#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvc n SER 2 N 0.00 0.00 -4.81 1.61 2.88 -1.26 -5.11 113.62 106.92 2kvc n SER 2 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2kvc n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2kvc n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2kvc s HIS 3 N -0.46 3.37 0.11 0.66 3.76 -1.26 -5.02 115.29 116.45 2kvc s HIS 3 Ca 0.00 0.27 -0.16 0.00 -0.15 0.00 0.00 55.06 55.01 2kvc s HIS 3 Cb 0.00 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 2kvc s HIS 3 CO 0.00 0.59 1.60 0.52 -0.85 0.00 0.00 174.74 176.59 2kvc h MET 4 N 4.16 0.57 -0.51 1.40 2.86 -2.01 -2.83 114.93 118.57 2kvc h MET 4 Ca -0.50 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 56.93 2kvc h MET 4 Cb 1.19 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 2kvc h MET 4 CO 0.63 0.64 0.06 -0.91 1.06 0.00 0.00 176.91 178.39 2kvc h ASN 5 N 0.41 0.83 0.02 1.22 4.21 -2.01 -2.58 115.58 117.68 2kvc h ASN 5 Ca 0.11 -0.27 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 2kvc h ASN 5 Cb 0.34 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 37.32 2kvc h ASN 5 CO 0.01 0.90 -0.01 -0.09 -1.29 0.00 0.00 177.43 176.94 2kvc h ARG 6 N 0.74 0.00 0.24 0.81 2.43 -1.96 -1.49 114.38 115.15 2kvc h ARG 6 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2kvc h ARG 6 Cb 0.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 2kvc h ARG 6 CO 0.01 0.01 -0.22 0.35 -1.51 0.00 0.00 179.97 178.61 2kvc h PHE 7 N 0.00 -0.58 -0.71 2.20 3.57 -1.21 0.53 116.94 120.74 2kvc h PHE 7 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2kvc h PHE 7 Cb 0.02 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2kvc h PHE 7 CO 0.00 -0.33 0.17 -0.07 -2.23 0.00 0.00 178.31 175.85 2kvc h LEU 8 N -0.49 1.08 -0.99 0.59 4.07 -1.46 -0.74 115.31 117.38 2kvc h LEU 8 Ca -0.01 -0.24 0.03 0.00 0.08 0.00 0.00 57.88 57.75 2kvc h LEU 8 Cb 0.44 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.84 2kvc h LEU 8 CO -0.04 1.03 0.65 0.74 -1.08 0.00 0.00 178.44 179.74 2kvc h THR 9 N 1.07 1.18 -0.37 0.22 2.02 -0.96 0.15 112.91 116.23 2kvc h THR 9 Ca 0.22 -0.43 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 2kvc h THR 9 Cb 0.38 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2kvc h THR 9 CO 0.00 0.23 -0.28 0.28 0.37 0.00 0.00 175.52 176.12 2kvc h SER 10 N 1.26 0.80 -0.17 4.18 0.02 0.58 0.12 113.55 120.34 2kvc h SER 10 Ca 0.39 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2kvc h SER 10 Cb -0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2kvc h SER 10 CO -0.12 1.03 0.10 0.40 -1.14 0.00 0.00 176.83 177.10 2kvc h ILE 11 N 0.66 1.08 -0.55 3.27 1.08 -0.29 0.34 117.51 123.09 2kvc h ILE 11 Ca 0.08 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 2kvc h ILE 11 Cb 0.81 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 2kvc h ILE 11 CO 0.07 0.07 0.34 0.58 -0.69 0.00 0.00 178.15 178.52 2kvc h VAL 12 N 0.20 1.06 -0.57 1.67 2.07 -0.50 0.16 116.25 120.34 2kvc h VAL 12 Ca 0.06 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2kvc h VAL 12 Cb 0.03 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2kvc h VAL 12 CO -0.01 0.12 0.28 0.00 0.02 0.00 0.00 177.57 177.98 2kvc h ALA 13 N 1.24 0.73 -0.19 1.67 0.00 -0.51 -0.40 119.26 121.81 2kvc h ALA 13 Ca 0.22 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2kvc h ALA 13 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2kvc h ALA 13 CO -0.10 0.28 0.03 2.35 0.00 0.00 0.00 179.25 181.82 2kvc h TRP 14 N 0.77 0.05 -0.24 0.00 7.01 0.22 0.28 115.95 124.04 2kvc h TRP 14 Ca 0.20 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 2kvc h TRP 14 Cb 0.10 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.16 2kvc h TRP 14 CO -0.00 0.01 0.14 -0.07 -2.79 0.00 0.00 178.44 175.73 2kvc h LEU 15 N 0.10 0.28 -0.83 0.65 3.38 -0.41 -0.76 115.31 117.73 2kvc h LEU 15 Ca 0.09 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2kvc h LEU 15 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2kvc h LEU 15 CO -0.12 0.25 -0.53 0.08 0.09 0.00 0.00 178.44 178.20 2kvc h ARG 16 N 0.30 0.14 -0.72 1.13 0.11 -0.92 -1.83 114.38 112.59 2kvc h ARG 16 Ca 0.08 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2kvc h ARG 16 Cb 0.01 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.07 2kvc h ARG 16 CO -0.02 0.64 0.23 0.00 0.10 0.00 0.00 179.97 180.92 2kvc h ALA 17 N 1.34 1.04 0.00 0.08 0.00 -0.09 -1.53 119.26 120.10 2kvc h ALA 17 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kvc h ALA 17 Cb 0.98 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kvc h ALA 17 CO 0.08 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2kvc n GLY 18 N -0.80 -1.47 2.47 0.00 0.00 -0.32 -4.36 105.19 100.71 2kvc n GLY 18 Ca 0.06 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 2kvc n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kvc n TYR 19 N -2.22 -1.61 0.29 1.61 4.01 -0.62 -4.84 117.16 113.78 2kvc n TYR 19 Ca 0.04 -2.85 0.18 0.00 -0.16 0.00 0.00 57.90 55.10 2kvc n TYR 19 Cb 0.32 0.53 0.74 0.00 -0.31 0.00 0.00 39.34 40.62 2kvc n TYR 19 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2kvc h PRO 20 N 5.38 0.00 -0.02 -0.72 0.13 -1.65 -1.90 132.00 133.22 2kvc h PRO 20 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2kvc h PRO 20 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2kvc h PRO 20 CO 0.29 0.00 -0.11 0.39 -0.23 0.00 0.00 178.00 178.34 2kvc n GLU 21 N -3.07 1.86 0.00 0.86 1.02 -1.26 -4.96 120.64 115.09 2kvc n GLU 21 Ca 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 2kvc n GLU 21 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 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 1.33 1.18 3.65 0.62 0.00 -0.71 -4.68 105.19 106.57 2kvc n GLY 22 Ca 0.14 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.89 4.97 1.02 -0.61 1.09 -1.26 -4.82 121.20 118.69 2kvc s ILE 23 Ca 0.00 1.31 -0.12 0.00 -1.10 0.00 0.00 60.65 60.73 2kvc s ILE 23 Cb 0.00 -4.00 0.16 0.00 -1.06 0.00 0.00 42.46 37.56 2kvc s ILE 23 CO 0.00 0.06 0.81 -2.65 -0.10 0.00 0.00 174.94 173.06 2kvc n PRO 24 N 5.30 -1.09 -0.04 2.79 -0.02 -1.26 -1.97 135.00 138.71 2kvc n PRO 24 Ca 0.01 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2kvc n PRO 24 Cb 0.49 -2.13 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 2kvc n PRO 24 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kvc n PRO 25 N -3.61 1.15 -0.04 0.52 -0.04 -1.26 -3.06 135.00 128.66 2kvc n PRO 25 Ca 0.07 -0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2kvc n PRO 25 Cb 0.54 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2kvc n PRO 25 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kvc n THR 26 N -0.12 0.56 1.28 0.52 -1.04 -1.26 -4.69 114.28 109.53 2kvc n THR 26 Ca 0.01 -0.06 0.14 0.00 -2.04 0.00 0.00 64.05 62.10 2kvc n THR 26 Cb 0.20 -1.64 0.64 0.00 -1.82 0.00 0.00 70.33 67.72 2kvc n THR 26 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2kvc n ASP 27 N -3.42 0.18 -0.07 8.00 5.75 -1.24 -3.02 116.55 122.73 2kvc n ASP 27 Ca -0.15 -0.12 0.01 0.00 -0.01 0.00 0.00 54.79 54.52 2kvc n ASP 27 Cb 0.56 -0.23 0.32 0.00 -1.03 0.00 0.00 41.12 40.75 2kvc n ASP 27 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2kvc h SER 28 N 0.16 0.61 -0.33 -1.12 4.64 -1.82 0.26 113.55 115.96 2kvc h SER 28 Ca 0.00 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 2kvc h SER 28 Cb 0.38 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2kvc h SER 28 CO 0.00 0.51 -0.04 -0.26 -0.87 0.00 0.00 176.83 176.17 2kvc h PHE 29 N 0.68 0.76 -0.26 4.77 -1.00 -1.85 -0.86 116.94 119.18 2kvc h PHE 29 Ca 0.17 -0.11 -0.09 0.00 2.81 0.00 0.00 57.97 60.75 2kvc h PHE 29 Cb 0.06 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 2kvc h PHE 29 CO 0.00 0.74 -0.20 0.00 -1.61 0.00 0.00 178.31 177.25 2kvc h ALA 30 N 1.29 0.37 -0.69 2.45 0.00 -1.24 -0.38 119.26 121.07 2kvc h ALA 30 Ca 0.13 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2kvc h ALA 30 Cb 0.47 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2kvc h ALA 30 CO 0.02 0.30 0.38 0.28 0.00 0.00 0.00 179.25 180.24 2kvc h VAL 31 N 0.30 0.95 -0.34 0.00 2.07 -0.44 -0.32 116.25 118.47 2kvc h VAL 31 Ca 0.05 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.39 2kvc h VAL 31 Cb 0.74 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2kvc h VAL 31 CO 0.05 0.13 -0.02 0.25 0.02 0.00 0.00 177.57 178.00 2kvc h LEU 32 N 0.70 -0.17 -1.20 2.57 5.85 -0.84 0.15 115.31 122.37 2kvc h LEU 32 Ca 0.31 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 2kvc h LEU 32 Cb 0.22 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2kvc h LEU 32 CO -0.20 -0.05 0.05 0.00 -0.34 0.00 0.00 178.44 177.91 2kvc h ALA 33 N 1.31 1.35 0.15 1.25 0.00 -0.19 -0.25 119.26 122.88 2kvc h ALA 33 Ca 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kvc h ALA 33 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kvc h ALA 33 CO -0.29 0.45 -0.07 1.25 0.00 0.00 0.00 179.25 180.59 2kvc h LEU 34 N 0.58 -0.17 -1.50 0.00 7.12 -0.54 -3.32 115.31 117.49 2kvc h LEU 34 Ca 0.13 -0.37 -0.03 0.00 0.13 0.00 0.00 57.88 57.74 2kvc h LEU 34 Cb 0.29 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 2kvc h LEU 34 CO 0.00 0.34 -0.16 -0.07 -0.13 0.00 0.00 178.44 178.43 2kvc h LEU 35 N -0.76 0.00 -1.24 2.25 -0.00 -0.55 -1.43 115.31 113.57 2kvc h LEU 35 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2kvc h LEU 35 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2kvc h LEU 35 CO 0.03 0.16 0.00 0.00 -0.00 0.00 0.00 178.44 178.63 2kvc n ARG 37 N -2.27 1.89 -0.03 0.00 1.74 -0.54 -4.34 116.66 113.12 2kvc n ARG 37 Ca -0.00 -1.41 -0.06 0.00 -0.77 0.00 0.00 57.85 55.60 2kvc n ARG 37 Cb 0.09 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 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 0.68 0.13 -4.55 5.56 3.00 -0.16 -5.11 116.66 116.21 2kvc n ARG 38 Ca 0.15 0.05 -0.27 0.00 -0.00 0.00 0.00 57.85 57.79 2kvc n ARG 38 Cb 0.49 -0.76 -0.08 0.00 0.00 0.00 0.00 32.46 32.11 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 -6.21 2.02 0.63 6.15 1.43 0.55 -5.14 118.68 118.12 2kvc s LEU 39 Ca -0.08 -1.70 0.00 0.00 -1.03 0.00 0.00 54.13 51.32 2kvc s LEU 39 Cb 0.03 -0.16 0.08 0.00 0.03 0.00 0.00 46.19 46.17 2kvc s LEU 39 CO 0.11 -0.95 0.88 -0.44 0.23 0.00 0.00 176.35 176.18 2kvc s SER 40 N -3.65 4.83 0.48 2.29 0.01 -1.26 -4.21 113.70 112.19 2kvc s SER 40 Ca 0.21 -0.20 0.16 0.00 1.31 0.00 0.00 55.95 57.43 2kvc s SER 40 Cb 0.02 -0.43 1.17 0.00 0.21 0.00 0.00 66.02 66.99 2kvc s SER 40 CO 0.13 -1.49 2.05 1.12 0.41 0.00 0.00 173.24 175.45 2kvc h HIS 41 N -0.22 0.21 -0.08 2.43 2.07 -1.95 -1.30 115.15 116.30 2kvc h HIS 41 Ca -0.39 0.01 -0.19 0.00 -2.85 0.00 0.00 60.37 56.94 2kvc h HIS 41 Cb 1.28 -0.07 0.01 0.00 2.57 0.00 0.00 27.41 31.21 2kvc h HIS 41 CO 0.12 0.11 -0.70 -0.44 -3.07 0.00 0.00 177.93 173.94 2kvc h ASP 42 N 0.20 0.76 -0.21 3.10 3.32 -1.98 0.04 116.42 121.66 2kvc h ASP 42 Ca 0.17 -0.67 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2kvc h ASP 42 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2kvc h ASP 42 CO -0.03 1.32 0.09 -0.33 -1.72 0.00 0.00 179.24 178.58 2kvc h GLU 43 N 0.27 0.30 -0.19 3.56 3.07 -1.78 0.61 114.58 120.42 2kvc h GLU 43 Ca -0.06 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 2kvc h GLU 43 Cb 1.36 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 2kvc h GLU 43 CO 0.14 0.35 -0.25 -0.39 -1.40 0.00 0.00 179.01 177.46 2kvc h VAL 44 N 0.19 1.25 -0.18 3.13 -1.51 -1.29 -0.67 116.25 117.17 2kvc h VAL 44 Ca 0.07 -1.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.36 2kvc h VAL 44 Cb 0.15 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2kvc h VAL 44 CO -0.01 0.37 0.11 0.50 -1.23 0.00 0.00 177.57 177.31 2kvc h LYS 45 N 0.32 0.24 0.28 5.19 3.64 -0.67 -1.12 116.57 124.44 2kvc h LYS 45 Ca 0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2kvc h LYS 45 Cb 0.61 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2kvc h LYS 45 CO 0.04 0.19 -0.13 0.00 -2.27 0.00 0.00 179.45 177.28 2kvc h ALA 46 N 1.04 -0.37 -0.14 5.00 0.00 -0.42 -1.51 119.26 122.85 2kvc h ALA 46 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2kvc h ALA 46 Cb 0.01 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2kvc h ALA 46 CO -0.01 -0.69 -0.10 0.28 0.00 0.00 0.00 179.25 178.73 2kvc h VAL 47 N -0.42 0.71 -0.85 0.00 2.07 -1.11 -0.49 116.25 116.15 2kvc h VAL 47 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2kvc h VAL 47 Cb 0.32 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2kvc h VAL 47 CO 0.06 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.21 2kvc h ALA 48 N 1.01 1.09 -0.08 1.67 0.00 -1.15 0.36 119.26 122.16 2kvc h ALA 48 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kvc h ALA 48 Cb 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kvc h ALA 48 CO -0.21 0.44 0.01 -0.97 0.00 0.00 0.00 179.25 178.53 2kvc h ASN 49 N 1.12 0.13 0.72 0.00 -0.73 -0.72 -0.92 115.58 115.18 2kvc h ASN 49 Ca 0.32 -0.27 -0.15 0.00 1.87 0.00 0.00 56.30 58.07 2kvc h ASN 49 Cb -0.08 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.45 2kvc h ASN 49 CO -0.09 0.37 -0.71 1.05 -0.37 0.00 0.00 177.43 177.69 2kvc h GLU 50 N -0.11 0.00 -0.78 6.67 4.11 -0.91 -1.17 114.58 122.39 2kvc h GLU 50 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 2kvc h GLU 50 Cb 0.30 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2kvc h GLU 50 CO 0.00 0.71 0.36 1.25 0.07 0.00 0.00 179.01 181.41 2kvc h LEU 51 N 0.00 1.03 -0.62 3.06 5.85 -0.15 0.26 115.31 124.75 2kvc h LEU 51 Ca -0.01 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2kvc h LEU 51 Cb 1.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2kvc h LEU 51 CO 0.09 0.89 0.04 0.24 -0.34 0.00 0.00 178.44 179.36 2kvc h MET 52 N 1.11 1.07 0.13 1.25 2.86 -0.95 -0.69 114.93 119.71 2kvc h MET 52 Ca 0.27 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2kvc h MET 52 Cb 0.14 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2kvc h MET 52 CO -0.03 1.02 -0.06 -0.09 1.06 0.00 0.00 176.91 178.81 2kvc h ARG 53 N 0.97 -0.17 0.04 1.72 2.43 -0.36 -3.34 114.38 115.67 2kvc h ARG 53 Ca 0.18 0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 59.06 2kvc h ARG 53 Cb 0.52 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2kvc h ARG 53 CO 0.02 0.21 -1.66 -0.07 -1.51 0.00 0.00 179.97 176.96 2kvc h LEU 54 N -0.59 0.13 0.00 3.80 -0.00 -0.62 -3.48 115.31 114.54 2kvc h LEU 54 Ca -0.02 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2kvc h LEU 54 Cb 0.46 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2kvc h LEU 54 CO 0.03 1.21 0.00 0.61 -0.00 0.00 0.00 178.44 180.29 2kvc n GLY 55 N 1.63 3.31 3.14 0.83 0.00 -0.27 -5.08 105.19 108.75 2kvc n GLY 55 Ca -0.18 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.14 1.68 0.04 1.61 1.01 -1.23 -4.74 116.67 114.90 2kvc s ASP 56 Ca 0.00 -0.45 -0.27 0.00 0.71 0.00 0.00 52.55 52.54 2kvc s ASP 56 Cb 0.00 -0.11 0.08 0.00 1.01 0.00 0.00 42.92 43.90 2kvc s ASP 56 CO 0.00 0.04 0.68 0.12 0.21 0.00 0.00 175.17 176.22 2kvc s PHE 57 N -0.83 -0.56 0.20 4.23 2.19 -1.26 -4.08 117.98 117.86 2kvc s PHE 57 Ca 0.02 0.69 -0.31 0.00 0.33 0.00 0.00 56.93 57.65 2kvc s PHE 57 Cb -0.08 0.49 -0.10 0.00 -1.31 0.00 0.00 43.02 42.02 2kvc s PHE 57 CO 0.01 -0.69 1.52 0.34 1.83 0.00 0.00 175.22 178.24 2kvc s ASP 58 N -1.95 6.60 -1.16 6.13 2.15 -0.83 -4.86 116.67 122.75 2kvc s ASP 58 Ca -0.04 2.64 -0.21 0.00 0.43 0.00 0.00 52.55 55.37 2kvc s ASP 58 Cb -0.01 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2kvc s ASP 58 CO -0.02 -0.78 1.74 -1.10 -0.17 0.00 0.00 175.17 174.83 2kvc s GLN 59 N 0.54 3.40 0.16 4.34 -1.52 -1.26 -4.88 119.66 120.45 2kvc s GLN 59 Ca 0.66 -1.41 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 2kvc s GLN 59 Cb -0.43 -5.38 -0.00 0.00 -0.22 0.00 0.00 33.01 26.98 2kvc s GLN 59 CO 0.36 -2.75 0.00 0.44 -0.25 0.00 0.00 175.29 173.09 2kvc n ILE 60 N 7.00 0.00 -3.85 1.08 -5.35 -1.26 -5.13 119.36 111.85 2kvc n ILE 60 Ca 0.43 -0.79 -0.36 0.00 -0.27 0.00 0.00 62.75 61.76 2kvc n ILE 60 Cb 0.47 0.17 -0.11 0.00 -1.74 0.00 0.00 39.64 38.44 2kvc n ILE 60 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2kvc s ASP 61 N -1.91 5.54 0.17 7.28 2.15 -1.26 -4.99 116.67 123.64 2kvc s ASP 61 Ca 0.01 -0.03 -0.08 0.00 0.43 0.00 0.00 52.55 52.88 2kvc s ASP 61 Cb 0.00 -1.98 0.03 0.00 -0.30 0.00 0.00 42.92 40.67 2kvc s ASP 61 CO 0.00 0.06 1.51 0.40 -0.17 0.00 0.00 175.17 176.98 2kvc h ILE 62 N 5.18 1.28 -0.21 4.11 1.08 -1.99 -3.07 117.51 123.90 2kvc h ILE 62 Ca -0.37 -1.56 0.02 0.00 -0.39 0.00 0.00 64.86 62.55 2kvc h ILE 62 Cb 1.17 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 2kvc h ILE 62 CO 0.63 0.52 0.09 1.23 -0.69 0.00 0.00 178.15 179.93 2kvc h GLY 63 N 0.86 0.27 1.45 5.37 0.00 -1.98 0.14 103.07 109.18 2kvc h GLY 63 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.33 2kvc h GLY 63 CO 0.09 0.05 0.36 -2.08 0.00 0.00 0.00 176.54 174.96 2kvc h VAL 64 N 0.21 1.13 0.06 4.60 2.07 -1.94 -1.64 116.25 120.73 2kvc h VAL 64 Ca 0.09 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2kvc h VAL 64 Cb 0.03 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2kvc h VAL 64 CO -0.07 0.13 -0.03 0.58 0.02 0.00 0.00 177.57 178.20 2kvc h VAL 65 N 0.72 0.85 0.11 2.57 2.07 -1.24 -3.25 116.25 118.08 2kvc h VAL 65 Ca 0.20 -1.48 -0.15 0.00 0.82 0.00 0.00 66.70 66.09 2kvc h VAL 65 Cb -0.05 1.56 0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2kvc h VAL 65 CO -0.05 0.27 -0.68 0.16 0.02 0.00 0.00 177.57 177.29 2kvc h ILE 66 N -0.96 1.54 -0.32 4.57 3.07 -0.74 -3.35 117.51 121.32 2kvc h ILE 66 Ca -0.01 -2.49 0.00 0.00 1.55 0.00 0.00 64.86 63.91 2kvc h ILE 66 Cb 0.50 3.21 0.00 0.00 -0.27 0.00 0.00 36.82 40.27 2kvc h ILE 66 CO 0.01 0.69 0.00 0.35 -1.05 0.00 0.00 178.15 178.16 2kvc n THR 67 N -4.22 0.40 -3.18 0.16 -2.24 -0.62 -4.25 114.28 100.34 2kvc n THR 67 Ca -0.14 -0.64 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 2kvc n THR 67 Cb 0.76 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.79 2kvc n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2kvc n HIS 68 N 1.21 2.42 -1.60 4.78 -0.00 -1.19 -5.00 115.22 115.83 2kvc n HIS 68 Ca 0.18 -3.94 -0.38 0.00 0.46 0.00 0.00 57.72 54.04 2kvc n HIS 68 Cb 0.54 -0.47 0.04 0.00 -0.12 0.00 0.00 29.99 29.98 2kvc n HIS 68 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2kvc n PHE 69 N 0.47 0.77 -4.42 1.57 3.72 -1.26 -4.71 117.46 113.60 2kvc n PHE 69 Ca 0.28 0.45 -0.21 0.00 -0.05 0.00 0.00 57.45 57.92 2kvc n PHE 69 Cb 0.47 -2.14 -0.10 0.00 -0.94 0.00 0.00 39.48 36.77 2kvc n PHE 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kvc s THR 70 N -1.49 1.95 -0.42 4.37 2.01 -0.91 -5.03 115.64 116.11 2kvc s THR 70 Ca 0.73 -2.24 0.26 0.00 0.31 0.00 0.00 61.69 60.76 2kvc s THR 70 Cb -0.44 -2.28 0.32 0.00 0.01 0.00 0.00 72.50 70.11 2kvc s THR 70 CO 0.49 -0.43 1.75 0.44 -0.69 0.00 0.00 174.62 176.19 2kvc h ASP 71 N 2.36 0.00 0.00 3.53 3.32 -1.98 -3.25 116.42 120.40 2kvc h ASP 71 Ca -0.39 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.36 2kvc h ASP 71 Cb 1.24 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.73 2kvc h ASP 71 CO 0.64 0.00 -2.12 1.21 -1.72 0.00 0.00 179.24 177.25 2kvc n GLU 72 N -2.73 1.28 -4.89 3.56 4.07 -1.26 -4.96 120.64 115.72 2kvc n GLU 72 Ca 0.03 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.81 2kvc n GLU 72 Cb 0.41 -1.42 -0.15 0.00 -0.06 0.00 0.00 31.44 30.23 2kvc n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2kvc s LEU 73 N -5.28 2.59 0.24 4.31 1.43 -1.23 -2.53 118.68 118.22 2kvc s LEU 73 Ca -0.10 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.42 2kvc s LEU 73 Cb 0.05 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.62 2kvc s LEU 73 CO 0.65 0.20 0.81 -2.16 0.23 0.00 0.00 176.35 176.08 2kvc s PRO 74 N 0.12 4.44 0.21 1.29 0.04 -1.26 -2.14 135.00 137.70 2kvc s PRO 74 Ca -0.08 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 2kvc s PRO 74 Cb -0.15 -2.94 -0.08 0.00 0.04 0.00 0.00 34.50 31.36 2kvc s PRO 74 CO 0.05 0.40 0.92 -1.12 0.04 0.00 0.00 177.00 177.29 2kvc s SER 75 N -1.53 7.59 0.31 6.66 0.01 -1.05 -4.95 113.70 120.75 2kvc s SER 75 Ca 0.44 1.89 0.03 0.00 1.31 0.00 0.00 55.95 59.61 2kvc s SER 75 Cb -0.19 -2.59 0.61 0.00 0.21 0.00 0.00 66.02 64.06 2kvc s SER 75 CO 0.23 0.14 1.88 -0.65 0.41 0.00 0.00 173.24 175.25 2kvc h PRO 76 N 4.36 0.91 -0.75 12.44 0.11 -1.99 -0.72 132.00 146.36 2kvc h PRO 76 Ca -0.45 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.65 2kvc h PRO 76 Cb 1.20 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 2kvc h PRO 76 CO 0.68 0.60 0.46 1.49 -0.21 0.00 0.00 178.00 181.02 2kvc h GLU 77 N 0.94 0.84 -0.13 1.05 4.22 -1.99 -0.34 114.58 119.16 2kvc h GLU 77 Ca 0.43 -0.05 -0.21 0.00 0.08 0.00 0.00 59.36 59.61 2kvc h GLU 77 Cb 0.40 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2kvc h GLU 77 CO -0.19 0.55 -0.75 -0.44 -2.18 0.00 0.00 179.01 176.00 2kvc h ASP 78 N 0.86 0.77 -0.37 1.04 5.19 -1.66 -2.47 116.42 119.79 2kvc h ASP 78 Ca 0.32 -0.50 0.03 0.00 -0.62 0.00 0.00 57.03 56.26 2kvc h ASP 78 Cb 0.12 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.37 2kvc h ASP 78 CO -0.15 1.28 0.17 0.58 -3.12 0.00 0.00 179.24 178.00 2kvc h VAL 79 N 0.45 0.97 -0.62 -1.35 2.07 -0.60 0.56 116.25 117.73 2kvc h VAL 79 Ca -0.04 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2kvc h VAL 79 Cb 1.36 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2kvc h VAL 79 CO 0.15 0.07 0.24 -0.08 0.02 0.00 0.00 177.57 177.96 2kvc h GLU 80 N 0.36 0.91 -0.10 1.57 4.57 -1.08 -0.46 114.58 120.36 2kvc h GLU 80 Ca 0.16 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2kvc h GLU 80 Cb 0.08 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2kvc h GLU 80 CO -0.12 0.75 0.01 0.00 -1.18 0.00 0.00 179.01 178.47 2kvc h ARG 81 N 0.90 0.18 -0.22 1.92 3.08 -0.86 -1.16 114.38 118.22 2kvc h ARG 81 Ca 0.21 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 2kvc h ARG 81 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2kvc h ARG 81 CO -0.02 0.41 -0.20 -0.24 -1.07 0.00 0.00 179.97 178.85 2kvc h VAL 82 N -0.08 1.24 0.19 2.04 3.04 -0.77 -0.87 116.25 121.04 2kvc h VAL 82 Ca 0.03 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.63 2kvc h VAL 82 Cb 0.33 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2kvc h VAL 82 CO 0.00 0.34 -0.14 -0.09 -1.01 0.00 0.00 177.57 176.67 2kvc h ARG 83 N 0.35 -0.33 -0.73 4.17 1.12 -0.86 -0.04 114.38 118.06 2kvc h ARG 83 Ca 0.06 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.91 2kvc h ARG 83 Cb 0.55 0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.55 2kvc h ARG 83 CO 0.04 -0.22 0.30 0.00 -3.11 0.00 0.00 179.97 176.98 2kvc h ALA 84 N 0.44 0.94 0.34 2.80 0.00 -0.98 0.43 119.26 123.23 2kvc h ALA 84 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kvc h ALA 84 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kvc h ALA 84 CO -0.00 0.55 -0.34 0.00 0.00 0.00 0.00 179.25 179.46 2kvc h ARG 85 N 1.04 -0.68 -0.49 0.00 3.08 -0.89 -2.00 114.38 114.44 2kvc h ARG 85 Ca 0.24 0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 2kvc h ARG 85 Cb 0.19 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2kvc h ARG 85 CO -0.02 -0.45 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.30 2kvc h LEU 86 N -0.71 0.91 -2.38 3.04 -0.00 -0.91 -2.78 115.31 112.48 2kvc h LEU 86 Ca -0.02 -0.34 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2kvc h LEU 86 Cb 0.64 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2kvc h LEU 86 CO -0.06 1.03 -0.02 0.00 -0.00 0.00 0.00 178.44 179.38 2kvc h ALA 87 N 0.91 1.48 0.00 1.53 0.00 -0.81 0.13 119.26 122.50 2kvc h ALA 87 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2kvc h ALA 87 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kvc h ALA 87 CO 0.04 0.03 -0.10 0.00 0.00 0.00 0.00 179.25 179.22 2kvc h ALA 88 N 1.98 1.12 0.00 0.00 0.00 -1.07 -3.09 119.26 118.20 2kvc h ALA 88 Ca -0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 2kvc h ALA 88 Cb 0.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2kvc h ALA 88 CO 0.00 0.12 -2.25 1.04 0.00 0.00 0.00 179.25 178.17 2kvc n GLN 89 N -3.39 0.81 0.00 0.00 3.00 0.24 -5.09 117.38 112.96 2kvc n GLN 89 Ca -0.01 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2kvc n GLN 89 Cb 0.27 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.06 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 2.20 0.87 3.01 1.08 0.00 0.09 -5.09 105.19 107.35 2kvc n GLY 90 Ca -0.35 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 -1.20 -1.03 1.61 -0.11 -1.26 -3.26 118.94 111.69 2kvc s TRP 91 Ca 0.00 -0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.10 2kvc s TRP 91 Cb 0.00 0.06 0.00 0.00 -1.50 0.00 0.00 33.47 32.03 2kvc s TRP 91 CO 0.00 -1.11 0.50 -0.35 -4.62 0.00 0.00 176.95 171.37 2kvc n PRO 92 N 4.20 0.97 -3.47 5.86 -0.04 -1.26 -4.60 135.00 136.66 2kvc n PRO 92 Ca 0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 2kvc n PRO 92 Cb 0.53 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2kvc n PRO 92 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kvc s LEU 93 N -0.03 6.15 -0.05 1.53 2.01 -1.26 -5.01 118.68 122.02 2kvc s LEU 93 Ca 0.00 -2.67 0.01 0.00 0.01 0.00 0.00 54.13 51.48 2kvc s LEU 93 Cb 0.00 -2.08 0.02 0.00 0.01 0.00 0.00 46.19 44.15 2kvc s LEU 93 CO 0.00 -0.52 -0.04 1.51 1.01 0.00 0.00 176.35 178.31 2kvc s ASP 94 N 1.75 1.16 0.00 2.29 -4.77 -1.26 -5.12 116.67 110.71 2kvc s ASP 94 Ca 0.16 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.27 2kvc s ASP 94 Cb -0.15 -0.49 0.00 0.00 -1.09 0.00 0.00 42.92 41.19 2kvc s ASP 94 CO -0.06 -0.08 0.00 -0.67 0.70 0.00 0.00 175.17 175.06 2kvc n ASP 95 N 4.26 0.00 -4.78 2.11 -0.08 -1.26 -5.15 116.55 111.65 2kvc n ASP 95 Ca -0.21 -0.80 -0.39 0.00 -1.51 0.00 0.00 54.79 51.88 2kvc n ASP 95 Cb 0.51 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.91 2kvc n ASP 95 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kvc s VAL 96 N -2.23 4.72 -0.23 5.18 0.11 -1.26 -5.05 120.40 121.65 2kvc s VAL 96 Ca 0.00 1.37 -0.06 0.00 -2.93 0.00 0.00 61.98 60.36 2kvc s VAL 96 Cb 0.00 -3.98 -0.02 0.00 -1.53 0.00 0.00 36.38 30.84 2kvc s VAL 96 CO 0.00 0.48 0.03 -0.13 -3.33 0.00 0.00 175.10 172.15 2kvc s ARG 97 N -0.68 3.60 0.00 1.54 3.00 -1.26 -4.95 118.95 120.20 2kvc s ARG 97 Ca 0.32 -0.51 0.23 0.00 0.00 0.00 0.00 55.73 55.77 2kvc s ARG 97 Cb -0.20 -3.19 0.62 0.00 0.00 0.00 0.00 34.95 32.19 2kvc s ARG 97 CO 0.20 -0.11 1.53 -0.25 0.00 0.00 0.00 175.30 176.66 2kvc n ASP 98 N 4.65 3.90 -2.78 0.23 8.00 -1.26 -4.48 116.55 124.81 2kvc n ASP 98 Ca -0.17 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.24 2kvc n ASP 98 Cb 0.51 -0.46 0.08 0.00 -0.02 0.00 0.00 41.12 41.23 2kvc n ASP 98 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2kvc n ARG 99 N 1.65 1.06 -0.87 -1.24 1.85 -1.26 -4.94 116.66 112.89 2kvc n ARG 99 Ca 0.24 -2.14 0.01 0.00 -1.00 0.00 0.00 57.85 54.96 2kvc n ARG 99 Cb 0.62 -0.91 0.33 0.00 -1.05 0.00 0.00 32.46 31.45 2kvc n ARG 99 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2kvc n GLU 100 N 0.13 3.90 -4.23 2.89 0.28 -1.26 -4.98 120.64 117.37 2kvc n GLU 100 Ca 0.07 -3.09 -0.24 0.00 -0.16 0.00 0.00 57.16 53.74 2kvc n GLU 100 Cb 0.73 -2.15 -0.08 0.00 1.43 0.00 0.00 31.44 31.37 2kvc n GLU 100 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kvc s GLU 101 N -2.91 2.18 -0.29 3.44 2.02 -1.26 -5.12 118.70 116.76 2kvc s GLU 101 Ca 0.52 -1.76 -0.00 0.00 0.02 0.00 0.00 54.97 53.76 2kvc s GLU 101 Cb 0.42 -1.98 0.19 0.00 0.10 0.00 0.00 34.13 32.86 2kvc s GLU 101 CO 0.13 0.04 0.73 -3.38 0.02 0.00 0.00 175.26 172.80 2kvc s HIS 102 N -2.54 -1.42 0.00 1.61 -3.43 -1.26 -5.23 115.29 103.03 2kvc s HIS 102 Ca 0.37 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.57 2kvc s HIS 102 Cb 0.01 0.28 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 2kvc s HIS 102 CO 0.21 -0.82 0.00 0.00 -2.00 0.00 0.00 174.74 172.13