#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhp n LYS 2 N 0.00 0.00 0.00 0.00 0.00 -1.26 -4.58 118.16 112.32 2vhp n LYS 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2vhp n LYS 2 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.50 2vhp n LYS 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2vhp n GLN 3 N -1.10 0.00 0.02 1.64 3.00 -1.26 0.54 117.38 120.22 2vhp n GLN 3 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 2vhp n GLN 3 Cb 0.41 -1.43 -0.12 0.00 0.00 0.00 0.00 30.24 29.10 2vhp n GLN 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2vhp h SER 4 N 0.00 0.00 -0.37 1.08 0.87 -1.99 -3.23 113.55 109.92 2vhp h SER 4 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2vhp h SER 4 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2vhp h SER 4 CO 0.00 0.95 0.00 0.80 -0.53 0.00 0.00 176.83 178.05 2vhp n MET 5 N -3.15 2.06 -0.10 2.24 0.00 0.19 -1.31 117.12 117.05 2vhp n MET 5 Ca -0.10 -1.63 -0.20 0.00 -0.00 0.00 0.00 57.70 55.77 2vhp n MET 5 Cb 0.99 -1.40 -0.12 0.00 0.00 0.00 0.00 33.22 32.68 2vhp n MET 5 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2vhp n LYS 6 N 0.83 0.66 0.00 2.12 4.81 -1.24 -4.14 118.16 121.20 2vhp n LYS 6 Ca 0.17 0.20 0.12 0.00 -0.87 0.00 0.00 58.31 57.93 2vhp n LYS 6 Cb 0.42 -1.56 0.20 0.00 0.02 0.00 0.00 35.03 34.11 2vhp n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2vhp n ALA 7 N -3.35 3.36 -1.00 3.14 0.00 -1.22 -4.27 120.51 117.17 2vhp n ALA 7 Ca -0.44 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2vhp n ALA 7 Cb 0.98 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2vhp n ALA 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2vhp n ARG 8 N -0.46 0.00 0.23 0.00 0.63 -0.43 -2.36 116.66 114.27 2vhp n ARG 8 Ca 0.10 0.24 0.11 0.00 -0.92 0.00 0.00 57.85 57.38 2vhp n ARG 8 Cb 0.39 -0.99 0.37 0.00 0.45 0.00 0.00 32.46 32.69 2vhp n ARG 8 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2vhp h GLU 9 N 0.00 0.00 0.00 -0.14 4.81 -1.76 1.06 114.58 118.55 2vhp h GLU 9 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2vhp h GLU 9 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2vhp h GLU 9 CO 0.00 0.00 -0.12 0.28 -0.73 0.00 0.00 179.01 178.44 2vhp h VAL 10 N 0.00 0.47 -0.07 0.32 2.07 -1.65 -2.93 116.25 114.46 2vhp h VAL 10 Ca 0.09 -0.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 2vhp h VAL 10 Cb 1.67 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2vhp h VAL 10 CO -0.00 0.12 -0.69 0.11 0.02 0.00 0.00 177.57 177.12 2vhp h LYS 11 N 0.00 0.31 -0.92 1.57 1.79 0.12 -2.63 116.57 116.81 2vhp h LYS 11 Ca -0.00 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 2vhp h LYS 11 Cb 0.41 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2vhp h LYS 11 CO 0.02 0.88 0.09 0.54 -1.08 0.00 0.00 179.45 179.90 2vhp n ARG 12 N -3.83 1.93 -0.00 3.15 1.74 -1.11 -2.45 116.66 116.09 2vhp n ARG 12 Ca -0.03 -1.04 -0.04 0.00 -0.77 0.00 0.00 57.85 55.97 2vhp n ARG 12 Cb 0.68 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 2vhp n ARG 12 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2vhp n VAL 13 N 0.10 1.06 0.28 1.55 0.31 -1.01 -4.13 118.33 116.49 2vhp n VAL 13 Ca 0.14 0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 2vhp n VAL 13 Cb 0.71 -1.75 -0.05 0.00 -0.91 0.00 0.00 33.84 31.84 2vhp n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vhp h ALA 14 N -0.28 -0.94 -0.83 3.52 0.00 -1.62 -2.74 119.26 116.37 2vhp h ALA 14 Ca -0.06 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2vhp h ALA 14 Cb 0.54 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.45 2vhp h ALA 14 CO -0.03 -0.88 -0.28 -0.07 0.00 0.00 0.00 179.25 177.98 2vhp h LEU 15 N -0.91 -1.03 0.00 0.00 3.38 -1.75 -3.00 115.31 112.01 2vhp h LEU 15 Ca -0.07 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2vhp h LEU 15 Cb 0.55 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2vhp h LEU 15 CO 0.12 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.36 2vhp n ALA 16 N -3.37 0.00 -0.10 1.53 0.00 -1.05 -2.44 120.51 115.09 2vhp n ALA 16 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.42 2vhp n ALA 16 Cb 0.41 0.25 -0.04 0.00 0.00 0.00 0.00 19.45 20.07 2vhp n ALA 16 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2vhp h ASP 17 N 0.00 0.60 0.00 0.00 3.04 -1.48 -3.27 116.42 115.31 2vhp h ASP 17 Ca 0.00 -0.40 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 2vhp h ASP 17 Cb 0.00 -0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.12 2vhp h ASP 17 CO 0.00 0.86 0.00 0.29 -2.04 0.00 0.00 179.24 178.35 2vhp n LYS 18 N -4.44 0.00 0.02 4.15 5.02 -1.02 -3.37 118.16 118.52 2vhp n LYS 18 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2vhp n LYS 18 Cb 0.35 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 2vhp n LYS 18 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2vhp n TYR 19 N -0.90 -0.16 -2.03 2.13 9.36 -1.20 -4.96 117.16 119.40 2vhp n TYR 19 Ca 0.00 0.03 -0.30 0.00 3.32 0.00 0.00 57.90 60.95 2vhp n TYR 19 Cb 0.00 0.09 -0.05 0.00 -0.63 0.00 0.00 39.34 38.75 2vhp n TYR 19 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2vhp s PHE 20 N -1.37 1.74 0.23 2.98 0.40 -1.22 -4.37 117.98 116.37 2vhp s PHE 20 Ca 0.00 0.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.05 2vhp s PHE 20 Cb 0.00 -4.03 0.00 0.00 0.51 0.00 0.00 43.02 39.50 2vhp s PHE 20 CO 0.00 -1.90 0.00 0.00 0.70 0.00 0.00 175.22 174.02 2vhp n ALA 21 N 13.81 3.00 -0.09 5.36 0.00 -1.26 -4.70 120.51 136.62 2vhp n ALA 21 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.67 2vhp n ALA 21 Cb 0.48 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 2vhp n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vhp n LYS 22 N -3.31 0.79 0.00 0.00 5.02 -1.26 -4.15 118.16 115.25 2vhp n LYS 22 Ca 0.00 0.08 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 2vhp n LYS 22 Cb 0.00 -1.38 0.27 0.00 -0.02 0.00 0.00 35.03 33.90 2vhp n LYS 22 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2vhp n ARG 23 N -2.91 0.06 0.20 1.97 3.00 -1.26 -2.63 116.66 115.09 2vhp n ARG 23 Ca -0.31 0.26 0.12 0.00 -0.01 0.00 0.00 57.85 57.91 2vhp n ARG 23 Cb 0.89 -1.50 0.15 0.00 0.00 0.00 0.00 32.46 32.00 2vhp n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2vhp h ALA 24 N 2.46 0.93 -0.27 7.54 0.00 -1.81 -2.95 119.26 125.16 2vhp h ALA 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vhp h ALA 24 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2vhp h ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 2vhp n GLU 25 N -3.04 2.22 -0.05 0.00 1.02 -1.08 -3.93 120.64 115.78 2vhp n GLU 25 Ca 0.03 -1.83 0.25 0.00 -0.02 0.00 0.00 57.16 55.59 2vhp n GLU 25 Cb 0.53 -1.47 0.66 0.00 -0.02 0.00 0.00 31.44 31.14 2vhp n GLU 25 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2vhp h LEU 26 N 3.72 0.00 0.00 -4.62 5.85 -1.64 0.18 115.31 118.80 2vhp h LEU 26 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2vhp h LEU 26 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2vhp h LEU 26 CO 0.00 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.39 2vhp n LYS 27 N -3.61 0.00 -0.31 1.25 5.02 -1.25 -2.78 118.16 116.47 2vhp n LYS 27 Ca 0.14 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.64 2vhp n LYS 27 Cb 0.96 -0.91 0.30 0.00 -0.02 0.00 0.00 35.03 35.36 2vhp n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2vhp h ALA 28 N -2.04 1.47 -3.00 7.82 0.00 -1.62 -3.25 119.26 118.64 2vhp h ALA 28 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2vhp h ALA 28 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2vhp h ALA 28 CO 0.00 -0.22 0.00 -0.89 0.00 0.00 0.00 179.25 178.14 2vhp n ILE 29 N -4.94 0.00 -2.81 0.00 5.41 0.54 -3.22 119.36 114.34 2vhp n ILE 29 Ca 0.21 0.77 -0.43 0.00 1.00 0.00 0.00 62.75 64.31 2vhp n ILE 29 Cb 0.59 -1.50 -0.04 0.00 -0.71 0.00 0.00 39.64 37.98 2vhp n ILE 29 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2vhp s ILE 30 N -0.54 4.34 0.00 1.39 1.01 -1.12 -4.11 121.20 122.17 2vhp s ILE 30 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2vhp s ILE 30 Cb 0.00 -4.58 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2vhp s ILE 30 CO 0.00 -1.19 0.00 -0.24 0.00 0.00 0.00 174.94 173.51 2vhp n SER 31 N 7.61 0.00 -1.11 3.58 2.88 -1.26 -4.62 113.62 120.70 2vhp n SER 31 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2vhp n SER 31 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2vhp n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2vhp n ASP 32 N 0.00 0.00 -0.32 -3.46 10.43 -1.20 -3.86 116.55 118.14 2vhp n ASP 32 Ca 0.00 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.41 2vhp n ASP 32 Cb 0.00 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.03 2vhp n ASP 32 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2vhp n VAL 33 N 0.00 0.95 -0.28 2.53 0.24 -1.26 -4.72 118.33 115.79 2vhp n VAL 33 Ca 0.00 -1.18 0.08 0.00 -2.04 0.00 0.00 64.34 61.21 2vhp n VAL 33 Cb 0.00 0.14 0.23 0.00 -1.47 0.00 0.00 33.84 32.75 2vhp n VAL 33 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2vhp n ASN 34 N -0.70 3.44 0.00 -1.34 3.02 -1.26 -5.22 115.26 113.20 2vhp n ASN 34 Ca 0.08 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 2vhp n ASN 34 Cb 0.68 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2vhp n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vhp n ALA 35 N 1.01 0.00 -1.16 5.41 0.00 -1.26 -4.97 120.51 119.54 2vhp n ALA 35 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.35 2vhp n ALA 35 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.89 2vhp n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vhp n ARG 40 N -2.22 2.94 -1.79 0.00 5.12 -1.25 -5.01 116.66 114.45 2vhp n ARG 40 Ca 0.00 -1.67 -0.37 0.00 -1.93 0.00 0.00 57.85 53.88 2vhp n ARG 40 Cb 0.00 -2.45 0.06 0.00 -1.16 0.00 0.00 32.46 28.91 2vhp n ARG 40 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 2vhp s TRP 41 N 1.69 2.16 -0.30 -1.55 -0.11 -1.26 -4.95 118.94 114.61 2vhp s TRP 41 Ca 0.68 1.47 0.20 0.00 1.22 0.00 0.00 56.10 59.67 2vhp s TRP 41 Cb 0.24 -3.68 0.18 0.00 -1.50 0.00 0.00 33.47 28.70 2vhp s TRP 41 CO -0.03 -2.82 1.45 -0.91 -4.62 0.00 0.00 176.95 170.01 2vhp h ASN 42 N 0.76 0.00 -0.37 5.86 -0.26 -1.97 -3.19 115.58 116.41 2vhp h ASN 42 Ca -0.51 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.25 2vhp h ASN 42 Cb 1.33 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.56 2vhp h ASN 42 CO 0.54 0.21 0.22 0.00 -1.06 0.00 0.00 177.43 177.34 2vhp h ALA 43 N 1.79 0.46 0.13 -0.83 0.00 -1.98 -1.93 119.26 116.90 2vhp h ALA 43 Ca -0.01 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2vhp h ALA 43 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2vhp h ALA 43 CO 0.03 -0.13 -1.85 0.28 0.00 0.00 0.00 179.25 177.57 2vhp h VAL 44 N 0.44 0.79 0.00 0.00 2.07 -1.89 -0.33 116.25 117.32 2vhp h VAL 44 Ca 0.14 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.19 2vhp h VAL 44 Cb 0.00 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2vhp h VAL 44 CO -0.07 0.85 0.02 0.18 0.02 0.00 0.00 177.57 178.57 2vhp n LEU 45 N -3.48 0.00 0.00 2.57 4.77 -1.20 -2.47 117.00 117.19 2vhp n LEU 45 Ca -0.27 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2vhp n LEU 45 Cb 1.06 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2vhp n LEU 45 CO 0.47 -0.42 -0.40 0.29 -1.33 0.00 0.00 177.39 175.99 2vhp n LYS 46 N -1.42 0.69 -0.85 3.23 5.02 -0.73 -4.70 118.16 119.41 2vhp n LYS 46 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2vhp n LYS 46 Cb 0.02 -0.90 0.05 0.00 -0.02 0.00 0.00 35.03 34.18 2vhp n LYS 46 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2vhp n LEU 47 N -2.18 6.16 -0.93 -0.35 7.94 -0.14 -3.74 117.00 123.77 2vhp n LEU 47 Ca 0.00 -3.17 0.07 0.00 -1.11 0.00 0.00 56.01 51.81 2vhp n LEU 47 Cb 0.40 -0.97 0.23 0.00 0.53 0.00 0.00 43.42 43.62 2vhp n LEU 47 CO 0.00 1.14 0.70 0.00 -1.11 0.00 0.00 177.39 178.11 2vhp n GLN 48 N 0.16 3.08 -4.00 1.96 -0.00 -1.03 -4.88 117.38 112.67 2vhp n GLN 48 Ca 0.31 -2.52 -0.31 0.00 -0.00 0.00 0.00 57.00 54.48 2vhp n GLN 48 Cb 0.69 -1.61 -0.15 0.00 -0.00 0.00 0.00 30.24 29.17 2vhp n GLN 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2vhp s THR 49 N -1.86 2.38 0.00 -0.39 -4.23 -1.25 -4.73 115.64 105.57 2vhp s THR 49 Ca 0.36 -2.43 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 2vhp s THR 49 Cb 0.25 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2vhp s THR 49 CO 0.15 -0.63 0.00 0.00 -0.54 0.00 0.00 174.62 173.60 2vhp n LEU 50 N 4.15 0.00 -0.05 4.79 -0.00 -1.26 -4.99 117.00 119.64 2vhp n LEU 50 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.04 2vhp n LEU 50 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2vhp n LEU 50 CO 0.24 0.00 -0.08 -0.65 -0.00 0.00 0.00 177.39 176.90 2vhp h PRO 51 N 0.00 0.00 0.00 1.47 0.11 -1.99 -3.47 132.00 128.12 2vhp h PRO 51 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2vhp h PRO 51 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2vhp h PRO 51 CO 0.00 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.66 2vhp n ARG 52 N -4.33 0.00 0.00 1.05 3.00 -1.26 -3.66 116.66 111.46 2vhp n ARG 52 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.85 2vhp n ARG 52 Cb 0.06 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.64 2vhp n ARG 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2vhp n ASP 53 N 3.10 0.00 0.00 6.15 2.03 -1.26 -1.90 116.55 124.66 2vhp n ASP 53 Ca 0.00 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2vhp n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2vhp n ASP 53 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2vhp n SER 54 N -0.95 0.59 -4.46 1.67 2.88 -1.24 -4.58 113.62 107.54 2vhp n SER 54 Ca 0.03 -1.23 -0.33 0.00 -1.33 0.00 0.00 58.87 56.01 2vhp n SER 54 Cb 0.01 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.60 2vhp n SER 54 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2vhp n SER 55 N -0.11 -1.66 0.04 -3.46 2.88 -0.80 -4.24 113.62 106.26 2vhp n SER 55 Ca 0.00 0.36 0.14 0.00 -1.33 0.00 0.00 58.87 58.04 2vhp n SER 55 Cb 0.32 -1.25 0.52 0.00 -0.75 0.00 0.00 64.21 63.05 2vhp n SER 55 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2vhp n PRO 56 N -1.97 0.10 0.00 -1.46 -0.04 -1.26 -3.21 135.00 127.16 2vhp n PRO 56 Ca 0.08 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2vhp n PRO 56 Cb 0.53 -1.62 0.62 0.00 -0.04 0.00 0.00 33.50 32.99 2vhp n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2vhp n SER 57 N -1.79 0.04 -2.61 3.54 7.64 -1.26 -4.42 113.62 114.76 2vhp n SER 57 Ca 0.06 0.36 -0.25 0.00 1.01 0.00 0.00 58.87 60.06 2vhp n SER 57 Cb 0.37 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.05 2vhp n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2vhp n ARG 58 N -1.47 2.82 -4.12 1.43 1.74 -1.20 -4.82 116.66 111.05 2vhp n ARG 58 Ca 0.08 -1.75 -0.17 0.00 -0.77 0.00 0.00 57.85 55.23 2vhp n ARG 58 Cb 0.33 -2.33 -0.15 0.00 -1.02 0.00 0.00 32.46 29.29 2vhp n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2vhp s GLN 59 N 0.88 0.52 0.00 5.56 -0.21 -1.26 -4.74 119.66 120.41 2vhp s GLN 59 Ca 0.66 -0.11 0.18 0.00 0.02 0.00 0.00 55.36 56.11 2vhp s GLN 59 Cb 0.27 -0.55 0.18 0.00 1.00 0.00 0.00 33.01 33.91 2vhp s GLN 59 CO -0.05 0.01 1.12 -2.13 -2.12 0.00 0.00 175.29 172.11 2vhp n ARG 60 N 3.50 1.67 0.00 2.91 3.00 -1.26 -5.02 116.66 121.46 2vhp n ARG 60 Ca -0.19 -1.68 0.00 0.00 -0.00 0.00 0.00 57.85 55.98 2vhp n ARG 60 Cb 0.54 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.64 2vhp n ARG 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2vhp n ASN 61 N 1.05 0.00 -1.84 6.15 5.03 -1.26 -4.84 115.26 119.55 2vhp n ASN 61 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 2vhp n ASN 61 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.23 2vhp n ASN 61 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2vhp n ARG 62 N 0.00 -5.16 -1.02 3.52 1.74 -1.26 -4.89 116.66 109.59 2vhp n ARG 62 Ca 0.00 3.73 -0.33 0.00 -0.77 0.00 0.00 57.85 60.48 2vhp n ARG 62 Cb 0.00 -4.12 -0.01 0.00 -1.02 0.00 0.00 32.46 27.32 2vhp n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vhp h ARG 64 N 0.33 0.00 -0.01 0.00 9.65 -1.83 -2.86 114.38 119.67 2vhp h ARG 64 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2vhp h ARG 64 Cb 1.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2vhp h ARG 64 CO 0.38 0.42 -0.03 0.94 2.80 0.00 0.00 179.97 184.48 2vhp n GLN 65 N -3.10 0.58 0.00 0.20 -0.06 -1.26 -4.71 117.38 109.03 2vhp n GLN 65 Ca -0.02 -0.68 0.00 0.00 -2.00 0.00 0.00 57.00 54.30 2vhp n GLN 65 Cb 0.76 -1.04 0.00 0.00 -4.06 0.00 0.00 30.24 25.91 2vhp n GLN 65 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2vhp n THR 66 N 0.07 0.00 -1.89 1.69 -2.24 -1.26 -5.03 114.28 105.62 2vhp n THR 66 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2vhp n THR 66 Cb 0.12 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 2vhp n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vhp n GLY 67 N 0.00 0.30 3.21 3.38 0.00 -1.08 -4.20 105.19 106.81 2vhp n GLY 67 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2vhp n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vhp s ARG 68 N -3.89 2.88 0.00 1.61 3.00 -1.26 -4.44 118.95 116.85 2vhp s ARG 68 Ca 0.00 -2.23 0.00 0.00 -1.00 0.00 0.00 55.73 52.50 2vhp s ARG 68 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 34.95 30.91 2vhp s ARG 68 CO 0.00 -1.22 0.00 -0.35 0.00 0.00 0.00 175.30 173.73 2vhp n PRO 69 N 4.17 1.91 -0.27 5.12 -0.04 -1.26 -3.15 135.00 141.48 2vhp n PRO 69 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2vhp n PRO 69 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2vhp n PRO 69 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2vhp n HIS 70 N -0.21 -0.27 -3.05 0.54 8.25 -1.26 -4.54 115.22 114.68 2vhp n HIS 70 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 2vhp n HIS 70 Cb 0.00 -0.60 -0.00 0.00 1.12 0.00 0.00 29.99 30.51 2vhp n HIS 70 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2vhp s GLY 71 N -0.27 -1.31 0.06 -1.41 0.00 -1.26 -5.10 107.32 98.02 2vhp s GLY 71 Ca 0.00 0.96 -0.27 0.00 0.00 0.00 0.00 44.72 45.41 2vhp s GLY 71 CO 0.00 3.94 0.67 -0.12 0.00 0.00 0.00 173.10 177.59 2vhp s PHE 72 N 2.19 -0.56 -0.33 1.90 5.36 -1.26 -3.92 117.98 121.35 2vhp s PHE 72 Ca 0.16 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 56.78 2vhp s PHE 72 Cb -0.02 0.50 0.16 0.00 -0.34 0.00 0.00 43.02 43.31 2vhp s PHE 72 CO -0.15 -0.72 0.39 -0.51 -1.46 0.00 0.00 175.22 172.78 2vhp s LEU 73 N -2.10 -0.46 0.63 6.12 1.43 -1.24 -4.94 118.68 118.13 2vhp s LEU 73 Ca -0.03 -0.96 0.27 0.00 -1.03 0.00 0.00 54.13 52.38 2vhp s LEU 73 Cb -0.01 0.85 1.37 0.00 0.03 0.00 0.00 46.19 48.43 2vhp s LEU 73 CO -0.04 -0.31 1.78 0.03 0.23 0.00 0.00 176.35 178.04 2vhp h ARG 74 N 7.66 0.00 -0.21 1.70 3.08 -1.90 0.69 114.38 125.40 2vhp h ARG 74 Ca -0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2vhp h ARG 74 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 2vhp h ARG 74 CO 0.24 0.00 -0.25 -0.22 -1.07 0.00 0.00 179.97 178.67 2vhp h LYS 75 N 0.00 0.54 -0.86 0.04 1.63 -1.98 -3.25 116.57 112.69 2vhp h LYS 75 Ca 0.14 -0.30 -0.35 0.00 -0.85 0.00 0.00 60.65 59.30 2vhp h LYS 75 Cb 1.20 0.02 -0.21 0.00 -0.60 0.00 0.00 32.23 32.65 2vhp h LYS 75 CO -0.00 0.89 0.44 1.19 -3.45 0.00 0.00 179.45 178.52 2vhp n PHE 76 N -4.39 2.74 0.00 1.91 3.01 0.23 -4.95 117.46 116.01 2vhp n PHE 76 Ca -0.05 -1.47 0.00 0.00 1.01 0.00 0.00 57.45 56.94 2vhp n PHE 76 Cb 0.44 -0.80 0.00 0.00 -0.01 0.00 0.00 39.48 39.10 2vhp n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vhp n GLY 77 N -0.56 0.00 0.00 1.37 0.00 -0.41 -4.52 105.19 101.07 2vhp n GLY 77 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2vhp n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vhp n LEU 78 N 0.00 0.00 -4.25 0.99 7.99 -1.26 -3.39 117.00 117.08 2vhp n LEU 78 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 2vhp n LEU 78 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 2vhp n LEU 78 CO 0.00 0.00 -0.24 -0.94 -1.51 0.00 0.00 177.39 174.70 2vhp s SER 79 N -0.29 0.63 0.00 -1.43 1.04 -1.26 -3.58 113.70 108.81 2vhp s SER 79 Ca 0.00 -1.42 0.02 0.00 0.48 0.00 0.00 55.95 55.03 2vhp s SER 79 Cb 0.00 0.32 0.11 0.00 0.10 0.00 0.00 66.02 66.55 2vhp s SER 79 CO 0.00 -0.82 0.38 -2.11 0.98 0.00 0.00 173.24 171.67 2vhp n ARG 80 N -0.37 0.22 0.01 4.02 1.85 -1.25 -0.27 116.66 120.86 2vhp n ARG 80 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.84 2vhp n ARG 80 Cb 0.66 -1.13 -0.01 0.00 -1.05 0.00 0.00 32.46 30.93 2vhp n ARG 80 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2vhp n ILE 81 N -0.63 1.30 0.33 8.89 5.41 -1.26 -3.91 119.36 129.49 2vhp n ILE 81 Ca 0.01 0.33 0.14 0.00 1.00 0.00 0.00 62.75 64.23 2vhp n ILE 81 Cb 0.01 -1.81 0.60 0.00 -0.71 0.00 0.00 39.64 37.73 2vhp n ILE 81 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2vhp h LYS 82 N -0.29 0.00 0.00 0.38 6.56 -1.92 0.95 116.57 122.25 2vhp h LYS 82 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2vhp h LYS 82 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2vhp h LYS 82 CO -0.00 0.00 -0.46 0.28 -2.06 0.00 0.00 179.45 177.21 2vhp n VAL 83 N -2.50 0.18 -0.02 0.50 0.31 0.62 -2.56 118.33 114.87 2vhp n VAL 83 Ca 0.01 -0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 64.20 2vhp n VAL 83 Cb 0.21 -0.05 -0.00 0.00 -0.91 0.00 0.00 33.84 33.09 2vhp n VAL 83 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2vhp h ARG 84 N 0.00 0.00 -0.96 5.55 2.43 0.70 -3.28 114.38 118.82 2vhp h ARG 84 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2vhp h ARG 84 Cb 0.62 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 2vhp h ARG 84 CO 0.00 0.00 0.62 0.93 -1.51 0.00 0.00 179.97 180.01 2vhp h GLU 85 N -0.26 1.15 -0.73 0.20 5.08 -1.06 -2.00 114.58 116.96 2vhp h GLU 85 Ca 0.00 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2vhp h GLU 85 Cb 0.06 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2vhp h GLU 85 CO 0.00 0.76 0.44 0.00 -1.00 0.00 0.00 179.01 179.21 2vhp h ALA 86 N 1.40 0.93 0.00 3.43 0.00 -1.72 -2.05 119.26 121.25 2vhp h ALA 86 Ca 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2vhp h ALA 86 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2vhp h ALA 86 CO -0.13 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2vhp n ALA 87 N -2.33 1.34 1.06 0.00 0.00 -0.77 -0.67 120.51 119.14 2vhp n ALA 87 Ca 0.07 0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.76 2vhp n ALA 87 Cb 0.05 -1.34 0.10 0.00 0.00 0.00 0.00 19.45 18.26 2vhp n ALA 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2vhp n MET 88 N -2.21 0.71 -0.12 0.00 2.00 -0.78 -4.17 117.12 112.54 2vhp n MET 88 Ca 0.00 -0.54 -0.25 0.00 0.00 0.00 0.00 57.70 56.91 2vhp n MET 88 Cb 0.13 -1.49 -0.09 0.00 0.00 0.00 0.00 33.22 31.76 2vhp n MET 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2vhp n ARG 89 N -0.68 0.54 0.00 0.03 1.74 -0.43 -5.05 116.66 112.81 2vhp n ARG 89 Ca 0.08 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2vhp n ARG 89 Cb 0.39 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2vhp n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vhp n GLY 90 N 1.58 1.53 0.00 -0.13 0.00 0.15 -4.93 105.19 103.38 2vhp n GLY 90 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2vhp n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vhp n GLU 91 N -0.97 0.04 -3.79 1.61 -0.58 -1.22 -4.28 120.64 111.45 2vhp n GLU 91 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2vhp n GLU 91 Cb 0.00 -1.29 -0.16 0.00 -0.57 0.00 0.00 31.44 29.41 2vhp n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2vhp s ILE 92 N -2.00 0.76 0.46 -3.67 1.01 -1.26 -5.08 121.20 111.41 2vhp s ILE 92 Ca 0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 2vhp s ILE 92 Cb 0.00 -1.14 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 2vhp s ILE 92 CO 0.01 -0.09 0.83 -2.16 0.00 0.00 0.00 174.94 173.52 2vhp s PRO 93 N 1.76 3.74 0.00 2.79 0.04 -1.26 -3.75 135.00 138.32 2vhp s PRO 93 Ca -0.01 0.51 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2vhp s PRO 93 Cb -0.17 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2vhp s PRO 93 CO -0.07 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2vhp n GLY 94 N -1.67 3.06 3.37 0.56 0.00 -1.26 -4.95 105.19 104.30 2vhp n GLY 94 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 2vhp n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vhp s LEU 95 N 0.00 6.14 0.00 0.99 1.98 -1.25 -4.95 118.68 121.59 2vhp s LEU 95 Ca 0.00 -3.06 0.00 0.00 -2.89 0.00 0.00 54.13 48.18 2vhp s LEU 95 Cb 0.00 -2.26 0.00 0.00 0.66 0.00 0.00 46.19 44.59 2vhp s LEU 95 CO 0.00 -0.53 0.00 1.17 -1.89 0.00 0.00 176.35 175.10 2vhp n LYS 96 N 3.97 2.61 -3.74 1.98 4.81 -1.26 -4.98 118.16 121.55 2vhp n LYS 96 Ca 0.23 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.29 2vhp n LYS 96 Cb 0.43 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.36 2vhp n LYS 96 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2vhp s LYS 97 N 2.01 3.22 0.99 1.64 1.02 -1.26 -5.08 119.74 122.27 2vhp s LYS 97 Ca 0.00 -0.78 -0.16 0.00 0.02 0.00 0.00 55.97 55.05 2vhp s LYS 97 Cb 0.00 -3.40 -0.09 0.00 -0.52 0.00 0.00 37.83 33.82 2vhp s LYS 97 CO 0.00 -0.40 -0.43 0.00 -0.92 0.00 0.00 175.35 173.60 2vhp n ALA 98 N 4.90 -4.57 0.00 5.17 0.00 -1.26 -5.01 120.51 119.73 2vhp n ALA 98 Ca -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2vhp n ALA 98 Cb 0.49 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2vhp n ALA 98 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vhp n SER 99 N 1.88 0.00 0.00 0.00 3.41 -1.26 -5.31 113.62 112.34 2vhp n SER 99 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2vhp n SER 99 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2vhp n SER 99 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21