#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 6.13 -0.14 1.61 0.01 -1.26 -5.05 113.70 115.00 2kvc s SER 2 Ca 0.00 -0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.14 2kvc s SER 2 Cb 0.00 -2.17 0.06 0.00 0.21 0.00 0.00 66.02 64.12 2kvc s SER 2 CO 0.00 -0.19 0.32 -1.38 0.41 0.00 0.00 173.24 172.40 2kvc s HIS 3 N 1.91 -0.49 0.63 2.43 -3.43 -1.26 -5.03 115.29 110.04 2kvc s HIS 3 Ca 0.10 1.08 0.43 0.00 -0.80 0.00 0.00 55.06 55.86 2kvc s HIS 3 Cb -0.16 0.13 2.31 0.00 -1.43 0.00 0.00 32.58 33.43 2kvc s HIS 3 CO 0.11 -0.32 2.34 0.00 -2.00 0.00 0.00 174.74 174.87 2kvc h MET 4 N 7.51 0.00 -0.69 -0.38 -0.00 -2.03 -1.95 114.93 117.38 2kvc h MET 4 Ca -0.31 0.00 0.16 0.00 -0.00 0.00 0.00 59.70 59.55 2kvc h MET 4 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.71 2kvc h MET 4 CO 0.27 0.00 0.48 -0.97 -0.00 0.00 0.00 176.91 176.69 2kvc h ASN 5 N 0.00 0.23 -0.92 -0.10 -0.73 -2.00 -1.91 115.58 110.15 2kvc h ASN 5 Ca -0.00 0.01 0.11 0.00 1.87 0.00 0.00 56.30 58.30 2kvc h ASN 5 Cb 0.03 -0.03 -0.08 0.00 0.27 0.00 0.00 38.32 38.51 2kvc h ASN 5 CO 0.00 0.12 0.55 -0.09 -0.37 0.00 0.00 177.43 177.64 2kvc h ARG 6 N 0.25 0.86 0.01 6.67 1.12 -1.78 0.75 114.38 122.25 2kvc h ARG 6 Ca 0.34 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.16 2kvc h ARG 6 Cb 0.98 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 2kvc h ARG 6 CO -0.07 0.57 -0.01 0.35 -3.11 0.00 0.00 179.97 177.70 2kvc h PHE 7 N 0.88 -0.02 -0.29 2.20 3.57 -1.57 -2.78 116.94 118.93 2kvc h PHE 7 Ca 0.46 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.97 2kvc h PHE 7 Cb 0.46 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2kvc h PHE 7 CO -0.03 0.76 0.17 -0.07 -2.23 0.00 0.00 178.31 176.91 2kvc h LEU 8 N -0.85 0.28 -1.24 0.59 4.07 -1.43 -0.90 115.31 115.83 2kvc h LEU 8 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2kvc h LEU 8 Cb 0.78 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 2kvc h LEU 8 CO 0.00 0.20 0.34 0.74 -1.08 0.00 0.00 178.44 178.64 2kvc h THR 9 N 0.35 1.19 -0.40 0.22 2.02 -0.98 0.19 112.91 115.50 2kvc h THR 9 Ca 0.12 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2kvc h THR 9 Cb -0.00 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 2kvc h THR 9 CO -0.05 0.21 0.23 -1.28 0.37 0.00 0.00 175.52 175.00 2kvc h SER 10 N 0.87 0.49 -0.26 4.18 0.87 -1.08 0.95 113.55 119.57 2kvc h SER 10 Ca 0.22 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2kvc h SER 10 Cb 0.03 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2kvc h SER 10 CO -0.04 0.42 0.09 0.40 -0.53 0.00 0.00 176.83 177.18 2kvc h ILE 11 N 0.53 1.19 -0.44 2.23 1.08 -0.34 -0.89 117.51 120.86 2kvc h ILE 11 Ca 0.14 -0.59 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 2kvc h ILE 11 Cb 0.02 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2kvc h ILE 11 CO -0.03 0.19 0.19 0.58 -0.69 0.00 0.00 178.15 178.40 2kvc h VAL 12 N 0.27 0.91 -0.74 1.67 2.07 -0.44 0.19 116.25 120.18 2kvc h VAL 12 Ca 0.09 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2kvc h VAL 12 Cb 0.22 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2kvc h VAL 12 CO -0.00 0.07 0.49 0.00 0.02 0.00 0.00 177.57 178.14 2kvc h ALA 13 N 1.26 0.94 0.09 1.67 0.00 -0.66 -0.30 119.26 122.26 2kvc h ALA 13 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kvc h ALA 13 Cb 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kvc h ALA 13 CO -0.17 0.35 -0.06 2.35 0.00 0.00 0.00 179.25 181.71 2kvc h TRP 14 N 0.99 -0.16 -0.26 0.00 7.01 -0.43 0.19 115.95 123.29 2kvc h TRP 14 Ca 0.27 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.29 2kvc h TRP 14 Cb -0.11 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 2kvc h TRP 14 CO -0.02 -0.10 0.12 -0.07 -2.79 0.00 0.00 178.44 175.57 2kvc h LEU 15 N -0.16 0.16 -0.65 0.65 3.38 -0.23 -0.02 115.31 118.45 2kvc h LEU 15 Ca -0.01 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2kvc h LEU 15 Cb 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kvc h LEU 15 CO 0.00 0.13 -0.32 0.08 0.09 0.00 0.00 178.44 178.42 2kvc h ARG 16 N 0.26 0.71 0.00 1.13 0.11 -1.02 -2.42 114.38 113.14 2kvc h ARG 16 Ca 0.11 -0.32 -0.04 0.00 0.10 0.00 0.00 59.98 59.83 2kvc h ARG 16 Cb 0.05 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 2kvc h ARG 16 CO -0.09 0.93 -0.18 0.00 0.10 0.00 0.00 179.97 180.73 2kvc h ALA 17 N 1.05 1.62 -0.57 0.08 0.00 -0.45 -0.13 119.26 120.86 2kvc h ALA 17 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2kvc h ALA 17 Cb 0.84 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2kvc h ALA 17 CO 0.07 0.22 0.17 0.78 0.00 0.00 0.00 179.25 180.50 2kvc h GLY 18 N 0.61 0.92 -5.95 0.00 0.00 -0.50 -3.38 103.07 94.76 2kvc h GLY 18 Ca -0.00 -0.51 -0.49 0.00 0.00 0.00 0.00 47.33 46.33 2kvc h GLY 18 CO 0.02 0.48 -0.92 -1.72 0.00 0.00 0.00 176.54 174.40 2kvc n TYR 19 N -4.29 -1.34 0.30 5.60 4.01 -0.41 -4.83 117.16 116.20 2kvc n TYR 19 Ca 0.04 -3.00 0.17 0.00 -0.16 0.00 0.00 57.90 54.95 2kvc n TYR 19 Cb 0.21 0.34 0.75 0.00 -0.31 0.00 0.00 39.34 40.33 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 4.88 0.00 -0.01 -0.72 0.13 -1.27 -1.67 132.00 133.34 2kvc h PRO 20 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kvc h PRO 20 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kvc h PRO 20 CO 0.35 0.00 -0.10 -0.85 -0.23 0.00 0.00 178.00 177.17 2kvc n GLU 21 N -2.93 1.30 0.00 0.86 0.00 -1.26 -5.00 120.64 113.61 2kvc n GLU 21 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 57.16 56.43 2kvc n GLU 21 Cb 0.24 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.20 2kvc n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kvc n GLY 22 N 1.24 3.30 3.60 -1.84 0.00 -0.63 -5.03 105.19 105.83 2kvc n GLY 22 Ca 0.16 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.37 4.54 0.72 -0.61 1.09 -1.26 -4.90 121.20 120.41 2kvc s ILE 23 Ca 0.00 1.20 -0.15 0.00 -1.10 0.00 0.00 60.65 60.60 2kvc s ILE 23 Cb 0.00 -4.37 0.03 0.00 -1.06 0.00 0.00 42.46 37.06 2kvc s ILE 23 CO 0.00 -0.59 1.19 -2.84 -0.10 0.00 0.00 174.94 172.60 2kvc s PRO 24 N 3.58 2.27 0.22 2.79 0.02 -1.26 -3.94 135.00 138.67 2kvc s PRO 24 Ca 0.39 1.70 -0.08 0.00 0.02 0.00 0.00 61.00 63.03 2kvc s PRO 24 Cb -0.11 -1.86 0.34 0.00 0.02 0.00 0.00 34.50 32.89 2kvc s PRO 24 CO 0.20 -1.72 1.71 -1.00 -0.33 0.00 0.00 177.00 175.86 2kvc h PRO 25 N -0.21 0.30 -0.43 5.54 0.13 -1.96 0.37 132.00 135.74 2kvc h PRO 25 Ca -0.48 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kvc h PRO 25 Cb 1.29 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2kvc h PRO 25 CO 0.51 0.20 0.27 1.79 -0.23 0.00 0.00 178.00 180.53 2kvc h THR 26 N 0.31 1.13 0.00 1.56 1.35 -2.01 -2.46 112.91 112.80 2kvc h THR 26 Ca 0.34 -0.29 -0.09 0.00 -0.55 0.00 0.00 66.41 65.82 2kvc h THR 26 Cb 0.51 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 2kvc h THR 26 CO -0.40 0.13 -0.44 0.44 -0.25 0.00 0.00 175.52 175.00 2kvc h ASP 27 N 0.57 0.00 -0.53 5.36 5.19 -1.65 -2.53 116.42 122.84 2kvc h ASP 27 Ca 0.16 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 2kvc h ASP 27 Cb -0.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2kvc h ASP 27 CO -0.03 0.44 0.15 0.28 -3.12 0.00 0.00 179.24 176.95 2kvc h SER 28 N 0.00 0.79 -0.27 6.45 0.02 0.08 0.29 113.55 120.92 2kvc h SER 28 Ca -0.00 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 2kvc h SER 28 Cb 1.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2kvc h SER 28 CO 0.06 0.81 -0.06 -0.26 -1.14 0.00 0.00 176.83 176.24 2kvc h PHE 29 N 0.74 0.68 -0.23 3.45 -1.00 -1.25 -1.01 116.94 118.31 2kvc h PHE 29 Ca 0.17 -0.10 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 2kvc h PHE 29 Cb 0.31 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 2kvc h PHE 29 CO 0.02 0.68 0.09 0.00 -1.61 0.00 0.00 178.31 177.49 2kvc h ALA 30 N 1.35 0.30 -0.21 2.45 0.00 -0.98 -0.81 119.26 121.35 2kvc h ALA 30 Ca 0.11 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kvc h ALA 30 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2kvc h ALA 30 CO 0.02 -0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.44 2kvc h VAL 31 N 0.22 0.83 -0.88 0.00 2.07 -0.09 -1.04 116.25 117.35 2kvc h VAL 31 Ca 0.08 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2kvc h VAL 31 Cb 0.18 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2kvc h VAL 31 CO -0.01 0.01 0.48 0.17 0.02 0.00 0.00 177.57 178.24 2kvc h LEU 32 N 0.05 1.11 -0.16 2.57 8.10 -1.05 0.31 115.31 126.23 2kvc h LEU 32 Ca 0.10 -0.10 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 2kvc h LEU 32 Cb 0.14 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 40.07 2kvc h LEU 32 CO -0.19 0.89 0.09 0.00 -4.11 0.00 0.00 178.44 175.12 2kvc h ALA 33 N 1.29 0.21 -0.32 0.17 0.00 -0.71 -0.12 119.26 119.78 2kvc h ALA 33 Ca 0.31 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2kvc h ALA 33 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kvc h ALA 33 CO -0.05 -0.26 0.09 -0.07 0.00 0.00 0.00 179.25 178.96 2kvc h LEU 34 N 0.16 0.48 -0.89 0.00 -0.00 -0.78 -3.08 115.31 111.19 2kvc h LEU 34 Ca 0.06 -0.22 -0.10 0.00 -0.00 0.00 0.00 57.88 57.61 2kvc h LEU 34 Cb 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 2kvc h LEU 34 CO -0.01 0.57 -0.31 -0.07 -0.00 0.00 0.00 178.44 178.62 2kvc h LEU 35 N 0.36 0.46 -1.85 1.67 4.07 -0.86 -2.58 115.31 116.58 2kvc h LEU 35 Ca 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2kvc h LEU 35 Cb 0.27 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2kvc h LEU 35 CO -0.00 0.75 0.00 0.00 -1.08 0.00 0.00 178.44 178.11 2kvc n ARG 37 N -2.87 1.73 -0.02 0.00 1.74 -0.97 -4.31 116.66 111.96 2kvc n ARG 37 Ca -0.01 -1.23 -0.03 0.00 -0.77 0.00 0.00 57.85 55.81 2kvc n ARG 37 Cb 0.19 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.44 0.07 -4.19 5.56 3.00 -0.54 -5.08 116.66 115.92 2kvc n ARG 38 Ca 0.15 0.03 -0.25 0.00 -0.00 0.00 0.00 57.85 57.78 2kvc n ARG 38 Cb 0.45 -0.73 -0.07 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 -5.93 3.04 0.73 6.15 1.43 0.12 -5.13 118.68 119.09 2kvc s LEU 39 Ca -0.05 -1.14 -0.02 0.00 -1.03 0.00 0.00 54.13 51.89 2kvc s LEU 39 Cb 0.02 -1.34 0.12 0.00 0.03 0.00 0.00 46.19 45.02 2kvc s LEU 39 CO 0.06 -0.58 1.01 -0.55 0.23 0.00 0.00 176.35 176.52 2kvc s SER 40 N -3.90 4.33 0.49 2.29 0.15 -1.26 -4.23 113.70 111.56 2kvc s SER 40 Ca 0.39 -0.25 0.15 0.00 0.70 0.00 0.00 55.95 56.93 2kvc s SER 40 Cb 0.04 -0.14 1.17 0.00 -1.71 0.00 0.00 66.02 65.38 2kvc s SER 40 CO 0.21 -1.88 2.09 1.12 1.20 0.00 0.00 173.24 175.99 2kvc h HIS 41 N -0.58 0.16 0.31 3.44 2.07 -1.92 -1.22 115.15 117.41 2kvc h HIS 41 Ca -0.38 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.13 2kvc h HIS 41 Cb 1.27 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.20 2kvc h HIS 41 CO -0.21 0.09 -0.15 -0.44 -3.07 0.00 0.00 177.93 174.15 2kvc h ASP 42 N 0.17 -0.36 -0.28 3.10 5.19 -1.98 -0.67 116.42 121.58 2kvc h ASP 42 Ca 0.10 -0.15 0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2kvc h ASP 42 Cb 0.18 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 2kvc h ASP 42 CO -0.02 -0.03 0.15 -0.33 -3.12 0.00 0.00 179.24 175.89 2kvc h GLU 43 N -0.70 0.31 -0.61 3.56 3.07 -1.81 0.85 114.58 119.25 2kvc h GLU 43 Ca -0.04 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 2kvc h GLU 43 Cb 0.48 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2kvc h GLU 43 CO 0.07 0.20 0.02 -0.39 -1.40 0.00 0.00 179.01 177.52 2kvc h VAL 44 N 0.32 1.26 -0.60 3.13 -1.51 -1.26 0.73 116.25 118.32 2kvc h VAL 44 Ca 0.11 -1.12 -0.10 0.00 -1.23 0.00 0.00 66.70 64.36 2kvc h VAL 44 Cb 0.02 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 29.92 2kvc h VAL 44 CO -0.07 0.41 -0.03 0.50 -1.23 0.00 0.00 177.57 177.16 2kvc h LYS 45 N 0.98 1.08 -0.16 5.19 3.64 -0.89 -1.03 116.57 125.37 2kvc h LYS 45 Ca 0.18 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 2kvc h LYS 45 Cb 0.53 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2kvc h LYS 45 CO 0.03 1.06 0.03 0.00 -2.27 0.00 0.00 179.45 178.30 2kvc h ALA 46 N 0.98 0.22 -0.36 5.00 0.00 -0.40 0.22 119.26 124.92 2kvc h ALA 46 Ca 0.17 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2kvc h ALA 46 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kvc h ALA 46 CO 0.04 -0.12 -0.38 -0.24 0.00 0.00 0.00 179.25 178.55 2kvc h VAL 47 N 0.06 1.28 -0.25 0.00 3.04 -0.83 0.63 116.25 120.18 2kvc h VAL 47 Ca 0.05 -1.55 -0.04 0.00 -1.01 0.00 0.00 66.70 64.15 2kvc h VAL 47 Cb 0.30 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 2kvc h VAL 47 CO 0.00 0.51 0.02 0.00 -1.01 0.00 0.00 177.57 177.09 2kvc h ALA 48 N 0.86 0.33 -0.56 3.17 0.00 -1.16 -0.70 119.26 121.19 2kvc h ALA 48 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kvc h ALA 48 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2kvc h ALA 48 CO 0.09 0.05 0.28 -0.97 0.00 0.00 0.00 179.25 178.70 2kvc h ASN 49 N 0.22 0.73 -0.29 0.00 -0.73 -0.86 -0.20 115.58 114.44 2kvc h ASN 49 Ca 0.07 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2kvc h ASN 49 Cb 0.38 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2kvc h ASN 49 CO 0.01 0.64 0.19 -0.08 -0.37 0.00 0.00 177.43 177.81 2kvc h GLU 50 N 0.76 0.38 -0.09 6.67 4.57 -0.76 0.44 114.58 126.55 2kvc h GLU 50 Ca 0.19 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.22 2kvc h GLU 50 Cb 0.10 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2kvc h GLU 50 CO -0.03 0.26 -0.51 1.25 -1.18 0.00 0.00 179.01 178.80 2kvc h LEU 51 N 0.38 0.26 -0.35 1.64 5.85 -0.88 -0.43 115.31 121.78 2kvc h LEU 51 Ca 0.10 -0.13 -0.19 0.00 0.84 0.00 0.00 57.88 58.50 2kvc h LEU 51 Cb -0.03 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2kvc h LEU 51 CO -0.02 0.73 -0.82 0.24 -0.34 0.00 0.00 178.44 178.22 2kvc h MET 52 N 0.19 0.26 -0.84 1.25 2.86 -0.81 -2.91 114.93 114.93 2kvc h MET 52 Ca 0.01 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2kvc h MET 52 Cb 0.97 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 2kvc h MET 52 CO 0.08 0.95 0.54 -0.09 1.06 0.00 0.00 176.91 179.45 2kvc h ARG 53 N 0.16 1.12 0.00 1.72 2.43 0.50 -1.29 114.38 119.01 2kvc h ARG 53 Ca -0.04 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 2kvc h ARG 53 Cb 1.42 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2kvc h ARG 53 CO 0.13 0.75 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.92 2kvc h LEU 54 N 1.15 0.00 0.00 3.80 3.38 -1.03 -3.47 115.31 119.13 2kvc h LEU 54 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2kvc h LEU 54 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2kvc h LEU 54 CO -0.06 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2kvc n GLY 55 N -0.19 0.77 0.96 0.83 0.00 -0.49 -4.94 105.19 102.13 2kvc n GLY 55 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2kvc n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvc n ASP 56 N 0.15 2.88 -4.92 1.61 8.00 -1.13 -4.91 116.55 118.24 2kvc n ASP 56 Ca 0.00 -1.91 -0.20 0.00 0.71 0.00 0.00 54.79 53.39 2kvc n ASP 56 Cb 0.00 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 2kvc n ASP 56 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2kvc s PHE 57 N -1.61 2.49 0.28 1.24 2.19 -1.22 -4.44 117.98 116.91 2kvc s PHE 57 Ca 0.36 -0.53 -0.05 0.00 0.33 0.00 0.00 56.93 57.04 2kvc s PHE 57 Cb 0.21 -2.20 -0.05 0.00 -1.31 0.00 0.00 43.02 39.67 2kvc s PHE 57 CO 0.30 -0.33 0.54 0.34 1.83 0.00 0.00 175.22 177.90 2kvc s ASP 58 N -4.25 6.46 -1.09 6.13 2.15 -1.25 -4.87 116.67 119.95 2kvc s ASP 58 Ca 0.50 0.71 -0.19 0.00 0.43 0.00 0.00 52.55 54.00 2kvc s ASP 58 Cb -0.05 -2.14 0.10 0.00 -0.30 0.00 0.00 42.92 40.53 2kvc s ASP 58 CO 0.29 -0.17 1.40 -1.58 -0.17 0.00 0.00 175.17 174.94 2kvc s GLN 59 N -3.46 3.78 0.10 4.34 2.00 -1.26 -4.93 119.66 120.22 2kvc s GLN 59 Ca 0.44 -1.80 0.02 0.00 -2.00 0.00 0.00 55.36 52.02 2kvc s GLN 59 Cb -0.11 -5.19 -0.04 0.00 0.80 0.00 0.00 33.01 28.47 2kvc s GLN 59 CO 0.29 -1.99 -0.07 0.96 -0.50 0.00 0.00 175.29 173.98 2kvc s ILE 60 N 3.40 0.72 -1.07 -2.34 -0.00 -1.26 -5.09 121.20 115.57 2kvc s ILE 60 Ca 0.43 -1.88 -0.22 0.00 -0.00 0.00 0.00 60.65 58.97 2kvc s ILE 60 Cb -0.01 -1.62 0.05 0.00 -0.00 0.00 0.00 42.46 40.87 2kvc s ILE 60 CO -0.04 -0.83 1.53 -1.81 -0.00 0.00 0.00 174.94 173.79 2kvc s ASP 61 N -2.95 6.48 -0.06 4.36 1.01 -1.26 -4.71 116.67 119.54 2kvc s ASP 61 Ca 0.11 -1.60 -0.07 0.00 0.71 0.00 0.00 52.55 51.70 2kvc s ASP 61 Cb 0.04 -2.57 -0.28 0.00 1.01 0.00 0.00 42.92 41.12 2kvc s ASP 61 CO -0.04 -1.53 0.60 0.40 0.21 0.00 0.00 175.17 174.81 2kvc h ILE 62 N 6.59 0.86 0.00 0.77 1.08 -1.97 -3.25 117.51 121.58 2kvc h ILE 62 Ca 0.24 -2.51 -0.00 0.00 -0.39 0.00 0.00 64.86 62.19 2kvc h ILE 62 Cb 0.98 2.66 -0.00 0.00 -3.07 0.00 0.00 36.82 37.39 2kvc h ILE 62 CO 1.42 0.84 -0.01 1.23 -0.69 0.00 0.00 178.15 180.95 2kvc h GLY 63 N 1.17 0.00 0.50 5.37 0.00 -1.94 -1.93 103.07 106.24 2kvc h GLY 63 Ca -0.35 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 2kvc h GLY 63 CO 0.14 0.00 -0.87 -2.08 0.00 0.00 0.00 176.54 173.73 2kvc h VAL 64 N 0.00 1.40 -0.11 4.60 2.07 -1.95 -3.36 116.25 118.90 2kvc h VAL 64 Ca -0.00 -2.45 -0.12 0.00 0.82 0.00 0.00 66.70 64.95 2kvc h VAL 64 Cb 0.05 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2kvc h VAL 64 CO 0.00 0.67 -0.45 0.58 0.02 0.00 0.00 177.57 178.39 2kvc h VAL 65 N -0.49 1.33 0.00 2.57 2.07 -1.44 0.12 116.25 120.40 2kvc h VAL 65 Ca -0.18 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 2kvc h VAL 65 Cb 1.55 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2kvc h VAL 65 CO 0.08 0.48 -0.06 0.16 0.02 0.00 0.00 177.57 178.26 2kvc h ILE 66 N 0.21 0.20 -0.02 4.57 3.07 -1.55 -1.90 117.51 122.09 2kvc h ILE 66 Ca 0.01 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 65.94 2kvc h ILE 66 Cb 0.88 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2kvc h ILE 66 CO 0.07 0.05 0.00 0.35 -1.05 0.00 0.00 178.15 177.58 2kvc n THR 67 N -3.25 0.02 -3.08 0.16 -2.24 -0.90 -4.79 114.28 100.20 2kvc n THR 67 Ca -0.01 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 2kvc n THR 67 Cb 0.26 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.90 -0.87 0.61 4.78 5.65 0.36 -5.08 115.29 119.84 2kvc s HIS 68 Ca 0.13 -0.82 -0.18 0.00 0.25 0.00 0.00 55.06 54.44 2kvc s HIS 68 Cb 0.09 -0.06 -0.03 0.00 -1.18 0.00 0.00 32.58 31.41 2kvc s HIS 68 CO 0.14 -1.12 1.18 -0.06 -0.65 0.00 0.00 174.74 174.23 2kvc s PHE 69 N 0.99 2.42 0.12 3.88 0.08 -1.00 -4.23 117.98 120.22 2kvc s PHE 69 Ca 0.26 1.54 0.03 0.00 0.12 0.00 0.00 56.93 58.87 2kvc s PHE 69 Cb -0.03 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.97 2kvc s PHE 69 CO -0.08 -2.10 0.15 0.99 -0.10 0.00 0.00 175.22 174.08 2kvc s THR 70 N -1.77 4.77 0.19 0.64 2.01 -1.16 -5.02 115.64 115.31 2kvc s THR 70 Ca 0.75 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 2kvc s THR 70 Cb -0.28 -3.38 0.15 0.00 0.01 0.00 0.00 72.50 69.00 2kvc s THR 70 CO 0.35 0.01 1.67 -0.78 -0.69 0.00 0.00 174.62 175.18 2kvc h ASP 71 N 2.76 -0.27 -0.24 3.53 3.58 -2.01 -2.95 116.42 120.83 2kvc h ASP 71 Ca -0.47 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.11 2kvc h ASP 71 Cb 1.18 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2kvc h ASP 71 CO 0.67 -0.10 0.00 -1.84 -2.88 0.00 0.00 179.24 175.09 2kvc n GLU 72 N -5.26 2.80 -4.16 0.28 0.28 -1.26 -4.98 120.64 108.33 2kvc n GLU 72 Ca 0.06 -2.18 -0.16 0.00 -0.16 0.00 0.00 57.16 54.72 2kvc n GLU 72 Cb 0.29 -1.38 -0.14 0.00 1.43 0.00 0.00 31.44 31.63 2kvc n GLU 72 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2kvc s LEU 73 N -1.57 2.00 0.69 -1.84 1.43 -1.11 -4.36 118.68 113.91 2kvc s LEU 73 Ca 0.24 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2kvc s LEU 73 Cb 0.16 -0.27 0.08 0.00 0.03 0.00 0.00 46.19 46.19 2kvc s LEU 73 CO 0.10 0.06 0.97 -2.16 0.23 0.00 0.00 176.35 175.56 2kvc s PRO 74 N -0.11 2.07 0.13 1.29 0.04 -1.26 -2.97 135.00 134.19 2kvc s PRO 74 Ca 0.02 -0.57 -0.02 0.00 0.04 0.00 0.00 61.00 60.46 2kvc s PRO 74 Cb -0.02 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2kvc s PRO 74 CO -0.00 -1.23 0.33 -1.12 0.04 0.00 0.00 177.00 175.02 2kvc s SER 75 N -4.56 6.43 0.36 6.66 0.01 -1.26 -4.99 113.70 116.34 2kvc s SER 75 Ca 0.62 0.46 0.07 0.00 1.31 0.00 0.00 55.95 58.40 2kvc s SER 75 Cb -0.09 -2.04 0.77 0.00 0.21 0.00 0.00 66.02 64.87 2kvc s SER 75 CO 0.44 0.06 1.93 -0.65 0.41 0.00 0.00 173.24 175.42 2kvc h PRO 76 N 2.70 0.71 -0.54 12.44 0.11 -1.99 -1.13 132.00 144.30 2kvc h PRO 76 Ca -0.46 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2kvc h PRO 76 Cb 1.17 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2kvc h PRO 76 CO 0.72 0.47 0.18 0.93 -0.21 0.00 0.00 178.00 180.09 2kvc h GLU 77 N 0.73 0.81 0.11 1.05 5.08 -1.98 -0.42 114.58 119.96 2kvc h GLU 77 Ca 0.36 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2kvc h GLU 77 Cb 0.43 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kvc h GLU 77 CO -0.14 0.69 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.07 2kvc h ASP 78 N 0.79 -0.13 -0.77 1.42 3.32 -1.63 -2.31 116.42 117.12 2kvc h ASP 78 Ca 0.18 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 2kvc h ASP 78 Cb 0.22 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2kvc h ASP 78 CO -0.01 0.45 0.45 -0.37 -1.72 0.00 0.00 179.24 178.03 2kvc h VAL 79 N -0.78 1.22 -0.51 -1.35 -1.51 -1.18 -0.54 116.25 111.60 2kvc h VAL 79 Ca -0.02 -0.51 -0.07 0.00 -1.23 0.00 0.00 66.70 64.88 2kvc h VAL 79 Cb 0.56 0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 29.87 2kvc h VAL 79 CO 0.03 0.24 0.04 -0.08 -1.23 0.00 0.00 177.57 176.56 2kvc h GLU 80 N 1.05 0.83 0.21 5.19 4.81 -1.18 -0.62 114.58 124.87 2kvc h GLU 80 Ca 0.27 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2kvc h GLU 80 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2kvc h GLU 80 CO -0.05 0.81 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.85 2kvc h ARG 81 N 0.78 -0.27 -0.52 1.92 2.43 -0.72 -0.34 114.38 117.66 2kvc h ARG 81 Ca 0.16 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2kvc h ARG 81 Cb 0.42 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2kvc h ARG 81 CO 0.01 -0.04 0.16 -0.24 -1.51 0.00 0.00 179.97 178.36 2kvc h VAL 82 N -0.46 1.21 -0.10 0.20 3.04 -1.07 -1.05 116.25 118.03 2kvc h VAL 82 Ca -0.03 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2kvc h VAL 82 Cb 0.35 0.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.26 2kvc h VAL 82 CO 0.05 0.27 0.06 -0.09 -1.01 0.00 0.00 177.57 176.84 2kvc h ARG 83 N 0.76 0.13 -0.49 4.17 2.43 -0.91 0.14 114.38 120.60 2kvc h ARG 83 Ca 0.17 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2kvc h ARG 83 Cb 0.22 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2kvc h ARG 83 CO -0.01 0.10 0.22 0.00 -1.51 0.00 0.00 179.97 178.77 2kvc h ALA 84 N 1.02 0.64 0.00 2.80 0.00 -0.51 -0.97 119.26 122.23 2kvc h ALA 84 Ca 0.03 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 2kvc h ALA 84 Cb 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.62 2kvc h ALA 84 CO -0.01 0.22 -1.04 -0.09 0.00 0.00 0.00 179.25 178.33 2kvc h ARG 85 N 0.65 0.68 0.00 0.00 2.43 -1.11 -3.26 114.38 113.77 2kvc h ARG 85 Ca 0.17 -0.74 -0.12 0.00 -0.81 0.00 0.00 59.98 58.48 2kvc h ARG 85 Cb 0.16 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2kvc h ARG 85 CO -0.02 1.31 -0.55 -0.07 -1.51 0.00 0.00 179.97 179.14 2kvc h LEU 86 N 0.38 0.00 -2.29 3.80 -0.00 -0.68 -2.94 115.31 113.59 2kvc h LEU 86 Ca -0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.74 2kvc h LEU 86 Cb 1.69 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.35 2kvc h LEU 86 CO 0.20 0.55 -0.05 0.00 -0.00 0.00 0.00 178.44 179.15 2kvc h ALA 87 N 1.45 1.37 0.00 1.53 0.00 -1.22 -1.62 119.26 120.77 2kvc h ALA 87 Ca -0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kvc h ALA 87 Cb 1.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kvc h ALA 87 CO 0.07 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 2kvc h ALA 88 N 1.95 1.10 -0.44 0.00 0.00 -1.62 -0.97 119.26 119.28 2kvc h ALA 88 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kvc h ALA 88 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kvc h ALA 88 CO 0.01 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.39 2kvc n GLN 89 N -3.32 2.51 0.00 0.00 3.00 -0.61 -5.04 117.38 113.92 2kvc n GLN 89 Ca -0.01 -2.30 0.00 0.00 -0.01 0.00 0.00 57.00 54.68 2kvc n GLN 89 Cb 0.26 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.98 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 1.52 2.95 2.60 1.08 0.00 -0.37 -5.00 105.19 107.98 2kvc n GLY 90 Ca 0.20 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.86 1.15 -1.09 1.61 -0.11 -1.26 -4.13 118.94 112.26 2kvc s TRP 91 Ca 0.00 -1.66 0.04 0.00 1.22 0.00 0.00 56.10 55.70 2kvc s TRP 91 Cb 0.00 -1.32 0.20 0.00 -1.50 0.00 0.00 33.47 30.85 2kvc s TRP 91 CO 0.00 -0.83 0.90 -0.35 -4.62 0.00 0.00 176.95 172.05 2kvc n PRO 92 N 4.41 1.88 -0.56 5.86 -0.04 -1.26 -3.67 135.00 141.62 2kvc n PRO 92 Ca 0.04 -0.79 0.09 0.00 -0.04 0.00 0.00 63.50 62.79 2kvc n PRO 92 Cb 0.39 -1.57 0.32 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.14 4.33 -4.56 1.53 4.32 -1.26 -4.85 117.00 116.65 2kvc n LEU 93 Ca 0.07 -2.18 -0.43 0.00 -0.02 0.00 0.00 56.01 53.45 2kvc n LEU 93 Cb 0.42 -0.55 -0.03 0.00 -1.62 0.00 0.00 43.42 41.64 2kvc n LEU 93 CO 0.08 0.74 0.95 -0.62 -1.22 0.00 0.00 177.39 177.32 2kvc s ASP 94 N -0.85 6.42 0.56 -1.43 -1.08 -1.24 -5.01 116.67 114.04 2kvc s ASP 94 Ca 0.46 -0.02 0.06 0.00 -0.52 0.00 0.00 52.55 52.52 2kvc s ASP 94 Cb 0.30 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 39.30 2kvc s ASP 94 CO 0.22 -1.36 0.45 1.51 0.52 0.00 0.00 175.17 176.51 2kvc s ASP 95 N 2.85 4.64 0.09 -0.34 -4.77 -1.26 -5.09 116.67 112.79 2kvc s ASP 95 Ca 0.39 -1.26 -0.30 0.00 -3.30 0.00 0.00 52.55 48.08 2kvc s ASP 95 Cb -0.09 0.51 -0.05 0.00 -1.09 0.00 0.00 42.92 42.20 2kvc s ASP 95 CO 0.24 -1.18 0.99 -0.69 0.70 0.00 0.00 175.17 175.23 2kvc s VAL 96 N -2.79 4.51 0.00 2.11 1.01 -1.26 -5.04 120.40 118.94 2kvc s VAL 96 Ca 0.35 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.33 2kvc s VAL 96 Cb -0.03 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2kvc s VAL 96 CO 0.22 0.26 0.00 -2.11 0.00 0.00 0.00 175.10 173.47 2kvc n ARG 97 N 3.08 0.93 -1.74 2.72 0.00 -1.26 -5.09 116.66 115.29 2kvc n ARG 97 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.46 2kvc n ARG 97 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.92 2kvc n ARG 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kvc s ASP 98 N -0.66 6.36 -0.08 2.89 1.01 -1.26 -4.82 116.67 120.11 2kvc s ASP 98 Ca 0.00 2.46 0.22 0.00 0.71 0.00 0.00 52.55 55.94 2kvc s ASP 98 Cb 0.00 -2.53 0.41 0.00 1.01 0.00 0.00 42.92 41.81 2kvc s ASP 98 CO 0.00 -1.15 1.15 -1.14 0.21 0.00 0.00 175.17 174.24 2kvc n ARG 99 N 7.63 0.49 -2.47 8.23 0.00 -1.26 -5.03 116.66 124.25 2kvc n ARG 99 Ca 0.21 -2.24 -0.39 0.00 -0.00 0.00 0.00 57.85 55.42 2kvc n ARG 99 Cb 0.42 -0.34 -0.02 0.00 0.00 0.00 0.00 32.46 32.52 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 -0.95 3.57 0.41 -0.14 -1.05 -1.26 -4.91 118.70 114.37 2kvc s GLU 100 Ca 0.28 -1.53 0.07 0.00 -0.15 0.00 0.00 54.97 53.64 2kvc s GLU 100 Cb 0.33 -5.42 -0.07 0.00 -0.44 0.00 0.00 34.13 28.54 2kvc s GLU 100 CO -0.12 -2.56 0.09 -1.21 0.95 0.00 0.00 175.26 172.41 2kvc s GLU 101 N 4.94 2.08 0.00 -4.83 2.02 -1.26 -5.02 118.70 116.63 2kvc s GLU 101 Ca 0.55 -1.97 0.28 0.00 0.02 0.00 0.00 54.97 53.84 2kvc s GLU 101 Cb 0.02 -1.81 1.02 0.00 0.10 0.00 0.00 34.13 33.46 2kvc s GLU 101 CO 0.03 -0.07 1.73 1.58 0.02 0.00 0.00 175.26 178.55 2kvc n HIS 102 N -1.09 0.00 -1.01 1.61 -0.00 -1.26 -5.32 115.22 108.15 2kvc n HIS 102 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 2kvc n HIS 102 Cb 0.66 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2kvc n HIS 102 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80