#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vke s THR 22 N 0.00 0.50 0.29 2.61 -4.23 -1.26 -4.99 115.64 108.56 1vke s THR 22 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1vke s THR 22 Cb 0.00 -2.31 0.28 0.00 1.34 0.00 0.00 72.50 71.82 1vke s THR 22 CO 0.00 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.18 1vke h LEU 23 N 1.76 0.93 -0.72 4.79 5.85 -2.05 -1.61 115.31 124.26 1vke h LEU 23 Ca -0.34 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1vke h LEU 23 Cb 1.27 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1vke h LEU 23 CO 0.54 0.52 0.25 0.78 -0.34 0.00 0.00 178.44 180.19 1vke h ASN 24 N 1.02 1.03 -0.38 1.25 2.35 -1.99 -1.64 115.58 117.22 1vke h ASN 24 Ca 0.48 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1vke h ASN 24 Cb 0.42 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1vke h ASN 24 CO -0.24 0.95 0.22 0.74 -1.65 0.00 0.00 177.43 177.45 1vke h THR 25 N 1.06 1.14 -0.68 2.81 2.02 -1.71 -0.88 112.91 116.66 1vke h THR 25 Ca 0.24 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1vke h THR 25 Cb 0.27 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1vke h THR 25 CO -0.01 0.14 0.43 0.11 0.37 0.00 0.00 175.52 176.55 1vke h LYS 26 N 0.50 0.92 -0.64 6.66 1.57 -1.19 -1.39 116.57 123.00 1vke h LYS 26 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1vke h LYS 26 Cb 0.03 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1vke h LYS 26 CO -0.02 0.64 0.22 0.00 -0.57 0.00 0.00 179.45 179.71 1vke h ARG 27 N 0.93 0.98 -0.23 3.15 3.08 -1.04 -0.70 114.38 120.55 1vke h ARG 27 Ca 0.25 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1vke h ARG 27 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1vke h ARG 27 CO -0.05 0.85 0.12 0.35 -1.07 0.00 0.00 179.97 180.18 1vke h PHE 28 N 0.91 0.31 -0.98 3.04 3.57 -0.87 -0.97 116.94 121.95 1vke h PHE 28 Ca 0.21 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 1vke h PHE 28 Cb 0.27 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1vke h PHE 28 CO 0.02 0.27 0.65 0.74 -2.23 0.00 0.00 178.31 177.75 1vke h PHE 29 N 0.26 1.22 -0.78 0.41 -1.00 -0.99 -0.83 116.94 115.22 1vke h PHE 29 Ca 0.08 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 1vke h PHE 29 Cb 0.06 -0.41 -0.03 0.00 3.61 0.00 0.00 35.95 39.18 1vke h PHE 29 CO -0.04 0.73 0.30 -0.91 -1.61 0.00 0.00 178.31 176.78 1vke h ASN 30 N 1.28 1.08 -0.51 2.17 2.35 -0.80 -2.30 115.58 118.85 1vke h ASN 30 Ca 0.38 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 1vke h ASN 30 Cb -0.06 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1vke h ASN 30 CO -0.11 0.96 -0.02 0.25 -1.65 0.00 0.00 177.43 176.87 1vke h LEU 31 N 1.14 0.94 -0.85 1.61 5.85 -0.50 -1.31 115.31 122.19 1vke h LEU 31 Ca 0.26 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1vke h LEU 31 Cb 0.23 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1vke h LEU 31 CO -0.02 1.01 0.56 -0.78 -0.34 0.00 0.00 178.44 178.87 1vke h ASP 32 N 0.88 0.96 -0.36 1.25 3.58 -0.84 -1.21 116.42 120.67 1vke h ASP 32 Ca 0.16 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1vke h ASP 32 Cb 0.55 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1vke h ASP 32 CO 0.03 0.69 0.03 0.28 -2.88 0.00 0.00 179.24 177.38 1vke h SER 33 N 1.13 0.60 -0.50 2.28 0.02 -1.16 -3.30 113.55 112.62 1vke h SER 33 Ca 0.32 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1vke h SER 33 Cb -0.10 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1vke h SER 33 CO -0.08 0.74 0.14 0.00 -1.14 0.00 0.00 176.83 176.50 1vke h ALA 34 N 0.88 1.22 0.00 3.77 0.00 -0.71 -2.87 119.26 121.55 1vke h ALA 34 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vke h ALA 34 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vke h ALA 34 CO 0.01 0.54 0.00 -0.39 0.00 0.00 0.00 179.25 179.41 1vke h VAL 35 N 0.81 0.00 -0.02 0.00 -1.51 -1.31 -1.80 116.25 112.42 1vke h VAL 35 Ca 0.18 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1vke h VAL 35 Cb 0.28 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 1vke h VAL 35 CO -0.00 0.00 -0.15 -1.22 -1.23 0.00 0.00 177.57 174.97 1vke n TYR 36 N -2.63 0.00 -2.44 5.19 4.01 -1.08 -4.92 117.16 115.29 1vke n TYR 36 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1vke n TYR 36 Cb 0.21 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.23 4.14 0.65 -0.72 0.52 -0.68 -4.80 118.95 115.83 1vke s ARG 37 Ca 0.29 1.65 -0.14 0.00 -0.52 0.00 0.00 55.73 57.01 1vke s ARG 37 Cb 0.20 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 1vke s ARG 37 CO 0.42 -0.20 1.07 -1.25 0.02 0.00 0.00 175.30 175.37 1vke s PRO 38 N -2.37 2.97 0.00 3.54 0.04 -1.26 -4.96 135.00 132.96 1vke s PRO 38 Ca 0.57 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1vke s PRO 38 Cb -0.26 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1vke s PRO 38 CO 0.32 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1vke n GLY 39 N -1.12 4.32 0.24 0.56 0.00 -1.26 -4.95 105.19 102.97 1vke n GLY 39 Ca 0.09 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.66 1.61 1.79 -2.05 -3.40 116.57 108.86 1vke h LYS 40 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1vke h LYS 40 Cb 0.00 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.57 1vke h LYS 40 CO 0.00 0.19 -0.29 -0.51 -1.08 0.00 0.00 179.45 177.76 1vke s LEU 41 N -7.46 4.32 0.81 2.94 1.43 -1.26 -5.09 118.68 114.38 1vke s LEU 41 Ca -0.02 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.61 1vke s LEU 41 Cb 0.13 -2.42 0.08 0.00 0.03 0.00 0.00 46.19 44.00 1vke s LEU 41 CO 0.63 0.18 1.10 1.51 0.23 0.00 0.00 176.35 180.00 1vke s ASP 42 N -0.05 4.37 0.25 2.29 1.47 -1.26 -4.51 116.67 119.23 1vke s ASP 42 Ca 0.19 1.28 -0.02 0.00 1.18 0.00 0.00 52.55 55.18 1vke s ASP 42 Cb -0.14 -2.00 0.32 0.00 -0.34 0.00 0.00 42.92 40.76 1vke s ASP 42 CO 0.07 -2.04 1.75 1.62 0.68 0.00 0.00 175.17 177.24 1vke h VAL 43 N -1.14 1.24 -0.45 2.11 3.04 -1.93 -1.54 116.25 117.59 1vke h VAL 43 Ca -0.47 -1.02 0.01 0.00 -1.01 0.00 0.00 66.70 64.21 1vke h VAL 43 Cb 1.27 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.42 1vke h VAL 43 CO 0.59 0.36 0.28 0.50 -1.01 0.00 0.00 177.57 178.29 1vke h LYS 44 N 0.75 0.55 -0.13 4.17 3.64 -1.93 0.13 116.57 123.74 1vke h LYS 44 Ca 0.14 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1vke h LYS 44 Cb 0.47 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1vke h LYS 44 CO 0.02 0.36 -0.12 1.15 -2.27 0.00 0.00 179.45 178.59 1vke h THR 45 N 0.56 0.67 -0.62 1.00 2.02 -1.87 -0.00 112.91 114.66 1vke h THR 45 Ca 0.17 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 1vke h THR 45 Cb -0.02 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1vke h THR 45 CO -0.06 0.00 0.16 0.11 0.37 0.00 0.00 175.52 176.10 1vke h LYS 46 N -0.14 0.97 -0.29 6.66 1.57 -0.94 -0.22 116.57 124.18 1vke h LYS 46 Ca 0.09 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1vke h LYS 46 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1vke h LYS 46 CO -0.21 0.85 -0.37 0.93 -0.57 0.00 0.00 179.45 180.08 1vke h GLU 47 N 0.93 0.66 -0.55 3.15 4.39 -0.74 -0.19 114.58 122.22 1vke h GLU 47 Ca 0.20 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1vke h GLU 47 Cb 0.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 1vke h GLU 47 CO -0.00 0.92 0.23 -0.07 -1.16 0.00 0.00 179.01 178.93 1vke h LEU 48 N 0.55 0.72 -0.44 1.33 3.38 -0.67 -0.61 115.31 119.57 1vke h LEU 48 Ca 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1vke h LEU 48 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1vke h LEU 48 CO 0.08 0.64 0.16 0.24 0.09 0.00 0.00 178.44 179.65 1vke h MET 49 N 0.79 0.66 -0.66 1.13 2.86 -0.52 -0.29 114.93 118.90 1vke h MET 49 Ca 0.19 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.80 1vke h MET 49 Cb 0.14 -0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 1vke h MET 49 CO -0.02 0.62 0.26 0.78 1.06 0.00 0.00 176.91 179.62 1vke h GLY 50 N 0.56 0.94 0.96 8.32 0.00 -0.67 -0.27 103.07 112.93 1vke h GLY 50 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vke h GLY 50 CO -0.01 -0.02 0.18 -2.00 0.00 0.00 0.00 176.54 174.69 1vke h LEU 51 N 0.45 0.39 -0.18 3.11 5.85 -0.68 0.30 115.31 124.55 1vke h LEU 51 Ca 0.33 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1vke h LEU 51 Cb 0.42 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1vke h LEU 51 CO -0.32 0.35 0.04 0.58 -0.34 0.00 0.00 178.44 178.75 1vke h VAL 52 N 0.39 0.93 -0.47 1.05 2.07 -0.71 -0.95 116.25 118.56 1vke h VAL 52 Ca 0.11 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 1vke h VAL 52 Cb 0.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1vke h VAL 52 CO -0.02 0.02 0.14 0.00 0.02 0.00 0.00 177.57 177.73 1vke h ALA 53 N 1.12 0.62 -0.40 1.67 0.00 -0.91 -1.45 119.26 119.91 1vke h ALA 53 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1vke h ALA 53 Cb 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1vke h ALA 53 CO -0.10 0.28 0.18 0.77 0.00 0.00 0.00 179.25 180.38 1vke h SER 54 N 0.63 0.50 0.01 0.00 0.02 -0.78 -1.77 113.55 112.16 1vke h SER 54 Ca 0.15 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1vke h SER 54 Cb 0.28 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1vke h SER 54 CO -0.00 0.44 -0.11 0.74 -1.14 0.00 0.00 176.83 176.76 1vke h THR 55 N 0.56 1.64 0.00 -2.27 2.02 -0.77 -1.50 112.91 112.59 1vke h THR 55 Ca 0.14 -2.01 -0.05 0.00 0.77 0.00 0.00 66.41 65.26 1vke h THR 55 Cb 0.08 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1vke h THR 55 CO -0.02 0.53 -0.21 -0.37 0.37 0.00 0.00 175.52 175.82 1vke h VAL 56 N -0.73 0.86 -0.04 3.16 -1.51 -1.24 -1.66 116.25 115.09 1vke h VAL 56 Ca -0.02 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 1vke h VAL 56 Cb 0.93 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1vke h VAL 56 CO 0.02 0.21 0.00 0.18 -1.23 0.00 0.00 177.57 176.75 1vke n LEU 57 N -3.86 1.32 -3.57 4.19 4.77 -0.67 -4.90 117.00 114.28 1vke n LEU 57 Ca -0.02 -0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 55.29 1vke n LEU 57 Cb 0.31 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 1vke n LEU 57 CO 0.34 0.23 -0.02 0.54 -1.33 0.00 0.00 177.39 177.15 1vke n ARG 58 N 0.04 -3.96 -3.81 3.23 1.74 -0.63 -5.00 116.66 108.29 1vke n ARG 58 Ca 0.19 0.67 -0.36 0.00 -0.77 0.00 0.00 57.85 57.58 1vke n ARG 58 Cb 0.32 -5.22 -0.12 0.00 -1.02 0.00 0.00 32.46 26.41 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 8.05 0.51 -0.13 0.00 3.32 -1.94 -0.21 116.42 126.02 1vke h ASP 60 Ca -0.16 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 1vke h ASP 60 Cb 1.05 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1vke h ASP 60 CO 0.65 0.40 -0.09 0.44 -1.72 0.00 0.00 179.24 178.91 1vke h ASP 61 N 0.58 0.43 -0.20 6.45 3.32 -1.98 -0.85 116.42 124.17 1vke h ASP 61 Ca 0.16 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1vke h ASP 61 Cb -0.03 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1vke h ASP 61 CO -0.03 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 1vke h ILE 63 N 0.12 0.81 -0.23 0.00 2.04 -0.73 -1.73 117.51 117.78 1vke h ILE 63 Ca 0.06 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1vke h ILE 63 Cb 0.38 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1vke h ILE 63 CO 0.01 0.03 0.10 0.03 0.00 0.00 0.00 178.15 178.32 1vke h ARG 64 N 0.18 0.21 -0.14 2.37 3.08 -1.02 0.35 114.38 119.41 1vke h ARG 64 Ca 0.17 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1vke h ARG 64 Cb 0.21 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1vke h ARG 64 CO -0.24 0.14 -0.12 -0.92 -1.07 0.00 0.00 179.97 177.76 1vke h TYR 65 N 0.22 -0.31 0.00 3.04 3.20 -1.05 -1.77 116.97 120.30 1vke h TYR 65 Ca 0.10 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 1vke h TYR 65 Cb 0.05 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1vke h TYR 65 CO -0.11 -0.19 -0.45 0.45 -1.64 0.00 0.00 178.16 176.23 1vke h HIS 66 N -0.14 0.00 0.01 -3.82 3.86 -1.04 -2.02 115.15 112.00 1vke h HIS 66 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1vke h HIS 66 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1vke h HIS 66 CO -0.25 0.45 -0.01 -0.07 0.86 0.00 0.00 177.93 178.91 1vke h LEU 67 N 0.00 -0.01 -0.35 2.43 3.38 -0.64 0.13 115.31 120.24 1vke h LEU 67 Ca -0.00 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1vke h LEU 67 Cb 0.96 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1vke h LEU 67 CO 0.06 0.04 -0.19 0.58 0.09 0.00 0.00 178.44 179.02 1vke h VAL 68 N -0.07 0.45 -0.87 1.22 2.07 -1.05 -0.72 116.25 117.29 1vke h VAL 68 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1vke h VAL 68 Cb 0.06 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1vke h VAL 68 CO 0.00 0.00 0.57 0.03 0.02 0.00 0.00 177.57 178.20 1vke h ARG 69 N -0.13 1.14 -0.39 1.57 2.47 -1.13 0.18 114.38 118.08 1vke h ARG 69 Ca 0.18 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1vke h ARG 69 Cb 0.41 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 1vke h ARG 69 CO -0.43 0.75 0.24 0.00 0.56 0.00 0.00 179.97 181.09 1vke h VAL 71 N 0.52 1.06 -0.94 0.00 2.07 -0.78 -0.30 116.25 117.88 1vke h VAL 71 Ca 0.14 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1vke h VAL 71 Cb -0.00 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1vke h VAL 71 CO -0.03 0.07 0.60 1.56 0.02 0.00 0.00 177.57 179.79 1vke h GLN 72 N 0.37 0.93 -0.55 1.57 4.20 -0.56 -1.47 115.11 119.60 1vke h GLN 72 Ca 0.11 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1vke h GLN 72 Cb -0.03 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1vke h GLN 72 CO -0.03 0.61 0.00 0.39 -0.67 0.00 0.00 178.83 179.13 1vke n GLU 73 N -4.55 2.36 -0.78 1.46 -0.58 -0.17 -4.91 120.64 113.46 1vke n GLU 73 Ca 0.16 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1vke n GLU 73 Cb 0.31 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.56 3.77 0.62 0.00 -0.55 -4.79 105.19 105.61 1vke n GLY 74 Ca 0.14 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 0.55 4.61 0.00 -0.16 -5.01 121.76 123.25 1vke s ALA 75 Ca 0.00 1.46 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 1vke s ALA 75 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1vke s ALA 75 CO 0.00 -0.96 0.90 -1.54 0.00 0.00 0.00 175.76 174.16 1vke s SER 76 N -0.31 6.15 0.26 0.00 1.04 -1.26 -4.66 113.70 114.91 1vke s SER 76 Ca 0.53 1.09 -0.03 0.00 0.48 0.00 0.00 55.95 58.03 1vke s SER 76 Cb -0.44 -2.26 0.43 0.00 0.10 0.00 0.00 66.02 63.85 1vke s SER 76 CO 0.59 -0.76 1.83 0.44 0.98 0.00 0.00 173.24 176.31 1vke h ASP 77 N -0.05 0.78 -0.46 7.02 3.32 -1.99 -1.36 116.42 123.68 1vke h ASP 77 Ca -0.46 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1vke h ASP 77 Cb 1.21 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1vke h ASP 77 CO 0.62 0.45 0.25 -0.08 -1.72 0.00 0.00 179.24 178.76 1vke h GLU 78 N 0.89 0.65 -0.45 3.56 4.57 -1.99 0.14 114.58 121.95 1vke h GLU 78 Ca 0.42 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.53 1vke h GLU 78 Cb 0.36 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1vke h GLU 78 CO -0.24 0.52 0.29 0.93 -1.18 0.00 0.00 179.01 179.33 1vke h GLU 79 N 0.61 0.56 -0.23 1.92 5.08 -1.83 -0.41 114.58 120.28 1vke h GLU 79 Ca 0.16 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1vke h GLU 79 Cb 0.06 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1vke h GLU 79 CO -0.03 0.37 0.13 0.82 -1.00 0.00 0.00 179.01 179.30 1vke h ILE 80 N 0.58 1.01 -0.90 3.13 2.04 -0.92 -2.06 117.51 120.39 1vke h ILE 80 Ca 0.17 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1vke h ILE 80 Cb -0.03 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1vke h ILE 80 CO -0.06 0.05 0.51 -0.26 0.00 0.00 0.00 178.15 178.39 1vke h PHE 81 N 0.27 1.22 -0.56 1.37 0.04 -0.41 0.45 116.94 119.33 1vke h PHE 81 Ca 0.09 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.78 1vke h PHE 81 Cb 0.01 -0.39 -0.03 0.00 2.20 0.00 0.00 35.95 37.74 1vke h PHE 81 CO -0.08 0.84 0.11 0.93 -0.60 0.00 0.00 178.31 179.51 1vke h GLU 82 N 1.26 0.88 -0.20 1.51 5.08 -0.85 0.19 114.58 122.44 1vke h GLU 82 Ca 0.32 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1vke h GLU 82 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1vke h GLU 82 CO -0.05 0.80 -0.05 0.00 -1.00 0.00 0.00 179.01 178.71 1vke h ALA 83 N 1.28 0.27 -0.59 3.43 0.00 -1.02 -2.96 119.26 119.68 1vke h ALA 83 Ca 0.18 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1vke h ALA 83 Cb 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1vke h ALA 83 CO 0.00 0.05 0.39 -0.07 0.00 0.00 0.00 179.25 179.63 1vke h LEU 84 N 0.11 0.61 -0.95 0.00 3.38 -0.66 -2.26 115.31 115.54 1vke h LEU 84 Ca 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1vke h LEU 84 Cb 0.50 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1vke h LEU 84 CO 0.02 0.43 0.30 0.44 0.09 0.00 0.00 178.44 179.72 1vke h ASP 85 N 0.72 0.97 -0.26 -0.43 3.32 -0.86 -0.07 116.42 119.81 1vke h ASP 85 Ca 0.23 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1vke h ASP 85 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1vke h ASP 85 CO -0.06 0.85 0.14 0.40 -1.72 0.00 0.00 179.24 178.85 1vke h ILE 86 N 1.04 1.13 -0.65 0.35 2.04 -1.27 -1.58 117.51 118.57 1vke h ILE 86 Ca 0.24 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1vke h ILE 86 Cb 0.18 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1vke h ILE 86 CO -0.02 0.13 0.39 0.00 0.00 0.00 0.00 178.15 178.64 1vke h ALA 87 N 1.01 1.46 -0.26 1.87 0.00 -0.99 -0.77 119.26 121.58 1vke h ALA 87 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1vke h ALA 87 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1vke h ALA 87 CO -0.01 0.47 0.03 1.25 0.00 0.00 0.00 179.25 180.99 1vke h LEU 88 N 0.89 0.43 -0.19 0.00 5.85 -0.82 0.91 115.31 122.38 1vke h LEU 88 Ca 0.23 -0.27 -0.22 0.00 0.84 0.00 0.00 57.88 58.47 1vke h LEU 88 Cb -0.03 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 40.90 1vke h LEU 88 CO -0.04 0.59 -0.72 0.58 -0.34 0.00 0.00 178.44 178.50 1vke h VAL 89 N 0.24 1.27 -0.14 1.05 2.07 -1.04 0.32 116.25 120.03 1vke h VAL 89 Ca 0.08 -1.91 -0.06 0.00 0.82 0.00 0.00 66.70 65.63 1vke h VAL 89 Cb 0.35 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1vke h VAL 89 CO 0.01 0.61 -0.15 0.58 0.02 0.00 0.00 177.57 178.64 1vke h VAL 90 N 0.58 1.35 0.00 2.57 2.07 -1.14 -3.31 116.25 118.37 1vke h VAL 90 Ca -0.04 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1vke h VAL 90 Cb 1.35 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1vke h VAL 90 CO 0.15 0.39 -0.36 1.23 0.02 0.00 0.00 177.57 178.99 1vke h GLY 91 N -0.04 0.00 0.00 2.17 0.00 -0.87 -3.51 103.07 100.81 1vke h GLY 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1vke h GLY 91 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1vke n GLY 92 N 1.30 0.14 0.10 4.60 0.00 0.10 -4.50 105.19 106.93 1vke n GLY 92 Ca 0.04 -1.78 0.09 0.00 0.00 0.00 0.00 46.02 44.37 1vke n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vke n SER 93 N -0.92 0.44 0.28 1.61 3.41 -1.26 -1.43 113.62 115.74 1vke n SER 93 Ca 0.00 0.65 0.18 0.00 -0.26 0.00 0.00 58.87 59.44 1vke n SER 93 Cb 0.00 -0.72 0.95 0.00 -0.26 0.00 0.00 64.21 64.18 1vke n SER 93 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1vke h ILE 94 N 0.00 0.27 -0.00 -1.33 6.09 -1.93 -1.27 117.51 119.34 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 0.18 0.88 0.00 0.00 0.47 0.00 0.00 36.82 38.35 1vke h ILE 94 CO 0.00 0.00 -0.07 1.33 -3.07 0.00 0.00 178.15 176.34 1vke n VAL 95 N -3.47 0.00 -0.17 2.19 0.24 -0.52 -4.37 118.33 112.24 1vke n VAL 95 Ca -0.01 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.26 1vke n VAL 95 Cb 0.23 -0.34 0.08 0.00 -1.47 0.00 0.00 33.84 32.34 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 0.14 0.70 -0.84 1.34 2.04 -1.42 -0.28 117.51 119.19 1vke h ILE 96 Ca 0.00 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1vke h ILE 96 Cb 0.38 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1vke h ILE 96 CO 0.00 0.04 0.55 -0.65 0.00 0.00 0.00 178.15 178.09 1vke h PRO 97 N 0.24 0.83 -0.18 2.37 0.11 -1.82 -0.06 132.00 133.49 1vke h PRO 97 Ca 0.27 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1vke h PRO 97 Cb 0.37 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.29 1vke h PRO 97 CO -0.35 0.55 -0.63 0.45 -0.21 0.00 0.00 178.00 177.81 1vke h HIS 98 N 0.85 0.81 -0.51 0.65 3.86 -1.41 -2.29 115.15 117.11 1vke h HIS 98 Ca 0.38 -0.31 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1vke h HIS 98 Cb 0.35 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1vke h HIS 98 CO -0.00 1.09 0.27 1.25 0.86 0.00 0.00 177.93 181.40 1vke h LEU 99 N 0.46 0.65 -0.37 2.43 6.46 -0.60 0.55 115.31 124.89 1vke h LEU 99 Ca -0.01 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1vke h LEU 99 Cb 1.20 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.93 1vke h LEU 99 CO 0.12 0.56 0.13 0.03 -0.62 0.00 0.00 178.44 178.66 1vke h ARG 100 N 0.68 0.27 -0.39 1.25 3.08 -0.95 -1.27 114.38 117.05 1vke h ARG 100 Ca 0.18 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1vke h ARG 100 Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1vke h ARG 100 CO -0.03 0.18 0.02 0.00 -1.07 0.00 0.00 179.97 179.08 1vke h ARG 101 N 0.28 0.61 -0.07 0.04 3.08 -1.23 -1.87 114.38 115.22 1vke h ARG 101 Ca 0.17 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1vke h ARG 101 Cb 0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1vke h ARG 101 CO -0.17 0.62 0.04 0.00 -1.07 0.00 0.00 179.97 179.39 1vke h ALA 102 N 1.44 0.09 -0.75 0.04 0.00 -0.19 -1.23 119.26 118.66 1vke h ALA 102 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1vke h ALA 102 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1vke h ALA 102 CO 0.01 -0.36 0.30 0.28 0.00 0.00 0.00 179.25 179.47 1vke h VAL 103 N 0.02 1.25 -0.64 0.00 2.07 -1.14 -0.24 116.25 117.57 1vke h VAL 103 Ca 0.03 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1vke h VAL 103 Cb 0.09 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1vke h VAL 103 CO -0.00 0.32 0.35 1.23 0.02 0.00 0.00 177.57 179.49 1vke h GLY 104 N 1.13 0.96 1.02 2.17 0.00 -1.16 -1.66 103.07 105.53 1vke h GLY 104 Ca 0.25 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 1vke h GLY 104 CO -0.02 0.42 -0.05 -2.75 0.00 0.00 0.00 176.54 174.14 1vke h PHE 105 N 0.88 0.98 -0.58 5.60 3.57 -0.93 -2.26 116.94 124.20 1vke h PHE 105 Ca 0.23 -0.19 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1vke h PHE 105 Cb 0.04 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 38.47 1vke h PHE 105 CO -0.01 0.94 0.21 1.25 -2.23 0.00 0.00 178.31 178.47 1vke h LEU 106 N 0.74 0.19 -1.16 0.59 5.85 -0.87 -0.95 115.31 119.70 1vke h LEU 106 Ca 0.13 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1vke h LEU 106 Cb 0.58 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1vke h LEU 106 CO 0.04 0.12 0.50 -0.33 -0.34 0.00 0.00 178.44 178.42 1vke h GLU 107 N 0.38 1.07 -0.36 1.25 5.08 -1.08 -0.32 114.58 120.60 1vke h GLU 107 Ca 0.29 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1vke h GLU 107 Cb 0.36 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1vke h GLU 107 CO -0.30 0.73 0.17 0.93 -1.00 0.00 0.00 179.01 179.54 1vke h GLU 108 N 1.09 0.52 -0.52 2.33 5.08 -0.73 -1.12 114.58 121.23 1vke h GLU 108 Ca 0.29 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1vke h GLU 108 Cb -0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1vke h GLU 108 CO -0.06 0.47 0.27 -0.07 -1.00 0.00 0.00 179.01 178.63 1vke h LEU 109 N 0.45 0.40 -0.83 1.33 3.38 -0.52 -0.92 115.31 118.60 1vke h LEU 109 Ca 0.12 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1vke h LEU 109 Cb 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1vke h LEU 109 CO -0.02 0.28 0.11 0.03 0.09 0.00 0.00 178.44 178.93 1vke h ARG 110 N 0.53 0.99 -0.54 1.13 2.47 -0.85 -1.49 114.38 116.63 1vke h ARG 110 Ca 0.23 -0.24 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1vke h ARG 110 Cb 0.12 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1vke h ARG 110 CO -0.15 0.90 0.06 1.49 0.56 0.00 0.00 179.97 182.83 1vke h GLU 111 N 0.94 0.91 -0.21 0.04 4.81 -0.88 -0.25 114.58 119.94 1vke h GLU 111 Ca 0.19 -0.26 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1vke h GLU 111 Cb 0.39 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1vke h GLU 111 CO 0.01 0.90 -0.08 0.52 -0.73 0.00 0.00 179.01 179.63 1vke h MET 112 N 0.80 -0.04 -0.44 1.92 2.86 -0.87 -1.54 114.93 117.62 1vke h MET 112 Ca 0.16 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.89 1vke h MET 112 Cb 0.45 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 1vke h MET 112 CO 0.02 -0.03 -0.15 1.49 1.06 0.00 0.00 176.91 179.29 1vke h GLU 113 N -0.05 -0.05 0.00 1.72 4.81 -0.98 -0.55 114.58 119.48 1vke h GLU 113 Ca 0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1vke h GLU 113 Cb 0.21 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1vke h GLU 113 CO -0.25 -0.04 -0.01 0.87 -0.73 0.00 0.00 179.01 178.86 1vke h LYS 114 N -0.06 0.00 -0.20 1.92 1.57 -0.54 -1.84 116.57 117.42 1vke h LYS 114 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1vke h LYS 114 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1vke h LYS 114 CO -0.48 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 178.49 1vke n ASN 115 N -3.10 2.15 0.00 0.86 3.02 -0.55 -4.93 115.26 112.70 1vke n ASN 115 Ca -0.00 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.77 1vke n ASN 115 Cb 0.24 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 1vke n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vke n GLY 116 N 1.23 0.47 3.90 7.41 0.00 -0.69 -5.03 105.19 112.47 1vke n GLY 116 Ca 0.17 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1vke n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vke s GLU 117 N -0.84 3.67 -0.11 1.61 2.02 -0.32 -5.01 118.70 119.72 1vke s GLU 117 Ca 0.00 0.07 -0.14 0.00 0.02 0.00 0.00 54.97 54.92 1vke s GLU 117 Cb 0.00 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 1vke s GLU 117 CO 0.00 0.22 0.34 0.99 0.02 0.00 0.00 175.26 176.83 1vke s THR 118 N -2.06 5.24 -0.70 3.63 2.01 -1.26 -4.08 115.64 118.42 1vke s THR 118 Ca 0.45 0.66 -0.20 0.00 0.31 0.00 0.00 61.69 62.91 1vke s THR 118 Cb -0.11 -3.66 0.11 0.00 0.01 0.00 0.00 72.50 68.85 1vke s THR 118 CO 0.29 0.45 0.88 -0.63 -0.69 0.00 0.00 174.62 174.91 1vke s ILE 119 N -0.02 4.68 -0.15 1.82 1.09 -1.26 -5.04 121.20 122.32 1vke s ILE 119 Ca 0.20 -1.00 0.01 0.00 -1.10 0.00 0.00 60.65 58.76 1vke s ILE 119 Cb -0.14 -4.61 0.01 0.00 -1.06 0.00 0.00 42.46 36.65 1vke s ILE 119 CO 0.07 -1.31 0.54 -0.24 -0.10 0.00 0.00 174.94 173.90