#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 5.99 0.13 1.61 0.01 -1.26 -4.87 113.70 115.32 2kvc s SER 2 Ca 0.00 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.72 2kvc s SER 2 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2kvc s SER 2 CO 0.00 -1.94 -0.04 -2.28 0.41 0.00 0.00 173.24 169.39 2kvc s HIS 3 N 6.52 1.03 0.44 2.43 2.46 -1.26 -5.04 115.29 121.87 2kvc s HIS 3 Ca 0.46 -0.94 0.15 0.00 0.47 0.00 0.00 55.06 55.20 2kvc s HIS 3 Cb -0.07 -0.58 1.05 0.00 -0.13 0.00 0.00 32.58 32.85 2kvc s HIS 3 CO 0.09 -0.16 1.98 0.52 -2.47 0.00 0.00 174.74 174.70 2kvc h MET 4 N 2.86 0.37 -0.82 2.88 2.86 -2.00 -1.58 114.93 119.49 2kvc h MET 4 Ca -0.36 -0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.38 2kvc h MET 4 Cb 1.18 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 2kvc h MET 4 CO 0.64 0.24 0.44 -0.97 1.06 0.00 0.00 176.91 178.33 2kvc h ASN 5 N 0.38 0.59 -0.65 1.22 -0.73 -1.96 0.23 115.58 114.67 2kvc h ASN 5 Ca 0.28 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.51 2kvc h ASN 5 Cb 0.58 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 39.11 2kvc h ASN 5 CO -0.07 0.30 0.37 0.03 -0.37 0.00 0.00 177.43 177.69 2kvc h ARG 6 N 0.70 0.89 -0.19 6.67 2.47 -1.62 0.17 114.38 123.47 2kvc h ARG 6 Ca 0.42 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 59.00 2kvc h ARG 6 Cb 0.49 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2kvc h ARG 6 CO -0.30 0.65 -0.09 0.35 0.56 0.00 0.00 179.97 181.15 2kvc h PHE 7 N 0.88 0.45 -0.41 3.04 3.57 -1.26 -1.07 116.94 122.14 2kvc h PHE 7 Ca 0.23 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.64 2kvc h PHE 7 Cb 0.01 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2kvc h PHE 7 CO -0.01 0.69 0.23 -0.07 -2.23 0.00 0.00 178.31 176.91 2kvc h LEU 8 N 0.08 0.36 -0.79 0.59 3.38 -0.37 0.27 115.31 118.83 2kvc h LEU 8 Ca 0.04 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kvc h LEU 8 Cb 0.57 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2kvc h LEU 8 CO 0.03 0.26 0.38 0.74 0.09 0.00 0.00 178.44 179.93 2kvc h THR 9 N 0.46 1.25 -0.70 0.22 2.02 -0.92 -0.87 112.91 114.38 2kvc h THR 9 Ca 0.17 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 2kvc h THR 9 Cb 0.03 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2kvc h THR 9 CO -0.09 0.30 0.28 -1.28 0.37 0.00 0.00 175.52 175.10 2kvc h SER 10 N 1.12 0.97 -0.02 4.18 0.87 -0.56 -0.17 113.55 119.94 2kvc h SER 10 Ca 0.27 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2kvc h SER 10 Cb 0.12 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2kvc h SER 10 CO -0.03 0.88 0.00 0.40 -0.53 0.00 0.00 176.83 177.55 2kvc h ILE 11 N 1.00 1.19 -0.58 2.23 1.08 -0.56 0.76 117.51 122.64 2kvc h ILE 11 Ca 0.23 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 64.19 2kvc h ILE 11 Cb 0.21 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 2kvc h ILE 11 CO -0.02 0.15 0.28 0.58 -0.69 0.00 0.00 178.15 178.45 2kvc h VAL 12 N -0.21 0.91 -0.65 1.67 2.07 -1.02 0.22 116.25 119.24 2kvc h VAL 12 Ca 0.01 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 2kvc h VAL 12 Cb 0.24 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2kvc h VAL 12 CO 0.00 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.97 2kvc h ALA 13 N 1.33 0.85 -0.16 1.67 0.00 -0.90 -1.25 119.26 120.80 2kvc h ALA 13 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kvc h ALA 13 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kvc h ALA 13 CO -0.20 0.44 0.10 2.35 0.00 0.00 0.00 179.25 181.93 2kvc h TRP 14 N 0.91 0.21 -0.17 0.00 7.01 -0.00 -0.50 115.95 123.40 2kvc h TRP 14 Ca 0.22 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 2kvc h TRP 14 Cb 0.17 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2kvc h TRP 14 CO 0.01 0.17 0.09 -0.07 -2.79 0.00 0.00 178.44 175.84 2kvc h LEU 15 N 0.18 0.22 -0.75 0.65 3.38 -0.37 0.32 115.31 118.96 2kvc h LEU 15 Ca 0.06 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2kvc h LEU 15 Cb 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2kvc h LEU 15 CO -0.01 0.27 -0.12 0.08 0.09 0.00 0.00 178.44 178.75 2kvc h ARG 16 N 0.16 0.83 -0.06 1.13 0.11 -1.21 -2.28 114.38 113.05 2kvc h ARG 16 Ca 0.06 -0.29 -0.05 0.00 0.10 0.00 0.00 59.98 59.80 2kvc h ARG 16 Cb 0.10 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 2kvc h ARG 16 CO -0.01 0.91 -0.21 0.00 0.10 0.00 0.00 179.97 180.76 2kvc h ALA 17 N 1.11 1.53 0.00 0.08 0.00 -0.78 -1.46 119.26 119.75 2kvc h ALA 17 Ca 0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kvc h ALA 17 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kvc h ALA 17 CO 0.04 0.34 -0.29 0.78 0.00 0.00 0.00 179.25 180.13 2kvc h GLY 18 N 0.77 0.00 -6.46 0.00 0.00 -0.36 -3.37 103.07 93.66 2kvc h GLY 18 Ca 0.02 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.75 2kvc h GLY 18 CO 0.03 0.00 -0.93 -0.19 0.00 0.00 0.00 176.54 175.45 2kvc s TYR 19 N -4.23 1.34 0.34 5.60 2.02 -0.57 -4.83 117.35 117.02 2kvc s TYR 19 Ca -0.03 -2.40 0.23 0.00 -0.37 0.00 0.00 57.07 54.50 2kvc s TYR 19 Cb 0.14 -1.12 1.15 0.00 -0.40 0.00 0.00 41.96 41.73 2kvc s TYR 19 CO 0.69 -0.80 1.96 -1.00 -1.57 0.00 0.00 175.55 174.83 2kvc h PRO 20 N 5.70 0.00 0.00 -1.71 0.13 -1.68 -1.72 132.00 132.71 2kvc h PRO 20 Ca 0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 2kvc h PRO 20 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kvc h PRO 20 CO 0.40 0.21 -0.01 0.39 -0.23 0.00 0.00 178.00 178.76 2kvc n GLU 21 N -3.71 0.05 0.00 0.86 -0.58 -1.26 -5.01 120.64 110.99 2kvc n GLU 21 Ca -0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2kvc n GLU 21 Cb 0.32 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kvc n GLY 22 N 1.46 2.49 3.60 0.62 0.00 -0.65 -5.02 105.19 107.69 2kvc n GLY 22 Ca 0.07 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.70 5.30 0.36 -0.61 1.09 -1.26 -4.81 121.20 118.57 2kvc s ILE 23 Ca 0.00 0.21 -0.26 0.00 -1.10 0.00 0.00 60.65 59.49 2kvc s ILE 23 Cb 0.00 -3.54 -0.09 0.00 -1.06 0.00 0.00 42.46 37.77 2kvc s ILE 23 CO 0.00 0.25 1.14 -2.84 -0.10 0.00 0.00 174.94 173.39 2kvc s PRO 24 N 1.75 4.26 0.29 2.79 0.02 -1.26 -4.04 135.00 138.81 2kvc s PRO 24 Ca 0.08 1.80 0.03 0.00 0.02 0.00 0.00 61.00 62.93 2kvc s PRO 24 Cb -0.16 -2.82 0.66 0.00 0.02 0.00 0.00 34.50 32.20 2kvc s PRO 24 CO 0.11 -0.13 1.78 -1.35 -0.33 0.00 0.00 177.00 177.08 2kvc h PRO 25 N 2.99 0.76 0.50 5.54 0.11 -1.97 0.51 132.00 140.44 2kvc h PRO 25 Ca -0.48 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2kvc h PRO 25 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2kvc h PRO 25 CO 0.64 0.50 -0.32 1.79 -0.21 0.00 0.00 178.00 180.40 2kvc h THR 26 N 0.78 0.34 0.00 -1.15 1.35 -2.01 -2.59 112.91 109.62 2kvc h THR 26 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.40 2kvc h THR 26 Cb 0.76 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2kvc h THR 26 CO -0.36 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.35 2kvc h ASP 27 N -0.79 0.00 -0.57 5.36 5.19 -1.73 -3.10 116.42 120.78 2kvc h ASP 27 Ca -0.06 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.26 2kvc h ASP 27 Cb 0.65 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 2kvc h ASP 27 CO 0.05 0.00 -0.01 -1.28 -3.12 0.00 0.00 179.24 174.87 2kvc h SER 28 N 0.00 1.01 0.17 6.45 0.87 0.29 0.39 113.55 122.73 2kvc h SER 28 Ca 0.00 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 2kvc h SER 28 Cb 0.79 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2kvc h SER 28 CO 0.00 1.07 -0.35 -0.26 -0.53 0.00 0.00 176.83 176.76 2kvc h PHE 29 N 0.94 0.30 -0.46 2.24 -1.00 -1.39 -0.91 116.94 116.66 2kvc h PHE 29 Ca 0.17 -0.07 -0.12 0.00 2.81 0.00 0.00 57.97 60.75 2kvc h PHE 29 Cb 0.56 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 2kvc h PHE 29 CO 0.04 0.58 -0.21 0.00 -1.61 0.00 0.00 178.31 177.11 2kvc h ALA 30 N 1.42 0.77 -0.02 2.45 0.00 -1.39 -0.67 119.26 121.82 2kvc h ALA 30 Ca 0.03 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2kvc h ALA 30 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kvc h ALA 30 CO 0.05 0.66 -0.06 0.28 0.00 0.00 0.00 179.25 180.19 2kvc h VAL 31 N 0.80 0.84 -0.58 0.00 2.07 0.41 0.96 116.25 120.75 2kvc h VAL 31 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 2kvc h VAL 31 Cb 0.76 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2kvc h VAL 31 CO 0.06 0.00 0.15 0.17 0.02 0.00 0.00 177.57 177.97 2kvc h LEU 32 N -0.09 0.82 -0.41 2.57 8.10 -1.09 0.35 115.31 125.56 2kvc h LEU 32 Ca 0.03 -0.15 -0.02 0.00 0.11 0.00 0.00 57.88 57.85 2kvc h LEU 32 Cb 0.14 -0.22 -0.02 0.00 -0.44 0.00 0.00 40.66 40.12 2kvc h LEU 32 CO -0.08 0.80 0.17 0.00 -4.11 0.00 0.00 178.44 175.23 2kvc h ALA 33 N 1.31 0.53 -0.11 0.17 0.00 -0.78 0.41 119.26 120.78 2kvc h ALA 33 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2kvc h ALA 33 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kvc h ALA 33 CO -0.00 0.12 -0.12 1.25 0.00 0.00 0.00 179.25 180.50 2kvc h LEU 34 N 0.52 0.30 -1.29 0.00 7.12 -0.35 -3.18 115.31 118.43 2kvc h LEU 34 Ca 0.14 -0.49 -0.07 0.00 0.13 0.00 0.00 57.88 57.59 2kvc h LEU 34 Cb 0.17 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.20 2kvc h LEU 34 CO -0.01 0.73 -0.33 0.25 -0.13 0.00 0.00 178.44 178.94 2kvc h LEU 35 N -0.12 0.00 -1.53 2.25 5.85 -0.27 -1.02 115.31 120.47 2kvc h LEU 35 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kvc h LEU 35 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2kvc h LEU 35 CO 0.03 0.33 0.00 0.00 -0.34 0.00 0.00 178.44 178.46 2kvc n ARG 37 N -2.71 0.68 -0.03 0.00 1.74 -0.39 -4.04 116.66 111.91 2kvc n ARG 37 Ca 0.00 -0.25 -0.05 0.00 -0.77 0.00 0.00 57.85 56.78 2kvc n ARG 37 Cb 0.20 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 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 -0.94 0.12 -4.26 5.56 3.00 -0.14 -5.07 116.66 114.92 2kvc n ARG 38 Ca 0.14 0.04 -0.18 0.00 -0.00 0.00 0.00 57.85 57.85 2kvc n ARG 38 Cb 0.29 -0.89 -0.11 0.00 0.00 0.00 0.00 32.46 31.74 2kvc n ARG 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kvc s LEU 39 N -5.79 2.45 0.94 6.15 1.43 0.11 -5.13 118.68 118.84 2kvc s LEU 39 Ca -0.07 -0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 52.00 2kvc s LEU 39 Cb 0.02 -0.55 0.17 0.00 0.03 0.00 0.00 46.19 45.86 2kvc s LEU 39 CO 0.10 -0.18 1.23 -0.94 0.23 0.00 0.00 176.35 176.80 2kvc s SER 40 N -2.72 3.30 0.50 2.29 1.04 -1.26 -3.80 113.70 113.05 2kvc s SER 40 Ca 0.13 0.55 0.16 0.00 0.48 0.00 0.00 55.95 57.27 2kvc s SER 40 Cb -0.03 -0.81 1.22 0.00 0.10 0.00 0.00 66.02 66.49 2kvc s SER 40 CO 0.03 -2.64 2.11 1.12 0.98 0.00 0.00 173.24 174.84 2kvc h HIS 41 N -1.57 0.00 0.00 5.02 2.07 -1.90 -1.18 115.15 117.59 2kvc h HIS 41 Ca -0.46 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 56.84 2kvc h HIS 41 Cb 1.28 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.26 2kvc h HIS 41 CO -0.65 0.05 -0.94 -0.44 -3.07 0.00 0.00 177.93 172.87 2kvc h ASP 42 N 0.00 0.54 -0.05 3.10 3.32 -1.96 0.15 116.42 121.52 2kvc h ASP 42 Ca -0.00 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 2kvc h ASP 42 Cb 0.09 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2kvc h ASP 42 CO 0.01 1.23 0.01 -0.33 -1.72 0.00 0.00 179.24 178.44 2kvc h GLU 43 N 0.23 0.08 -0.19 3.56 3.07 -1.67 -0.68 114.58 118.98 2kvc h GLU 43 Ca -0.08 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2kvc h GLU 43 Cb 1.58 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.47 2kvc h GLU 43 CO 0.16 0.29 -0.23 -0.39 -1.40 0.00 0.00 179.01 177.45 2kvc h VAL 44 N -0.15 1.24 -0.02 3.13 -1.51 -1.29 -1.23 116.25 116.42 2kvc h VAL 44 Ca 0.01 -1.13 0.01 0.00 -1.23 0.00 0.00 66.70 64.36 2kvc h VAL 44 Cb 0.25 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 2kvc h VAL 44 CO 0.00 0.35 -0.03 0.50 -1.23 0.00 0.00 177.57 177.17 2kvc h LYS 45 N 0.31 -0.04 0.26 5.19 3.64 -0.82 -0.96 116.57 124.15 2kvc h LYS 45 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2kvc h LYS 45 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2kvc h LYS 45 CO 0.04 -0.02 -0.13 0.00 -2.27 0.00 0.00 179.45 177.07 2kvc h ALA 46 N 0.98 -0.35 -0.25 5.00 0.00 -0.70 -1.89 119.26 122.04 2kvc h ALA 46 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kvc h ALA 46 Cb 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kvc h ALA 46 CO -0.04 -0.67 0.16 0.28 0.00 0.00 0.00 179.25 178.98 2kvc h VAL 47 N -0.42 1.05 -0.38 0.00 2.07 -1.23 -1.18 116.25 116.17 2kvc h VAL 47 Ca -0.04 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2kvc h VAL 47 Cb 0.32 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2kvc h VAL 47 CO 0.06 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.91 2kvc h ALA 48 N 1.10 0.47 -0.06 1.67 0.00 -1.13 0.82 119.26 122.13 2kvc h ALA 48 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kvc h ALA 48 Cb -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kvc h ALA 48 CO -0.03 -0.15 0.02 -0.97 0.00 0.00 0.00 179.25 178.13 2kvc h ASN 49 N 0.42 0.09 -0.20 0.00 -0.73 -1.08 -0.84 115.58 113.24 2kvc h ASN 49 Ca 0.16 -0.17 -0.14 0.00 1.87 0.00 0.00 56.30 58.01 2kvc h ASN 49 Cb 0.04 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 2kvc h ASN 49 CO -0.09 0.23 -0.39 1.05 -0.37 0.00 0.00 177.43 177.86 2kvc h GLU 50 N -0.06 0.74 -0.65 6.67 4.11 -1.07 -1.28 114.58 123.04 2kvc h GLU 50 Ca 0.02 -0.38 -0.05 0.00 0.07 0.00 0.00 59.36 59.02 2kvc h GLU 50 Cb 0.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2kvc h GLU 50 CO -0.00 1.00 0.20 1.25 0.07 0.00 0.00 179.01 181.52 2kvc h LEU 51 N 0.61 0.95 -0.31 3.06 7.12 -0.75 0.20 115.31 126.19 2kvc h LEU 51 Ca 0.05 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.85 2kvc h LEU 51 Cb 0.93 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.80 2kvc h LEU 51 CO 0.09 0.91 0.18 0.24 -0.13 0.00 0.00 178.44 179.73 2kvc h MET 52 N 0.94 0.42 -0.23 1.25 2.86 -0.93 -1.30 114.93 117.95 2kvc h MET 52 Ca 0.21 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.61 2kvc h MET 52 Cb 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2kvc h MET 52 CO -0.01 0.34 -0.61 -0.09 1.06 0.00 0.00 176.91 177.60 2kvc h ARG 53 N 0.38 0.81 0.00 1.72 9.65 -0.86 -3.25 114.38 122.85 2kvc h ARG 53 Ca 0.11 -0.57 -0.19 0.00 -1.10 0.00 0.00 59.98 58.23 2kvc h ARG 53 Cb 0.03 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 2kvc h ARG 53 CO -0.02 1.20 -0.87 -0.07 2.80 0.00 0.00 179.97 183.01 2kvc h LEU 54 N 0.57 0.18 0.00 3.80 3.38 -0.62 -3.46 115.31 119.15 2kvc h LEU 54 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kvc h LEU 54 Cb 1.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kvc h LEU 54 CO 0.13 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.23 2kvc n GLY 55 N 0.88 4.85 3.05 0.83 0.00 -0.49 -5.08 105.19 109.22 2kvc n GLY 55 Ca -0.03 -1.63 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 2kvc n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kvc s ASP 56 N 0.79 1.60 0.21 1.61 1.01 -1.26 -4.84 116.67 115.78 2kvc s ASP 56 Ca 0.00 -0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.04 2kvc s ASP 56 Cb 0.00 -0.48 -0.01 0.00 1.01 0.00 0.00 42.92 43.44 2kvc s ASP 56 CO 0.00 0.09 0.14 0.33 0.21 0.00 0.00 175.17 175.94 2kvc n PHE 57 N 3.32 -0.31 -3.50 4.23 -0.00 -1.26 -4.70 117.46 115.24 2kvc n PHE 57 Ca -0.19 -1.64 -0.37 0.00 -0.00 0.00 0.00 57.45 55.25 2kvc n PHE 57 Cb 0.53 0.12 -0.06 0.00 -0.00 0.00 0.00 39.48 40.08 2kvc n PHE 57 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2kvc s ASP 58 N -2.42 6.78 -1.19 -2.13 -1.08 -1.26 -4.98 116.67 110.39 2kvc s ASP 58 Ca 0.20 0.94 -0.21 0.00 -0.52 0.00 0.00 52.55 52.97 2kvc s ASP 58 Cb 0.01 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.23 2kvc s ASP 58 CO 0.14 0.27 1.79 -1.10 0.52 0.00 0.00 175.17 176.79 2kvc s GLN 59 N -1.36 3.30 -0.02 4.34 1.11 -1.26 -4.88 119.66 120.89 2kvc s GLN 59 Ca 0.27 -1.46 0.02 0.00 0.01 0.00 0.00 55.36 54.20 2kvc s GLN 59 Cb -0.16 -5.38 0.00 0.00 -1.01 0.00 0.00 33.01 26.47 2kvc s GLN 59 CO 0.15 -2.95 -0.08 0.96 0.01 0.00 0.00 175.29 173.39 2kvc s ILE 60 N 7.16 0.66 -1.08 1.08 -4.36 -1.26 -5.08 121.20 118.32 2kvc s ILE 60 Ca 0.59 -0.30 -0.22 0.00 -0.26 0.00 0.00 60.65 60.47 2kvc s ILE 60 Cb 0.01 -0.59 0.06 0.00 1.25 0.00 0.00 42.46 43.19 2kvc s ILE 60 CO 0.07 0.21 1.49 1.51 0.24 0.00 0.00 174.94 178.46 2kvc s ASP 61 N 0.16 6.59 0.35 4.36 -4.77 -1.26 -4.77 116.67 117.33 2kvc s ASP 61 Ca -0.02 -1.72 0.11 0.00 -3.30 0.00 0.00 52.55 47.62 2kvc s ASP 61 Cb -0.07 -2.56 0.63 0.00 -1.09 0.00 0.00 42.92 39.83 2kvc s ASP 61 CO 0.00 -1.40 1.78 0.40 0.70 0.00 0.00 175.17 176.65 2kvc h ILE 62 N 6.45 1.29 -0.23 2.11 2.04 -1.98 -2.92 117.51 124.28 2kvc h ILE 62 Ca 0.25 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.74 2kvc h ILE 62 Cb 0.98 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 2kvc h ILE 62 CO 1.41 0.41 0.16 1.23 0.00 0.00 0.00 178.15 181.35 2kvc h GLY 63 N 1.21 0.16 1.12 5.37 0.00 -1.93 -0.47 103.07 108.53 2kvc h GLY 63 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 2kvc h GLY 63 CO 0.05 0.05 -1.07 -2.08 0.00 0.00 0.00 176.54 173.49 2kvc h VAL 64 N 0.14 1.32 -0.52 4.60 2.07 -1.91 -3.10 116.25 118.84 2kvc h VAL 64 Ca 0.10 -2.35 -0.10 0.00 0.82 0.00 0.00 66.70 65.17 2kvc h VAL 64 Cb 0.22 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2kvc h VAL 64 CO -0.01 0.71 -0.08 0.58 0.02 0.00 0.00 177.57 178.79 2kvc h VAL 65 N 0.20 1.27 0.00 2.57 2.07 -1.33 -1.47 116.25 119.56 2kvc h VAL 65 Ca -0.15 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 2kvc h VAL 65 Cb 1.75 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 2kvc h VAL 65 CO 0.21 0.43 -0.21 0.16 0.02 0.00 0.00 177.57 178.18 2kvc h ILE 66 N 0.85 0.46 0.00 4.57 3.07 -1.23 -2.74 117.51 122.49 2kvc h ILE 66 Ca 0.14 -1.17 0.00 0.00 1.55 0.00 0.00 64.86 65.37 2kvc h ILE 66 Cb 0.64 1.85 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2kvc h ILE 66 CO 0.04 0.20 -0.94 0.35 -1.05 0.00 0.00 178.15 176.76 2kvc n THR 67 N -3.29 0.06 -3.22 0.16 -2.24 -1.12 -4.72 114.28 99.91 2kvc n THR 67 Ca 0.01 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 2kvc n THR 67 Cb 0.47 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 -3.10 -1.47 0.31 4.78 5.65 -0.57 -5.09 115.29 115.81 2kvc s HIS 68 Ca 0.06 0.51 -0.29 0.00 0.25 0.00 0.00 55.06 55.60 2kvc s HIS 68 Cb 0.16 0.13 -0.10 0.00 -1.18 0.00 0.00 32.58 31.59 2kvc s HIS 68 CO 0.81 -1.07 1.27 -0.06 -0.65 0.00 0.00 174.74 175.03 2kvc s PHE 69 N 2.39 3.16 0.88 3.88 0.40 -1.06 -4.39 117.98 123.24 2kvc s PHE 69 Ca 0.12 1.46 -0.10 0.00 -0.60 0.00 0.00 56.93 57.81 2kvc s PHE 69 Cb -0.10 -3.60 0.18 0.00 0.51 0.00 0.00 43.02 40.01 2kvc s PHE 69 CO -0.20 -1.61 1.20 0.99 0.70 0.00 0.00 175.22 176.30 2kvc s THR 70 N -1.06 2.03 -0.05 0.64 2.01 -1.20 -5.03 115.64 112.98 2kvc s THR 70 Ca 0.49 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 2kvc s THR 70 Cb -0.38 -2.78 -0.17 0.00 0.01 0.00 0.00 72.50 69.17 2kvc s THR 70 CO 0.50 0.00 0.94 0.44 -0.69 0.00 0.00 174.62 175.80 2kvc h ASP 71 N -1.24 -0.13 0.74 3.53 5.19 -2.00 -3.35 116.42 119.16 2kvc h ASP 71 Ca -0.41 -0.43 -0.25 0.00 -0.62 0.00 0.00 57.03 55.32 2kvc h ASP 71 Cb 1.24 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.75 2kvc h ASP 71 CO 0.37 0.44 -1.35 -0.33 -3.12 0.00 0.00 179.24 175.25 2kvc h GLU 72 N -0.80 0.01 -5.78 3.56 3.07 -2.04 -3.46 114.58 109.14 2kvc h GLU 72 Ca -0.02 -0.02 -0.60 0.00 -0.50 0.00 0.00 59.36 58.23 2kvc h GLU 72 Cb 0.56 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.40 2kvc h GLU 72 CO 0.03 0.77 -0.23 -0.51 -1.40 0.00 0.00 179.01 177.66 2kvc s LEU 73 N -6.44 4.36 0.37 1.33 2.01 -1.26 -3.47 118.68 115.58 2kvc s LEU 73 Ca -0.02 0.77 0.01 0.00 0.01 0.00 0.00 54.13 54.90 2kvc s LEU 73 Cb 0.09 -2.53 -0.02 0.00 0.01 0.00 0.00 46.19 43.74 2kvc s LEU 73 CO 0.82 0.18 0.57 -2.16 1.01 0.00 0.00 176.35 176.78 2kvc s PRO 74 N -0.21 3.34 0.01 1.29 0.04 -1.26 -3.22 135.00 134.99 2kvc s PRO 74 Ca 0.22 -0.45 -0.20 0.00 0.04 0.00 0.00 61.00 60.61 2kvc s PRO 74 Cb -0.15 -2.65 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 2kvc s PRO 74 CO 0.09 0.03 0.58 -1.12 0.04 0.00 0.00 177.00 176.62 2kvc s SER 75 N -4.10 6.98 0.53 6.66 0.01 -1.23 -4.96 113.70 117.60 2kvc s SER 75 Ca 0.42 1.17 0.23 0.00 1.31 0.00 0.00 55.95 59.08 2kvc s SER 75 Cb -0.10 -2.36 1.37 0.00 0.21 0.00 0.00 66.02 65.15 2kvc s SER 75 CO 0.36 0.15 2.05 1.55 0.41 0.00 0.00 173.24 177.76 2kvc h PRO 76 N 5.36 0.00 -0.25 12.44 0.13 -1.96 -0.70 132.00 147.02 2kvc h PRO 76 Ca -0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 2kvc h PRO 76 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kvc h PRO 76 CO 0.68 0.00 -0.38 1.05 -0.23 0.00 0.00 178.00 179.12 2kvc h GLU 77 N 0.00 0.58 -0.28 0.86 4.11 -1.99 -0.32 114.58 117.53 2kvc h GLU 77 Ca 0.16 -0.28 -0.18 0.00 0.07 0.00 0.00 59.36 59.13 2kvc h GLU 77 Cb 0.67 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2kvc h GLU 77 CO -0.00 0.86 -0.54 -0.44 0.07 0.00 0.00 179.01 178.96 2kvc h ASP 78 N 0.48 0.92 -0.88 3.06 5.19 -1.55 -2.54 116.42 121.10 2kvc h ASP 78 Ca 0.05 -0.49 0.07 0.00 -0.62 0.00 0.00 57.03 56.04 2kvc h ASP 78 Cb 0.87 -0.26 -0.07 0.00 0.18 0.00 0.00 39.33 40.06 2kvc h ASP 78 CO 0.08 1.27 0.54 0.58 -3.12 0.00 0.00 179.24 178.59 2kvc h VAL 79 N 0.64 1.02 -0.71 -1.35 2.07 -0.87 -0.94 116.25 116.09 2kvc h VAL 79 Ca 0.02 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2kvc h VAL 79 Cb 1.14 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2kvc h VAL 79 CO 0.12 0.18 0.33 -0.08 0.02 0.00 0.00 177.57 178.14 2kvc h GLU 80 N 0.97 1.04 0.43 1.57 4.81 -0.94 -0.32 114.58 122.14 2kvc h GLU 80 Ca 0.39 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 2kvc h GLU 80 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2kvc h GLU 80 CO -0.19 0.82 -0.34 0.00 -0.73 0.00 0.00 179.01 178.57 2kvc h ARG 81 N 1.00 -0.74 -0.35 1.92 3.08 -0.83 -1.08 114.38 117.38 2kvc h ARG 81 Ca 0.24 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 2kvc h ARG 81 Cb 0.14 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2kvc h ARG 81 CO -0.03 -0.49 0.03 -0.24 -1.07 0.00 0.00 179.97 178.17 2kvc h VAL 82 N -0.77 1.19 -0.06 2.04 3.04 -1.13 -0.96 116.25 119.60 2kvc h VAL 82 Ca -0.04 -0.73 -0.00 0.00 -1.01 0.00 0.00 66.70 64.92 2kvc h VAL 82 Cb 0.66 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 2kvc h VAL 82 CO -0.01 0.25 0.04 -0.09 -1.01 0.00 0.00 177.57 176.75 2kvc h ARG 83 N 0.51 0.08 -0.53 4.17 2.43 -0.74 0.16 114.38 120.46 2kvc h ARG 83 Ca 0.11 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2kvc h ARG 83 Cb 0.29 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2kvc h ARG 83 CO 0.01 0.10 -0.02 0.00 -1.51 0.00 0.00 179.97 178.55 2kvc h ALA 84 N 0.97 0.72 0.02 2.80 0.00 -0.89 -1.64 119.26 121.24 2kvc h ALA 84 Ca 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kvc h ALA 84 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kvc h ALA 84 CO -0.00 0.56 -0.01 -0.09 0.00 0.00 0.00 179.25 179.70 2kvc h ARG 85 N 0.83 -0.03 0.00 0.00 9.65 -0.97 -3.15 114.38 120.72 2kvc h ARG 85 Ca 0.15 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 2kvc h ARG 85 Cb 0.56 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2kvc h ARG 85 CO 0.03 0.09 -0.21 -0.07 2.80 0.00 0.00 179.97 182.62 2kvc h LEU 86 N -0.15 0.00 -1.95 3.80 -0.00 -0.66 -3.08 115.31 113.28 2kvc h LEU 86 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2kvc h LEU 86 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 2kvc h LEU 86 CO 0.01 0.21 -0.11 0.00 -0.00 0.00 0.00 178.44 178.54 2kvc h ALA 87 N 1.79 1.41 0.00 1.53 0.00 -1.25 -2.10 119.26 120.65 2kvc h ALA 87 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kvc h ALA 87 Cb 0.95 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2kvc h ALA 87 CO 0.03 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2kvc h ALA 88 N 1.89 1.00 -0.64 0.00 0.00 -1.61 -2.43 119.26 117.47 2kvc h ALA 88 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kvc h ALA 88 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kvc h ALA 88 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.30 2kvc n GLN 89 N -2.73 2.62 0.00 0.00 3.00 -0.79 -4.94 117.38 114.53 2kvc n GLN 89 Ca 0.01 -2.35 0.00 0.00 -0.01 0.00 0.00 57.00 54.65 2kvc n GLN 89 Cb 0.26 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 28.95 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 1.46 3.39 2.21 1.08 0.00 -0.91 -4.89 105.19 107.52 2kvc n GLY 90 Ca 0.22 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 2kvc n GLY 90 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2kvc n TRP 91 N 0.00 -2.17 -0.29 1.61 -0.00 -1.26 -4.90 117.44 110.44 2kvc n TRP 91 Ca 0.00 0.93 -0.08 0.00 -0.00 0.00 0.00 57.50 58.36 2kvc n TRP 91 Cb 0.00 -2.94 0.03 0.00 -0.00 0.00 0.00 31.31 28.40 2kvc n TRP 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2kvc n PRO 92 N 0.14 1.38 0.00 5.87 -0.04 -1.26 -4.19 135.00 136.90 2kvc n PRO 92 Ca 0.02 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2kvc n PRO 92 Cb 0.08 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.60 0.00 -3.68 1.53 4.32 -1.26 -5.10 117.00 113.40 2kvc n LEU 93 Ca 0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.01 2kvc n LEU 93 Cb 0.63 -0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 42.13 2kvc n LEU 93 CO 0.18 -0.49 0.25 -0.62 -1.22 0.00 0.00 177.39 175.49 2kvc s ASP 94 N -4.45 -0.58 0.62 -1.43 2.15 -1.26 -5.15 116.67 106.57 2kvc s ASP 94 Ca 0.00 1.09 -0.19 0.00 0.43 0.00 0.00 52.55 53.88 2kvc s ASP 94 Cb 0.00 1.11 -0.02 0.00 -0.30 0.00 0.00 42.92 43.71 2kvc s ASP 94 CO 0.00 -0.21 1.29 -0.62 -0.17 0.00 0.00 175.17 175.46 2kvc s ASP 95 N 0.22 4.80 -0.80 -0.34 2.15 -1.26 -4.88 116.67 116.56 2kvc s ASP 95 Ca -0.01 2.60 -0.23 0.00 0.43 0.00 0.00 52.55 55.35 2kvc s ASP 95 Cb -0.04 -2.62 0.07 0.00 -0.30 0.00 0.00 42.92 40.03 2kvc s ASP 95 CO 0.01 -1.87 1.16 0.54 -0.17 0.00 0.00 175.17 174.83 2kvc s VAL 96 N -1.42 4.19 -0.44 1.11 0.11 -1.26 -4.91 120.40 117.79 2kvc s VAL 96 Ca 0.80 -0.49 0.04 0.00 -2.93 0.00 0.00 61.98 59.40 2kvc s VAL 96 Cb -0.37 -4.83 0.12 0.00 -1.53 0.00 0.00 36.38 29.78 2kvc s VAL 96 CO 0.39 -1.65 0.17 -0.13 -3.33 0.00 0.00 175.10 170.56 2kvc s ARG 97 N 4.35 1.69 -0.12 1.54 1.81 -1.26 -5.10 118.95 121.86 2kvc s ARG 97 Ca 0.31 -2.24 -0.18 0.00 -1.72 0.00 0.00 55.73 51.90 2kvc s ARG 97 Cb -0.09 -3.16 -0.04 0.00 -0.45 0.00 0.00 34.95 31.20 2kvc s ARG 97 CO 0.04 -1.04 0.48 0.34 -0.68 0.00 0.00 175.30 174.43 2kvc s ASP 98 N 0.28 6.69 0.00 0.23 2.15 -1.26 -4.87 116.67 119.89 2kvc s ASP 98 Ca 0.14 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.95 2kvc s ASP 98 Cb -0.23 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2kvc s ASP 98 CO -0.04 0.00 0.00 -2.11 -0.17 0.00 0.00 175.17 172.85 2kvc n ARG 99 N 3.65 0.00 -3.82 4.34 0.00 -1.26 -5.13 116.66 114.44 2kvc n ARG 99 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.75 2kvc n ARG 99 Cb 0.52 -0.77 0.00 0.00 -0.00 0.00 0.00 32.46 32.21 2kvc n ARG 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2kvc s GLU 100 N -1.60 1.22 0.02 2.89 4.04 -1.26 -5.19 118.70 118.82 2kvc s GLU 100 Ca 0.00 -0.74 -0.01 0.00 0.04 0.00 0.00 54.97 54.26 2kvc s GLU 100 Cb 0.00 0.37 -0.02 0.00 0.02 0.00 0.00 34.13 34.50 2kvc s GLU 100 CO 0.00 -0.57 -0.01 -1.21 -1.84 0.00 0.00 175.26 171.63 2kvc s GLU 101 N -2.60 0.29 -0.74 -4.83 0.41 -1.26 -5.10 118.70 104.87 2kvc s GLU 101 Ca 0.18 -0.52 -0.24 0.00 -0.41 0.00 0.00 54.97 53.98 2kvc s GLU 101 Cb -0.02 0.10 0.06 0.00 -1.78 0.00 0.00 34.13 32.49 2kvc s GLU 101 CO 0.04 -0.05 1.14 -1.01 -0.49 0.00 0.00 175.26 174.89 2kvc s HIS 102 N -1.28 2.53 0.00 1.61 3.76 -1.26 -5.24 115.29 115.42 2kvc s HIS 102 Ca -0.14 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 2kvc s HIS 102 Cb -0.09 -4.46 0.00 0.00 1.11 0.00 0.00 32.58 29.14 2kvc s HIS 102 CO -0.01 -1.84 0.00 0.00 -0.85 0.00 0.00 174.74 172.05