -0.54 1.25 -0.00 -1.03 -1.72 114.38 113.40 1vke h ARG 100 Ca 0.12 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.49 1vke h ARG 100 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.35 1vke h ARG 100 CO 0.02 0.29 0.00 0.00 0.00 0.00 0.00 179.97 180.28 1vke h ARG 101 N 0.45 0.93 -0.19 0.04 3.08 -1.24 -2.05 114.38 115.39 1vke h ARG 101 Ca 0.25 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1vke h ARG 101 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1vke h ARG 101 CO -0.22 0.92 0.09 0.00 -1.07 0.00 0.00 179.97 179.69 1vke h ALA 102 N 1.14 0.23 -0.54 0.04 0.00 -0.71 -1.45 119.26 117.96 1vke h ALA 102 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1vke h ALA 102 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1vke h ALA 102 CO 0.02 -0.33 0.14 0.28 0.00 0.00 0.00 179.25 179.37 1vke h VAL 103 N 0.20 1.24 -0.97 0.00 2.07 -1.27 0.16 116.25 117.69 1vke h VAL 103 Ca 0.08 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.83 1vke h VAL 103 Cb 0.02 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1vke h VAL 103 CO -0.05 0.31 0.62 1.23 0.02 0.00 0.00 177.57 179.69 1vke h GLY 104 N 0.76 1.52 1.22 2.17 0.00 -1.12 -1.40 103.07 106.23 1vke h GLY 104 Ca 0.17 -0.44 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 1vke h GLY 104 CO -0.00 0.25 -0.98 -2.75 0.00 0.00 0.00 176.54 173.07 1vke h PHE 105 N 1.06 1.03 -0.70 5.60 3.57 -0.69 -2.47 116.94 124.35 1vke h PHE 105 Ca 0.45 -0.54 0.08 0.00 3.53 0.00 0.00 57.97 61.49 1vke h PHE 105 Cb 0.29 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 1vke h PHE 105 CO -0.01 1.37 0.36 1.25 -2.23 0.00 0.00 178.31 179.05 1vke h LEU 106 N 0.42 0.49 -1.17 0.59 5.85 -0.40 -1.26 115.31 119.83 1vke h LEU 106 Ca -0.11 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1vke h LEU 106 Cb 1.62 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.58 1vke h LEU 106 CO 0.19 0.30 0.37 -0.33 -0.34 0.00 0.00 178.44 178.62 1vke h GLU 107 N 0.63 0.94 -0.36 1.25 5.08 -1.11 -0.85 114.58 120.16 1vke h GLU 107 Ca 0.33 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1vke h GLU 107 Cb 0.31 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1vke h GLU 107 CO -0.24 0.69 0.23 1.49 -1.00 0.00 0.00 179.01 180.18 1vke h GLU 108 N 0.94 0.46 -0.61 2.33 4.81 -0.81 -1.59 114.58 120.11 1vke h GLU 108 Ca 0.24 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1vke h GLU 108 Cb 0.03 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1vke h GLU 108 CO -0.04 0.30 0.08 -0.07 -0.73 0.00 0.00 179.01 178.55 1vke h LEU 109 N 0.47 0.96 -1.02 1.64 3.38 -0.59 -1.80 115.31 118.35 1vke h LEU 109 Ca 0.14 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1vke h LEU 109 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1vke h LEU 109 CO -0.04 0.97 -0.21 0.03 0.09 0.00 0.00 178.44 179.28 1vke h ARG 110 N 0.94 0.45 -0.41 1.13 2.47 -1.05 0.12 114.38 118.04 1vke h ARG 110 Ca 0.19 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.65 1vke h ARG 110 Cb 0.44 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1vke h ARG 110 CO 0.01 0.64 -0.13 1.49 0.56 0.00 0.00 179.97 182.55 1vke h GLU 111 N 0.41 0.81 -0.72 0.04 4.57 -0.88 -1.20 114.58 117.60 1vke h GLU 111 Ca 0.07 -0.32 0.05 0.00 -1.18 0.00 0.00 59.36 57.97 1vke h GLU 111 Cb 0.60 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.10 1vke h GLU 111 CO 0.04 0.95 0.43 0.52 -1.18 0.00 0.00 179.01 179.77 1vke h MET 112 N 0.62 0.79 -0.29 1.92 2.86 -1.04 -0.84 114.93 118.95 1vke h MET 112 Ca 0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1vke h MET 112 Cb 0.67 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1vke h MET 112 CO 0.05 0.52 0.19 1.49 1.06 0.00 0.00 176.91 180.23 1vke h GLU 113 N 0.82 0.39 -0.92 1.72 4.81 -0.82 -0.04 114.58 120.53 1vke h GLU 113 Ca 0.31 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.55 1vke h GLU 113 Cb 0.11 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1vke h GLU 113 CO -0.15 0.26 0.59 -0.22 -0.73 0.00 0.00 179.01 178.76 1vke h LYS 114 N 0.40 1.10 -0.01 1.92 1.63 -0.87 -2.85 116.57 117.90 1vke h LYS 114 Ca 0.11 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1vke h LYS 114 Cb -0.04 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.34 1vke h LYS 114 CO -0.02 0.73 -0.22 0.09 -3.45 0.00 0.00 179.45 176.58 1vke n ASN 115 N -4.52 0.82 0.00 4.20 3.02 -0.35 -5.11 115.26 113.32 1vke n ASN 115 Ca 0.12 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 1vke n ASN 115 Cb 0.11 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1vke n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25