#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvc s SER 2 N 0.00 6.12 -0.22 1.61 0.01 -1.26 -4.98 113.70 114.98 2kvc s SER 2 Ca 0.00 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.01 2kvc s SER 2 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 2kvc s SER 2 CO 0.00 -1.81 0.17 -1.00 0.41 0.00 0.00 173.24 171.02 2kvc s HIS 3 N 5.99 3.36 0.27 2.43 3.76 -1.26 -4.98 115.29 124.86 2kvc s HIS 3 Ca 0.43 0.30 0.19 0.00 -0.15 0.00 0.00 55.06 55.82 2kvc s HIS 3 Cb -0.09 -2.25 0.85 0.00 1.11 0.00 0.00 32.58 32.20 2kvc s HIS 3 CO 0.19 0.14 1.83 0.52 -0.85 0.00 0.00 174.74 176.57 2kvc h MET 4 N 7.20 0.00 -0.99 1.40 2.86 -2.01 -2.74 114.93 120.66 2kvc h MET 4 Ca -0.39 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.28 2kvc h MET 4 Cb 1.16 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.77 2kvc h MET 4 CO 0.70 0.32 0.65 -0.97 1.06 0.00 0.00 176.91 178.67 2kvc h ASN 5 N 0.00 1.10 -0.64 1.22 -0.73 -2.00 -1.78 115.58 112.75 2kvc h ASN 5 Ca -0.00 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 2kvc h ASN 5 Cb 0.72 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 39.02 2kvc h ASN 5 CO 0.04 0.77 0.36 0.03 -0.37 0.00 0.00 177.43 178.26 2kvc h ARG 6 N 1.29 0.90 -0.59 6.67 3.08 -1.92 -1.68 114.38 122.13 2kvc h ARG 6 Ca 0.38 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.30 2kvc h ARG 6 Cb -0.07 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 2kvc h ARG 6 CO -0.10 0.67 0.26 0.35 -1.07 0.00 0.00 179.97 180.08 2kvc h PHE 7 N 0.88 0.87 -0.39 3.04 3.57 -1.40 0.16 116.94 123.66 2kvc h PHE 7 Ca 0.23 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2kvc h PHE 7 Cb 0.03 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2kvc h PHE 7 CO -0.01 0.68 0.14 -0.07 -2.23 0.00 0.00 178.31 176.82 2kvc h LEU 8 N 0.81 0.55 -1.21 0.59 3.38 -1.07 0.59 115.31 118.95 2kvc h LEU 8 Ca 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kvc h LEU 8 Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2kvc h LEU 8 CO -0.02 0.59 0.34 0.74 0.09 0.00 0.00 178.44 180.18 2kvc h THR 9 N 0.48 1.20 -0.24 0.22 2.02 -1.00 -0.90 112.91 114.68 2kvc h THR 9 Ca 0.13 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 2kvc h THR 9 Cb 0.23 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 2kvc h THR 9 CO -0.01 0.22 -0.24 -1.28 0.37 0.00 0.00 175.52 174.58 2kvc h SER 10 N 0.89 0.46 -0.33 4.18 0.87 -0.07 -0.19 113.55 119.36 2kvc h SER 10 Ca 0.23 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2kvc h SER 10 Cb 0.04 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2kvc h SER 10 CO -0.04 0.71 0.06 0.40 -0.53 0.00 0.00 176.83 177.43 2kvc h ILE 11 N 0.41 1.23 -0.29 2.23 1.08 -0.03 0.15 117.51 122.29 2kvc h ILE 11 Ca 0.06 -0.80 0.06 0.00 -0.39 0.00 0.00 64.86 63.79 2kvc h ILE 11 Cb 0.65 1.12 -0.06 0.00 -3.07 0.00 0.00 36.82 35.46 2kvc h ILE 11 CO 0.05 0.27 -0.10 0.58 -0.69 0.00 0.00 178.15 178.26 2kvc h VAL 12 N 0.38 0.66 -0.68 1.67 2.07 -0.78 0.30 116.25 119.87 2kvc h VAL 12 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2kvc h VAL 12 Cb 0.34 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2kvc h VAL 12 CO 0.00 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.03 2kvc h ALA 13 N 1.24 0.86 -0.15 1.67 0.00 -0.85 -0.34 119.26 121.69 2kvc h ALA 13 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2kvc h ALA 13 Cb 0.25 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2kvc h ALA 13 CO -0.32 0.31 -0.03 2.35 0.00 0.00 0.00 179.25 181.56 2kvc h TRP 14 N 0.92 -0.06 -0.21 0.00 7.01 0.02 0.21 115.95 123.83 2kvc h TRP 14 Ca 0.25 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 2kvc h TRP 14 Cb -0.07 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 2kvc h TRP 14 CO -0.02 -0.05 0.07 -0.07 -2.79 0.00 0.00 178.44 175.57 2kvc h LEU 15 N 0.01 0.30 -0.72 0.65 3.38 -0.06 0.28 115.31 119.14 2kvc h LEU 15 Ca 0.07 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2kvc h LEU 15 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kvc h LEU 15 CO -0.14 0.41 -0.46 0.08 0.09 0.00 0.00 178.44 178.41 2kvc h ARG 16 N 0.17 0.41 0.00 1.13 0.11 -0.97 -1.84 114.38 113.39 2kvc h ARG 16 Ca 0.07 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 59.86 2kvc h ARG 16 Cb 0.21 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 2kvc h ARG 16 CO -0.00 0.80 -0.30 0.00 0.10 0.00 0.00 179.97 180.56 2kvc h ALA 17 N 1.17 1.42 0.00 0.08 0.00 -0.40 -0.96 119.26 120.57 2kvc h ALA 17 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2kvc h ALA 17 Cb 0.94 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kvc h ALA 17 CO 0.08 0.38 -0.33 0.78 0.00 0.00 0.00 179.25 180.16 2kvc h GLY 18 N 1.02 0.00 -6.05 0.00 0.00 -0.14 -3.37 103.07 94.53 2kvc h GLY 18 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 2kvc h GLY 18 CO 0.04 0.00 -1.04 -1.72 0.00 0.00 0.00 176.54 173.82 2kvc n TYR 19 N -4.13 -0.72 0.56 5.60 4.01 -0.48 -4.86 117.16 117.13 2kvc n TYR 19 Ca -0.02 -3.37 0.10 0.00 -0.16 0.00 0.00 57.90 54.45 2kvc n TYR 19 Cb 0.37 -0.06 0.42 0.00 -0.31 0.00 0.00 39.34 39.77 2kvc n TYR 19 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kvc n PRO 20 N 1.88 0.08 -0.06 -0.72 -0.04 -0.50 -1.90 135.00 133.73 2kvc n PRO 20 Ca 0.23 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 2kvc n PRO 20 Cb 0.52 -1.64 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 2kvc n PRO 20 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kvc n GLU 21 N -1.79 2.26 0.00 0.54 1.02 -1.26 -5.03 120.64 116.38 2kvc n GLU 21 Ca 0.04 -1.85 0.00 0.00 -0.02 0.00 0.00 57.16 55.33 2kvc n GLU 21 Cb 0.24 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kvc n GLY 22 N 1.36 3.27 3.56 0.62 0.00 -0.80 -5.03 105.19 108.17 2kvc n GLY 22 Ca 0.16 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2kvc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kvc s ILE 23 N -1.52 4.96 0.63 -0.61 1.09 -1.26 -4.83 121.20 119.67 2kvc s ILE 23 Ca 0.00 0.39 -0.17 0.00 -1.10 0.00 0.00 60.65 59.78 2kvc s ILE 23 Cb 0.00 -4.02 -0.01 0.00 -1.06 0.00 0.00 42.46 37.37 2kvc s ILE 23 CO 0.00 -0.28 1.15 -2.84 -0.10 0.00 0.00 174.94 172.87 2kvc s PRO 24 N 2.52 2.84 0.12 2.79 0.02 -1.26 -4.02 135.00 138.01 2kvc s PRO 24 Ca 0.21 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.60 2kvc s PRO 24 Cb -0.15 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 2kvc s PRO 24 CO 0.14 -1.25 1.71 -1.35 -0.33 0.00 0.00 177.00 175.92 2kvc h PRO 25 N 0.39 -0.00 0.30 5.54 0.11 -1.96 -2.26 132.00 134.11 2kvc h PRO 25 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2kvc h PRO 25 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2kvc h PRO 25 CO 0.54 -0.00 -0.20 1.79 -0.21 0.00 0.00 178.00 179.92 2kvc h THR 26 N -0.01 0.58 0.00 -1.15 1.35 -2.02 -2.83 112.91 108.84 2kvc h THR 26 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2kvc h THR 26 Cb 0.11 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.11 2kvc h THR 26 CO -0.15 0.00 -0.02 0.44 -0.25 0.00 0.00 175.52 175.54 2kvc h ASP 27 N -0.49 0.00 -0.22 5.36 5.19 -1.89 0.53 116.42 124.89 2kvc h ASP 27 Ca -0.03 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2kvc h ASP 27 Cb 0.41 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2kvc h ASP 27 CO 0.02 0.02 -0.03 0.28 -3.12 0.00 0.00 179.24 176.41 2kvc h SER 28 N 0.00 0.51 0.21 6.45 0.02 -1.14 0.21 113.55 119.81 2kvc h SER 28 Ca -0.00 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.68 2kvc h SER 28 Cb 0.11 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2kvc h SER 28 CO 0.00 0.61 -0.63 -0.26 -1.14 0.00 0.00 176.83 175.41 2kvc h PHE 29 N 0.51 0.53 -0.49 3.45 -1.00 -0.95 -0.97 116.94 118.02 2kvc h PHE 29 Ca 0.11 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 2kvc h PHE 29 Cb 0.38 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 2kvc h PHE 29 CO 0.01 0.93 0.11 0.00 -1.61 0.00 0.00 178.31 177.75 2kvc h ALA 30 N 1.02 0.65 -0.40 2.45 0.00 -1.28 -0.51 119.26 121.19 2kvc h ALA 30 Ca -0.01 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kvc h ALA 30 Cb 1.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2kvc h ALA 30 CO 0.11 0.35 0.10 0.28 0.00 0.00 0.00 179.25 180.09 2kvc h VAL 31 N 0.68 0.82 -0.38 0.00 2.07 -0.41 -1.11 116.25 117.92 2kvc h VAL 31 Ca 0.15 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2kvc h VAL 31 Cb 0.34 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 2kvc h VAL 31 CO 0.00 0.04 -0.04 0.25 0.02 0.00 0.00 177.57 177.85 2kvc h LEU 32 N 0.24 -0.23 0.17 2.57 5.85 -0.81 0.24 115.31 123.34 2kvc h LEU 32 Ca 0.19 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2kvc h LEU 32 Cb 0.21 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2kvc h LEU 32 CO -0.23 -0.08 -0.10 0.00 -0.34 0.00 0.00 178.44 177.69 2kvc h ALA 33 N 1.35 -0.25 -0.09 1.25 0.00 -0.43 -0.53 119.26 120.56 2kvc h ALA 33 Ca 0.19 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2kvc h ALA 33 Cb 0.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kvc h ALA 33 CO -0.34 -0.65 -0.20 1.25 0.00 0.00 0.00 179.25 179.31 2kvc h LEU 34 N -0.26 0.33 -0.91 0.00 7.12 -1.05 -3.29 115.31 117.26 2kvc h LEU 34 Ca -0.02 -0.57 -0.10 0.00 0.13 0.00 0.00 57.88 57.32 2kvc h LEU 34 Cb 0.21 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.23 2kvc h LEU 34 CO 0.02 0.85 -0.28 0.25 -0.13 0.00 0.00 178.44 179.15 2kvc h LEU 35 N -0.17 0.48 -1.02 2.25 5.85 -0.50 -2.02 115.31 120.17 2kvc h LEU 35 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2kvc h LEU 35 Cb 0.80 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2kvc h LEU 35 CO 0.04 0.75 0.00 0.00 -0.34 0.00 0.00 178.44 178.89 2kvc n ARG 37 N -2.24 0.17 0.00 0.00 1.74 -0.76 -3.98 116.66 111.60 2kvc n ARG 37 Ca 0.00 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 2kvc n ARG 37 Cb 0.14 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2kvc n ARG 37 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2kvc n ARG 38 N -2.07 0.00 -4.33 5.56 0.63 -0.54 -5.06 116.66 110.86 2kvc n ARG 38 Ca 0.04 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.63 2kvc n ARG 38 Cb 0.29 -0.52 -0.11 0.00 0.45 0.00 0.00 32.46 32.56 2kvc n ARG 38 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kvc s LEU 39 N -5.56 3.41 1.01 6.15 1.43 0.79 -5.11 118.68 120.81 2kvc s LEU 39 Ca 0.00 -0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 2kvc s LEU 39 Cb 0.00 -1.82 0.21 0.00 0.03 0.00 0.00 46.19 44.61 2kvc s LEU 39 CO 0.00 0.21 1.24 -0.44 0.23 0.00 0.00 176.35 177.59 2kvc s SER 40 N 0.16 2.66 0.61 2.29 0.01 -1.26 -3.22 113.70 114.95 2kvc s SER 40 Ca 0.00 0.45 0.34 0.00 1.31 0.00 0.00 55.95 58.05 2kvc s SER 40 Cb -0.13 -0.61 1.97 0.00 0.21 0.00 0.00 66.02 67.45 2kvc s SER 40 CO 0.02 -3.03 2.27 1.12 0.41 0.00 0.00 173.24 174.03 2kvc h HIS 41 N -1.84 0.00 0.26 2.43 2.07 -1.92 -0.85 115.15 115.31 2kvc h HIS 41 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 2kvc h HIS 41 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.25 2kvc h HIS 41 CO -1.20 0.01 -0.13 -0.44 -3.07 0.00 0.00 177.93 173.10 2kvc h ASP 42 N 0.00 -0.30 -0.32 3.10 3.32 -1.93 0.59 116.42 120.88 2kvc h ASP 42 Ca -0.00 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.86 2kvc h ASP 42 Cb 0.05 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2kvc h ASP 42 CO 0.00 0.12 0.09 -0.33 -1.72 0.00 0.00 179.24 177.40 2kvc h GLU 43 N -0.77 0.21 -0.14 3.56 3.07 -1.69 -1.15 114.58 117.67 2kvc h GLU 43 Ca -0.04 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 2kvc h GLU 43 Cb 0.50 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2kvc h GLU 43 CO 0.06 0.14 -0.31 -0.39 -1.40 0.00 0.00 179.01 177.11 2kvc h VAL 44 N 0.22 1.27 -0.25 3.13 -1.51 -1.25 -1.20 116.25 116.66 2kvc h VAL 44 Ca 0.15 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.33 2kvc h VAL 44 Cb 0.14 1.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 2kvc h VAL 44 CO -0.17 0.39 0.12 0.50 -1.23 0.00 0.00 177.57 177.18 2kvc h LYS 45 N 0.23 0.36 -0.04 5.19 3.64 -0.21 0.30 116.57 126.04 2kvc h LYS 45 Ca 0.03 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kvc h LYS 45 Cb 0.67 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2kvc h LYS 45 CO 0.05 0.36 -0.04 0.00 -2.27 0.00 0.00 179.45 177.55 2kvc h ALA 46 N 0.98 0.00 0.12 5.00 0.00 -0.95 0.90 119.26 125.32 2kvc h ALA 46 Ca 0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kvc h ALA 46 Cb 0.12 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2kvc h ALA 46 CO -0.01 -0.52 -0.23 0.28 0.00 0.00 0.00 179.25 178.77 2kvc h VAL 47 N -0.05 0.48 -0.37 0.00 2.07 -1.03 -1.25 116.25 116.10 2kvc h VAL 47 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2kvc h VAL 47 Cb 0.09 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2kvc h VAL 47 CO -0.07 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.62 2kvc h ALA 48 N 0.34 1.49 0.21 1.67 0.00 -0.28 0.54 119.26 123.23 2kvc h ALA 48 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2kvc h ALA 48 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kvc h ALA 48 CO -0.13 0.38 -0.10 -0.97 0.00 0.00 0.00 179.25 178.43 2kvc h ASN 49 N 0.53 -0.24 0.52 0.00 -1.24 -0.30 0.02 115.58 114.87 2kvc h ASN 49 Ca 0.13 -0.06 -0.20 0.00 0.71 0.00 0.00 56.30 56.89 2kvc h ASN 49 Cb 0.18 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 2kvc h ASN 49 CO -0.01 -0.10 -0.86 1.05 -1.29 0.00 0.00 177.43 176.23 2kvc h GLU 50 N -0.37 0.24 -0.45 6.67 4.11 -0.94 -2.42 114.58 121.42 2kvc h GLU 50 Ca -0.03 -0.24 0.01 0.00 0.07 0.00 0.00 59.36 59.17 2kvc h GLU 50 Cb 0.28 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2kvc h GLU 50 CO 0.05 0.96 0.28 1.25 0.07 0.00 0.00 179.01 181.62 2kvc h LEU 51 N 0.14 0.47 0.09 3.06 5.85 0.18 0.11 115.31 125.21 2kvc h LEU 51 Ca -0.04 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kvc h LEU 51 Cb 1.47 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2kvc h LEU 51 CO 0.13 0.34 -0.04 0.24 -0.34 0.00 0.00 178.44 178.77 2kvc h MET 52 N 0.57 -0.11 0.05 1.25 2.86 -0.99 -3.01 114.93 115.54 2kvc h MET 52 Ca 0.17 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2kvc h MET 52 Cb -0.03 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2kvc h MET 52 CO -0.06 0.20 -0.02 0.00 1.06 0.00 0.00 176.91 178.09 2kvc h ARG 53 N -0.44 -0.06 -0.11 1.72 2.47 -1.25 -3.14 114.38 113.58 2kvc h ARG 53 Ca -0.01 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 2kvc h ARG 53 Cb 0.37 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2kvc h ARG 53 CO 0.02 0.23 -0.26 -0.07 0.56 0.00 0.00 179.97 180.44 2kvc h LEU 54 N -0.35 0.19 0.00 3.04 3.38 -0.91 -3.44 115.31 117.22 2kvc h LEU 54 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kvc h LEU 54 Cb 0.32 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kvc h LEU 54 CO 0.01 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2kvc n GLY 55 N -0.58 1.89 3.15 0.83 0.00 -1.14 -5.10 105.19 104.25 2kvc n GLY 55 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2kvc n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kvc s ASP 56 N 0.81 0.49 0.37 1.61 -1.08 -1.23 -4.90 116.67 112.73 2kvc s ASP 56 Ca 0.00 -1.16 -0.15 0.00 -0.52 0.00 0.00 52.55 50.72 2kvc s ASP 56 Cb 0.00 0.25 0.05 0.00 -1.46 0.00 0.00 42.92 41.75 2kvc s ASP 56 CO 0.00 -0.68 0.75 0.12 0.52 0.00 0.00 175.17 175.88 2kvc s PHE 57 N -3.96 0.19 0.40 -5.34 2.19 -1.26 -4.76 117.98 105.44 2kvc s PHE 57 Ca 0.21 -0.79 -0.10 0.00 0.33 0.00 0.00 56.93 56.57 2kvc s PHE 57 Cb 0.07 0.72 -0.06 0.00 -1.31 0.00 0.00 43.02 42.44 2kvc s PHE 57 CO -0.00 -1.49 0.76 0.34 1.83 0.00 0.00 175.22 176.66 2kvc s ASP 58 N -3.07 6.51 -1.25 6.13 2.15 -1.26 -4.96 116.67 120.92 2kvc s ASP 58 Ca 0.17 1.11 -0.19 0.00 0.43 0.00 0.00 52.55 54.06 2kvc s ASP 58 Cb -0.05 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2kvc s ASP 58 CO 0.12 -0.39 1.89 0.00 -0.17 0.00 0.00 175.17 176.61 2kvc n GLN 59 N -1.30 2.57 -4.19 4.34 3.00 -1.26 -4.87 117.38 115.67 2kvc n GLN 59 Ca 0.02 -2.83 -0.17 0.00 -0.01 0.00 0.00 57.00 54.01 2kvc n GLN 59 Cb 0.54 -3.47 -0.12 0.00 0.00 0.00 0.00 30.24 27.19 2kvc n GLN 59 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 2kvc s ILE 60 N 5.91 0.91 -0.96 5.09 -4.36 -1.26 -5.09 121.20 121.44 2kvc s ILE 60 Ca 0.57 -1.10 -0.16 0.00 -0.26 0.00 0.00 60.65 59.70 2kvc s ILE 60 Cb 0.05 -0.88 0.16 0.00 1.25 0.00 0.00 42.46 43.04 2kvc s ILE 60 CO 0.07 -0.19 1.10 1.51 0.24 0.00 0.00 174.94 177.68 2kvc s ASP 61 N -1.43 6.77 0.28 4.36 -4.77 -1.26 -4.82 116.67 115.79 2kvc s ASP 61 Ca -0.03 -2.42 0.06 0.00 -3.30 0.00 0.00 52.55 46.86 2kvc s ASP 61 Cb -0.09 -2.35 0.39 0.00 -1.09 0.00 0.00 42.92 39.78 2kvc s ASP 61 CO 0.01 -0.87 1.65 0.40 0.70 0.00 0.00 175.17 177.07 2kvc h ILE 62 N 5.30 1.34 -0.61 2.11 2.04 -1.98 -2.48 117.51 123.24 2kvc h ILE 62 Ca 0.17 -1.71 0.11 0.00 1.00 0.00 0.00 64.86 64.44 2kvc h ILE 62 Cb 1.00 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 2kvc h ILE 62 CO 1.05 0.51 0.41 1.23 0.00 0.00 0.00 178.15 181.35 2kvc h GLY 63 N 1.34 0.53 0.87 5.37 0.00 -1.96 0.52 103.07 109.75 2kvc h GLY 63 Ca 0.01 -0.15 -0.28 0.00 0.00 0.00 0.00 47.33 46.91 2kvc h GLY 63 CO 0.07 0.08 -1.29 -2.08 0.00 0.00 0.00 176.54 173.32 2kvc h VAL 64 N 0.36 1.25 -0.47 4.60 2.07 -1.89 -3.27 116.25 118.90 2kvc h VAL 64 Ca 0.29 -2.56 0.02 0.00 0.82 0.00 0.00 66.70 65.27 2kvc h VAL 64 Cb 0.64 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 2kvc h VAL 64 CO -0.08 0.77 0.28 0.58 0.02 0.00 0.00 177.57 179.14 2kvc h VAL 65 N -0.12 1.05 0.00 2.57 2.07 -0.83 0.15 116.25 121.13 2kvc h VAL 65 Ca -0.24 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2kvc h VAL 65 Cb 1.91 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2kvc h VAL 65 CO 0.18 0.10 0.00 0.16 0.02 0.00 0.00 177.57 178.03 2kvc h ILE 66 N 0.55 0.00 -0.01 4.57 3.07 -1.10 -2.92 117.51 121.67 2kvc h ILE 66 Ca 0.19 -0.77 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2kvc h ILE 66 Cb 0.02 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.33 2kvc h ILE 66 CO -0.09 0.00 -0.39 0.35 -1.05 0.00 0.00 178.15 176.97 2kvc n THR 67 N -2.97 0.00 -3.32 0.16 -2.24 -1.03 -4.72 114.28 100.15 2kvc n THR 67 Ca 0.03 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.36 2kvc n THR 67 Cb 0.44 1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 69.81 2kvc n THR 67 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2kvc s HIS 68 N -2.08 -0.47 0.23 4.78 5.65 0.48 -5.06 115.29 118.82 2kvc s HIS 68 Ca 0.14 -0.76 -0.32 0.00 0.25 0.00 0.00 55.06 54.38 2kvc s HIS 68 Cb 0.14 -0.31 -0.12 0.00 -1.18 0.00 0.00 32.58 31.11 2kvc s HIS 68 CO 0.46 -1.00 1.63 1.19 -0.65 0.00 0.00 174.74 176.37 2kvc n PHE 69 N 4.13 2.66 -1.62 3.88 3.01 -1.19 -4.37 117.46 123.97 2kvc n PHE 69 Ca 0.12 0.18 -0.34 0.00 1.01 0.00 0.00 57.45 58.42 2kvc n PHE 69 Cb 0.47 -2.61 0.07 0.00 -0.01 0.00 0.00 39.48 37.40 2kvc n PHE 69 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kvc s THR 70 N 0.64 2.69 0.02 4.37 2.01 -1.25 -4.96 115.64 119.15 2kvc s THR 70 Ca 0.71 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.97 2kvc s THR 70 Cb -0.54 -2.91 -0.31 0.00 0.01 0.00 0.00 72.50 68.76 2kvc s THR 70 CO 0.40 -0.18 0.93 -0.78 -0.69 0.00 0.00 174.62 174.31 2kvc h ASP 71 N -0.03 0.56 0.63 3.53 3.58 -2.00 -3.35 116.42 119.33 2kvc h ASP 71 Ca -0.48 -0.68 -0.20 0.00 0.42 0.00 0.00 57.03 56.09 2kvc h ASP 71 Cb 1.28 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 2kvc h ASP 71 CO 0.52 1.55 -1.50 -0.62 -2.88 0.00 0.00 179.24 176.31 2kvc n GLU 72 N -3.57 0.62 -4.17 0.28 1.02 -1.26 -4.93 120.64 108.64 2kvc n GLU 72 Ca -0.16 0.23 -0.26 0.00 -0.02 0.00 0.00 57.16 56.95 2kvc n GLU 72 Cb 1.06 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 2kvc n GLU 72 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kvc s LEU 73 N -5.82 3.48 0.69 -4.62 2.01 -1.26 -4.52 118.68 108.65 2kvc s LEU 73 Ca -0.03 -0.34 -0.05 0.00 0.01 0.00 0.00 54.13 53.72 2kvc s LEU 73 Cb 0.09 -2.09 0.07 0.00 0.01 0.00 0.00 46.19 44.27 2kvc s LEU 73 CO 0.82 0.06 0.99 -2.16 1.01 0.00 0.00 176.35 177.06 2kvc s PRO 74 N -3.16 2.08 -0.00 1.29 0.04 -1.26 -3.84 135.00 130.15 2kvc s PRO 74 Ca 0.29 -0.49 -0.10 0.00 0.04 0.00 0.00 61.00 60.74 2kvc s PRO 74 Cb -0.09 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2kvc s PRO 74 CO 0.21 -1.25 0.33 -1.12 0.04 0.00 0.00 177.00 175.20 2kvc s SER 75 N -4.56 6.62 0.23 6.66 0.01 -1.26 -4.98 113.70 116.42 2kvc s SER 75 Ca 0.61 0.74 -0.07 0.00 1.31 0.00 0.00 55.95 58.55 2kvc s SER 75 Cb -0.09 -2.16 0.30 0.00 0.21 0.00 0.00 66.02 64.28 2kvc s SER 75 CO 0.44 0.29 1.83 -0.65 0.41 0.00 0.00 173.24 175.55 2kvc h PRO 76 N 4.34 0.81 -0.40 12.44 0.11 -1.99 0.19 132.00 147.51 2kvc h PRO 76 Ca -0.51 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 2kvc h PRO 76 Cb 1.21 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 2kvc h PRO 76 CO 0.63 0.54 0.12 0.93 -0.21 0.00 0.00 178.00 180.01 2kvc h GLU 77 N 0.84 0.62 -0.38 1.05 3.07 -1.99 -1.01 114.58 116.77 2kvc h GLU 77 Ca 0.35 -0.13 0.02 0.00 -0.50 0.00 0.00 59.36 59.09 2kvc h GLU 77 Cb 0.20 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 2kvc h GLU 77 CO -0.19 0.62 0.23 0.22 -1.40 0.00 0.00 179.01 178.49 2kvc h ASP 78 N 0.50 0.37 -0.16 1.42 3.58 -1.78 -0.66 116.42 119.70 2kvc h ASP 78 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2kvc h ASP 78 Cb 0.26 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2kvc h ASP 78 CO -0.00 0.26 0.10 0.58 -2.88 0.00 0.00 179.24 177.30 2kvc h VAL 79 N 0.46 1.04 0.00 2.25 2.07 -0.37 -1.21 116.25 120.49 2kvc h VAL 79 Ca 0.15 -0.08 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 2kvc h VAL 79 Cb 0.00 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2kvc h VAL 79 CO -0.07 0.04 -0.40 -0.08 0.02 0.00 0.00 177.57 177.08 2kvc h GLU 80 N 0.21 0.00 -0.12 1.57 4.81 -1.00 -0.58 114.58 119.47 2kvc h GLU 80 Ca 0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2kvc h GLU 80 Cb -0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2kvc h GLU 80 CO -0.01 0.40 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.54 2kvc h ARG 81 N 0.00 0.24 -0.32 1.92 2.43 -0.75 -0.87 114.38 117.03 2kvc h ARG 81 Ca -0.00 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2kvc h ARG 81 Cb 0.81 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2kvc h ARG 81 CO 0.05 0.55 -0.00 -0.24 -1.51 0.00 0.00 179.97 178.82 2kvc h VAL 82 N -0.08 1.19 0.08 0.20 3.04 -1.00 -0.12 116.25 119.56 2kvc h VAL 82 Ca 0.03 -0.74 0.01 0.00 -1.01 0.00 0.00 66.70 64.98 2kvc h VAL 82 Cb 0.46 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.68 2kvc h VAL 82 CO 0.01 0.25 -0.10 -0.09 -1.01 0.00 0.00 177.57 176.64 2kvc h ARG 83 N 0.47 -0.21 -0.23 4.17 2.43 -0.92 -0.11 114.38 119.99 2kvc h ARG 83 Ca 0.10 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2kvc h ARG 83 Cb 0.31 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2kvc h ARG 83 CO 0.01 -0.14 0.07 0.00 -1.51 0.00 0.00 179.97 178.40 2kvc h ALA 84 N 0.68 0.30 -0.33 2.80 0.00 -0.72 -1.27 119.26 120.72 2kvc h ALA 84 Ca 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kvc h ALA 84 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kvc h ALA 84 CO -0.04 -0.07 0.20 0.00 0.00 0.00 0.00 179.25 179.34 2kvc h ARG 85 N 0.19 0.44 -0.01 0.00 3.08 -0.94 -2.86 114.38 114.28 2kvc h ARG 85 Ca 0.07 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.95 2kvc h ARG 85 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 2kvc h ARG 85 CO -0.00 0.32 -0.64 -0.07 -1.07 0.00 0.00 179.97 178.51 2kvc h LEU 86 N 0.43 0.07 -2.14 3.04 -0.00 -0.99 -2.97 115.31 112.75 2kvc h LEU 86 Ca 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2kvc h LEU 86 Cb -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2kvc h LEU 86 CO -0.02 0.69 -0.07 0.00 -0.00 0.00 0.00 178.44 179.04 2kvc h ALA 87 N 1.31 1.37 0.00 1.53 0.00 -1.00 -1.80 119.26 120.68 2kvc h ALA 87 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2kvc h ALA 87 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kvc h ALA 87 CO 0.09 0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.29 2kvc h ALA 88 N 1.93 1.14 0.00 0.00 0.00 -1.41 -0.97 119.26 119.95 2kvc h ALA 88 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2kvc h ALA 88 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kvc h ALA 88 CO 0.01 0.18 -0.55 1.04 0.00 0.00 0.00 179.25 179.93 2kvc n GLN 89 N -3.46 0.03 0.00 0.00 3.00 -0.68 -5.05 117.38 111.22 2kvc n GLN 89 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2kvc n GLN 89 Cb 0.31 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 29.03 2kvc n GLN 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kvc n GLY 90 N 1.48 1.86 2.47 1.08 0.00 -0.37 -5.01 105.19 106.70 2kvc n GLY 90 Ca 0.05 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 2kvc n GLY 90 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kvc s TRP 91 N -1.52 1.34 -2.00 1.61 -0.11 -1.26 -3.95 118.94 113.04 2kvc s TRP 91 Ca 0.00 -2.35 0.03 0.00 1.22 0.00 0.00 56.10 55.00 2kvc s TRP 91 Cb 0.00 -1.15 0.19 0.00 -1.50 0.00 0.00 33.47 31.02 2kvc s TRP 91 CO 0.00 -0.80 0.88 -0.35 -4.62 0.00 0.00 176.95 172.07 2kvc n PRO 92 N 2.93 0.74 0.00 5.86 -0.04 -1.26 -2.56 135.00 140.68 2kvc n PRO 92 Ca 0.26 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2kvc n PRO 92 Cb 0.45 -1.07 0.42 0.00 -0.04 0.00 0.00 33.50 33.26 2kvc n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kvc n LEU 93 N -0.57 0.28 -4.18 1.53 4.77 -1.26 -4.88 117.00 112.69 2kvc n LEU 93 Ca 0.02 0.22 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 2kvc n LEU 93 Cb 0.01 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 2kvc n LEU 93 CO 0.02 0.07 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.39 2kvc s ASP 94 N -2.99 0.44 0.23 -1.43 2.15 -1.06 -4.97 116.67 109.03 2kvc s ASP 94 Ca 0.13 -1.40 0.11 0.00 0.43 0.00 0.00 52.55 51.82 2kvc s ASP 94 Cb 0.18 0.46 -0.05 0.00 -0.30 0.00 0.00 42.92 43.21 2kvc s ASP 94 CO 0.62 -0.95 -0.22 -1.81 -0.17 0.00 0.00 175.17 172.64 2kvc s ASP 95 N -3.18 3.41 -0.26 -0.34 1.11 -1.26 -4.92 116.67 111.23 2kvc s ASP 95 Ca 0.36 -0.94 -0.14 0.00 0.18 0.00 0.00 52.55 52.02 2kvc s ASP 95 Cb 0.05 -0.26 -0.04 0.00 1.07 0.00 0.00 42.92 43.74 2kvc s ASP 95 CO 0.15 0.07 0.33 -0.69 1.18 0.00 0.00 175.17 176.21 2kvc s VAL 96 N -2.08 5.21 0.00 -1.27 1.01 -1.26 -5.06 120.40 116.96 2kvc s VAL 96 Ca 0.24 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2kvc s VAL 96 Cb -0.06 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2kvc s VAL 96 CO 0.12 0.20 0.00 0.54 0.00 0.00 0.00 175.10 175.96 2kvc n ARG 97 N 5.04 3.73 -1.02 2.72 1.74 -1.26 -4.77 116.66 122.84 2kvc n ARG 97 Ca -0.10 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 2kvc n ARG 97 Cb 0.51 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.95 2kvc n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kvc n ASP 98 N 0.00 -3.82 -2.57 0.55 8.00 -1.26 -4.87 116.55 112.58 2kvc n ASP 98 Ca 0.00 0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.38 2kvc n ASP 98 Cb 0.00 -1.37 0.02 0.00 -0.02 0.00 0.00 41.12 39.75 2kvc n ASP 98 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kvc n ARG 99 N -1.98 2.17 -2.08 -1.24 1.74 -1.26 -5.06 116.66 108.95 2kvc n ARG 99 Ca -0.01 -3.75 -0.42 0.00 -0.77 0.00 0.00 57.85 52.91 2kvc n ARG 99 Cb 0.14 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kvc s GLU 100 N -3.43 3.18 0.32 5.56 0.41 -1.26 -4.96 118.70 118.52 2kvc s GLU 100 Ca 0.36 1.08 0.02 0.00 -0.41 0.00 0.00 54.97 56.02 2kvc s GLU 100 Cb 0.41 -4.22 -0.03 0.00 -1.78 0.00 0.00 34.13 28.51 2kvc s GLU 100 CO -0.04 -2.05 0.50 -1.21 -0.49 0.00 0.00 175.26 171.97 2kvc s GLU 101 N 5.92 3.41 0.21 1.61 0.41 -1.26 -5.12 118.70 123.89 2kvc s GLU 101 Ca 0.72 -0.52 0.02 0.00 -0.41 0.00 0.00 54.97 54.78 2kvc s GLU 101 Cb -0.18 -2.73 -0.05 0.00 -1.78 0.00 0.00 34.13 29.39 2kvc s GLU 101 CO 0.30 0.19 0.04 -3.38 -0.49 0.00 0.00 175.26 171.92 2kvc s HIS 102 N -2.23 1.38 -2.48 1.61 -3.43 -1.26 -5.28 115.29 103.60 2kvc s HIS 102 Ca 0.39 -1.08 0.20 0.00 -0.80 0.00 0.00 55.06 53.77 2kvc s HIS 102 Cb -0.09 -0.80 0.16 0.00 -1.43 0.00 0.00 32.58 30.42 2kvc s HIS 102 CO 0.34 -0.25 1.13 0.00 -2.00 0.00 0.00 174.74 173.95