#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhn s ILE 2 N 0.00 1.54 -0.68 2.02 -4.36 -1.26 -5.06 121.20 113.40 2vhn s ILE 2 Ca 0.00 -0.89 -0.26 0.00 -0.26 0.00 0.00 60.65 59.25 2vhn s ILE 2 Cb 0.00 -1.29 -0.13 0.00 1.25 0.00 0.00 42.46 42.29 2vhn s ILE 2 CO 0.00 0.39 2.44 0.54 0.24 0.00 0.00 174.94 178.55 2vhn n ARG 3 N 2.47 0.69 -3.02 0.37 5.12 -1.26 -4.84 116.66 116.19 2vhn n ARG 3 Ca -0.15 -0.22 -0.41 0.00 -1.93 0.00 0.00 57.85 55.14 2vhn n ARG 3 Cb 0.53 -3.04 0.00 0.00 -1.16 0.00 0.00 32.46 28.79 2vhn n ARG 3 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2vhn n GLU 4 N 8.63 4.33 -3.91 5.56 4.07 -1.26 -4.80 120.64 133.27 2vhn n GLU 4 Ca 0.46 -4.58 -0.30 0.00 -0.06 0.00 0.00 57.16 52.67 2vhn n GLU 4 Cb 0.41 -2.48 -0.15 0.00 -0.06 0.00 0.00 31.44 29.16 2vhn n GLU 4 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2vhn s GLU 5 N -2.88 1.23 0.00 5.31 2.02 -1.26 -4.97 118.70 118.15 2vhn s GLU 5 Ca 0.33 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.85 2vhn s GLU 5 Cb 0.07 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.62 2vhn s GLU 5 CO 0.08 -0.91 0.00 0.54 0.02 0.00 0.00 175.26 174.99 2vhn n ARG 6 N 4.52 0.00 0.00 1.61 3.00 -1.26 -4.63 116.66 119.90 2vhn n ARG 6 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2vhn n ARG 6 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 2vhn n ARG 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2vhn n LEU 7 N 0.00 0.00 0.03 0.55 7.99 -1.26 -1.00 117.00 123.30 2vhn n LEU 7 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 2vhn n LEU 7 Cb 0.00 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.30 2vhn n LEU 7 CO 0.00 0.00 0.13 0.25 -1.51 0.00 0.00 177.39 176.26 2vhn h LEU 8 N 0.00 -0.08 -1.50 2.23 5.85 -1.94 -3.41 115.31 116.45 2vhn h LEU 8 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2vhn h LEU 8 Cb 0.00 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2vhn h LEU 8 CO 0.00 0.04 0.01 1.17 -0.34 0.00 0.00 178.44 179.32 2vhn n LYS 9 N -2.84 1.07 -0.07 1.25 4.81 -0.17 -3.91 118.16 118.30 2vhn n LYS 9 Ca -0.01 -0.08 -0.10 0.00 -0.87 0.00 0.00 58.31 57.25 2vhn n LYS 9 Cb 0.04 -1.30 -0.03 0.00 0.02 0.00 0.00 35.03 33.76 2vhn n LYS 9 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2vhn h VAL 10 N 0.07 1.10 -0.18 3.15 -1.51 -1.80 -3.43 116.25 113.64 2vhn h VAL 10 Ca 0.01 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 2vhn h VAL 10 Cb 0.77 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 2vhn h VAL 10 CO 0.02 0.09 0.00 0.18 -1.23 0.00 0.00 177.57 176.63 2vhn n LEU 11 N -4.88 0.00 0.00 4.19 4.32 -1.25 -2.61 117.00 116.76 2vhn n LEU 11 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2vhn n LEU 11 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2vhn n LEU 11 CO 0.34 -0.37 0.00 -1.14 -1.22 0.00 0.00 177.39 175.00 2vhn n ARG 12 N 0.00 0.00 -3.49 3.23 0.63 -1.26 -4.40 116.66 111.37 2vhn n ARG 12 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2vhn n ARG 12 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 2vhn n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vhn s ALA 13 N -1.00 3.63 1.12 5.13 0.00 -1.26 -4.97 121.76 124.42 2vhn s ALA 13 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 2vhn s ALA 13 Cb 0.00 -2.35 0.25 0.00 0.00 0.00 0.00 23.12 21.02 2vhn s ALA 13 CO 0.00 0.55 1.16 -2.14 0.00 0.00 0.00 175.76 175.33 2vhn s PRO 14 N -2.75 -0.61 -0.13 0.00 0.02 -1.26 -0.93 135.00 129.34 2vhn s PRO 14 Ca 0.45 -0.09 -0.01 0.00 0.02 0.00 0.00 61.00 61.37 2vhn s PRO 14 Cb -0.12 -1.67 -0.08 0.00 0.02 0.00 0.00 34.50 32.66 2vhn s PRO 14 CO 0.22 -3.30 -0.13 1.58 -0.33 0.00 0.00 177.00 175.03 2vhn n HIS 15 N -4.46 0.00 -1.86 6.54 -0.00 -1.26 -4.50 115.22 109.67 2vhn n HIS 15 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 2vhn n HIS 15 Cb 0.59 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 2vhn n HIS 15 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2vhn n VAL 16 N -3.10 -6.95 -2.21 3.57 3.14 -1.26 -5.03 118.33 106.50 2vhn n VAL 16 Ca -0.24 2.13 0.00 0.00 -2.96 0.00 0.00 64.34 63.27 2vhn n VAL 16 Cb 0.73 -3.23 0.00 0.00 -1.06 0.00 0.00 33.84 30.28 2vhn n VAL 16 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2vhn n SER 17 N 1.26 0.00 0.05 6.55 3.41 -1.26 -4.94 113.62 118.69 2vhn n SER 17 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2vhn n SER 17 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2vhn n SER 17 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2vhn h GLU 18 N 0.00 -0.15 -0.74 4.33 4.39 -2.04 -3.09 114.58 117.29 2vhn h GLU 18 Ca 0.00 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.87 2vhn h GLU 18 Cb 0.00 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.57 2vhn h GLU 18 CO 0.00 -0.10 0.19 0.87 -1.16 0.00 0.00 179.01 178.81 2vhn h LYS 19 N -0.15 0.27 -6.95 2.33 1.79 -1.98 -3.36 116.57 108.53 2vhn h LYS 19 Ca -0.01 -0.02 -0.37 0.00 -2.18 0.00 0.00 60.65 58.07 2vhn h LYS 19 Cb 0.13 -0.06 0.22 0.00 -1.58 0.00 0.00 32.23 30.93 2vhn h LYS 19 CO 0.00 0.18 -0.17 0.00 -1.08 0.00 0.00 179.45 178.38 2vhn n ALA 20 N -2.65 -5.17 0.00 3.86 0.00 -1.17 -0.89 120.51 114.49 2vhn n ALA 20 Ca 0.14 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.64 2vhn n ALA 20 Cb 0.46 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2vhn n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2vhn n SER 21 N -5.80 0.00 0.00 0.00 7.64 -1.26 -3.50 113.62 110.71 2vhn n SER 21 Ca 0.13 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.07 2vhn n SER 21 Cb 0.60 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 64.05 2vhn n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2vhn n THR 22 N 0.00 1.22 0.00 0.44 -2.24 -1.20 -2.93 114.28 109.58 2vhn n THR 22 Ca 0.00 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2vhn n THR 22 Cb 0.00 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 2vhn n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vhn n ALA 23 N -1.50 -0.00 0.00 6.98 0.00 -0.07 -3.22 120.51 122.70 2vhn n ALA 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2vhn n ALA 23 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2vhn n ALA 23 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2vhn n MET 24 N -0.50 0.00 -0.01 0.00 2.81 0.08 0.49 117.12 119.98 2vhn n MET 24 Ca 0.00 0.34 0.13 0.00 -1.81 0.00 0.00 57.70 56.37 2vhn n MET 24 Cb 0.00 -1.62 0.65 0.00 -0.71 0.00 0.00 33.22 31.54 2vhn n MET 24 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2vhn n GLU 25 N -1.33 1.36 0.00 0.03 4.71 -1.15 -3.94 120.64 120.32 2vhn n GLU 25 Ca 0.00 -0.53 0.00 0.00 -0.01 0.00 0.00 57.16 56.62 2vhn n GLU 25 Cb 0.12 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 2vhn n GLU 25 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2vhn n LYS 26 N -0.33 0.00 -0.52 3.49 5.02 0.18 -5.02 118.16 120.98 2vhn n LYS 26 Ca 0.20 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.20 2vhn n LYS 26 Cb 0.23 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.46 2vhn n LYS 26 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2vhn n SER 27 N 0.00 -2.58 -2.65 4.39 2.88 -1.26 -4.76 113.62 109.64 2vhn n SER 27 Ca 0.00 -0.30 -0.11 0.00 -1.33 0.00 0.00 58.87 57.13 2vhn n SER 27 Cb 0.00 -1.03 -0.05 0.00 -0.75 0.00 0.00 64.21 62.38 2vhn n SER 27 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2vhn n ASN 28 N -3.33 3.12 -4.66 -3.46 3.02 -1.25 -4.21 115.26 104.49 2vhn n ASN 28 Ca 0.04 -2.09 -0.43 0.00 -0.03 0.00 0.00 54.58 52.07 2vhn n ASN 28 Cb 0.56 -0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 2vhn n ASN 28 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2vhn s THR 29 N 2.78 4.50 0.00 3.41 -4.23 -1.25 -2.58 115.64 118.27 2vhn s THR 29 Ca 0.31 1.80 0.00 0.00 -1.18 0.00 0.00 61.69 62.63 2vhn s THR 29 Cb 0.12 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.75 2vhn s THR 29 CO -0.01 -0.21 0.00 0.00 -0.54 0.00 0.00 174.62 173.86 2vhn n ILE 30 N 5.44 0.00 0.00 2.99 3.06 -1.07 -0.74 119.36 129.03 2vhn n ILE 30 Ca 0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.38 2vhn n ILE 30 Cb 0.46 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.64 2vhn n ILE 30 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 2vhn n VAL 31 N 0.00 0.00 -2.43 9.51 0.24 -1.25 -4.65 118.33 119.75 2vhn n VAL 31 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2vhn n VAL 31 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2vhn n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vhn n LEU 32 N 0.00 -5.92 -4.55 1.34 4.32 -1.26 -3.97 117.00 106.95 2vhn n LEU 32 Ca 0.00 1.68 -0.31 0.00 -0.02 0.00 0.00 56.01 57.36 2vhn n LEU 32 Cb 0.00 -2.91 -0.04 0.00 -1.62 0.00 0.00 43.42 38.85 2vhn n LEU 32 CO 0.00 -3.13 1.58 -1.59 -1.22 0.00 0.00 177.39 173.02 2vhn s LYS 33 N -0.93 2.31 0.41 3.23 -2.85 -0.11 -3.26 119.74 118.55 2vhn s LYS 33 Ca -0.16 0.55 -0.22 0.00 -1.00 0.00 0.00 55.97 55.14 2vhn s LYS 33 Cb 0.01 -4.67 -0.11 0.00 -2.06 0.00 0.00 37.83 31.01 2vhn s LYS 33 CO 0.66 -3.31 0.95 0.08 0.10 0.00 0.00 175.35 173.83 2vhn s VAL 34 N 11.03 4.34 0.78 1.79 1.01 -1.08 -4.13 120.40 134.14 2vhn s VAL 34 Ca 0.79 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 64.20 2vhn s VAL 34 Cb -0.12 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2vhn s VAL 34 CO 0.14 -0.23 1.12 0.00 0.00 0.00 0.00 175.10 176.14 2vhn s ALA 35 N -2.07 2.10 0.40 5.51 0.00 -1.07 -4.35 121.76 122.27 2vhn s ALA 35 Ca 0.60 0.49 0.18 0.00 0.00 0.00 0.00 51.96 53.23 2vhn s ALA 35 Cb -0.11 -3.35 1.09 0.00 0.00 0.00 0.00 23.12 20.75 2vhn s ALA 35 CO 0.15 -1.92 1.79 0.87 0.00 0.00 0.00 175.76 176.65 2vhn h LYS 36 N -0.95 0.40 -3.14 0.00 1.57 -1.92 -3.18 116.57 109.35 2vhn h LYS 36 Ca -0.45 -0.02 -0.47 0.00 -1.87 0.00 0.00 60.65 57.84 2vhn h LYS 36 Cb 1.25 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.49 2vhn h LYS 36 CO 0.49 0.26 2.79 -0.25 -0.57 0.00 0.00 179.45 182.18 2vhn n ASP 37 N -4.60 6.33 0.00 0.86 8.00 -1.26 -4.75 116.55 121.14 2vhn n ASP 37 Ca 0.24 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.33 2vhn n ASP 37 Cb 0.83 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 2vhn n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vhn n ALA 38 N 3.79 0.00 -2.39 2.24 0.00 -1.20 -5.03 120.51 117.92 2vhn n ALA 38 Ca 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.99 2vhn n ALA 38 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 2vhn n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2vhn n THR 39 N -0.42-13.09 -0.40 0.00 -2.24 -1.26 -4.09 114.28 92.77 2vhn n THR 39 Ca 0.00 3.01 0.32 0.00 -2.27 0.00 0.00 64.05 65.11 2vhn n THR 39 Cb 0.00 -6.18 0.60 0.00 -2.10 0.00 0.00 70.33 62.65 2vhn n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2vhn h LYS 40 N 4.12 0.16 0.13 -0.78 6.56 -1.95 0.58 116.57 125.38 2vhn h LYS 40 Ca -0.16 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.42 2vhn h LYS 40 Cb 0.36 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.98 2vhn h LYS 40 CO 0.00 0.10 -0.17 0.00 -2.06 0.00 0.00 179.45 177.33 2vhn h ALA 41 N 1.66 -0.83 0.00 3.86 0.00 -1.99 1.38 119.26 123.35 2vhn h ALA 41 Ca 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.63 2vhn h ALA 41 Cb 2.26 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.51 2vhn h ALA 41 CO -0.44 -0.85 0.03 -1.91 0.00 0.00 0.00 179.25 176.08 2vhn n GLU 42 N -3.35 0.00 -0.04 0.00 2.13 0.19 -1.90 120.64 117.68 2vhn n GLU 42 Ca -0.04 0.06 -0.06 0.00 0.66 0.00 0.00 57.16 57.79 2vhn n GLU 42 Cb 0.15 -1.53 -0.03 0.00 0.27 0.00 0.00 31.44 30.29 2vhn n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2vhn n ILE 43 N -0.94 0.43 -0.21 6.31 2.08 -0.24 -4.03 119.36 122.76 2vhn n ILE 43 Ca 0.00 -0.15 -0.09 0.00 0.56 0.00 0.00 62.75 63.07 2vhn n ILE 43 Cb 0.03 -0.95 0.02 0.00 -0.75 0.00 0.00 39.64 37.99 2vhn n ILE 43 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2vhn h LYS 44 N -0.06 1.05 0.06 0.38 3.64 0.25 -3.16 116.57 118.73 2vhn h LYS 44 Ca -0.18 -0.33 -0.30 0.00 -1.27 0.00 0.00 60.65 58.58 2vhn h LYS 44 Cb 1.24 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2vhn h LYS 44 CO -0.05 1.02 -1.61 0.00 -2.27 0.00 0.00 179.45 176.55 2vhn h ALA 45 N 0.98 0.49 0.00 5.00 0.00 -1.74 -3.19 119.26 120.80 2vhn h ALA 45 Ca 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2vhn h ALA 45 Cb 0.54 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2vhn h ALA 45 CO 0.03 1.34 0.00 0.00 0.00 0.00 0.00 179.25 180.62 2vhn n ALA 46 N -2.64 2.02 -0.96 0.00 0.00 -1.20 -1.81 120.51 115.92 2vhn n ALA 46 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2vhn n ALA 46 Cb 1.03 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2vhn n ALA 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2vhn n VAL 47 N -0.38 0.00 -0.08 0.00 3.14 -1.20 -4.68 118.33 115.13 2vhn n VAL 47 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 2vhn n VAL 47 Cb 0.02 1.06 -0.10 0.00 -1.06 0.00 0.00 33.84 33.76 2vhn n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vhn n GLN 48 N 0.00 1.21 -1.35 1.45 10.64 -1.12 -2.92 117.38 125.29 2vhn n GLN 48 Ca 0.00 0.04 -0.24 0.00 -1.83 0.00 0.00 57.00 54.96 2vhn n GLN 48 Cb 0.15 -1.37 -0.04 0.00 -0.86 0.00 0.00 30.24 28.12 2vhn n GLN 48 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2vhn n LYS 49 N -2.72 2.27 0.00 2.61 5.02 -0.75 -3.13 118.16 121.46 2vhn n LYS 49 Ca -0.27 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 2vhn n LYS 49 Cb 0.93 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2vhn n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2vhn n LEU 50 N 0.84 0.00 -0.88 -0.35 7.94 -1.26 -4.91 117.00 118.39 2vhn n LEU 50 Ca 0.45 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.43 2vhn n LEU 50 Cb 0.58 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.71 2vhn n LEU 50 CO 0.33 0.00 0.64 0.49 -1.11 0.00 0.00 177.39 177.74 2vhn n PHE 51 N -0.73 0.48 -3.03 1.96 3.01 -1.15 -4.96 117.46 113.03 2vhn n PHE 51 Ca 0.00 -0.34 -0.22 0.00 1.01 0.00 0.00 57.45 57.90 2vhn n PHE 51 Cb 0.00 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 39.49 2vhn n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2vhn n GLU 52 N 1.02 -4.42 -4.71 -1.08 1.02 -1.18 -4.97 120.64 106.31 2vhn n GLU 52 Ca 0.15 0.83 -0.27 0.00 -0.02 0.00 0.00 57.16 57.86 2vhn n GLU 52 Cb 0.49 -5.66 -0.17 0.00 -0.02 0.00 0.00 31.44 26.08 2vhn n GLU 52 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2vhn s VAL 53 N -3.12 1.39 -0.49 2.62 -7.23 -1.22 -4.81 120.40 107.54 2vhn s VAL 53 Ca 0.30 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 2vhn s VAL 53 Cb -0.14 -1.25 0.03 0.00 0.56 0.00 0.00 36.38 35.58 2vhn s VAL 53 CO 0.37 0.41 1.18 -1.61 -0.31 0.00 0.00 175.10 175.14 2vhn s GLU 54 N 0.64 3.66 0.14 4.82 2.02 -1.26 -4.46 118.70 124.26 2vhn s GLU 54 Ca -0.14 0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.39 2vhn s GLU 54 Cb -0.16 -3.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 2vhn s GLU 54 CO 0.04 -1.47 0.30 0.08 0.02 0.00 0.00 175.26 174.24 2vhn s VAL 55 N 4.67 5.30 -0.17 2.63 1.01 -1.26 -3.81 120.40 128.77 2vhn s VAL 55 Ca 0.48 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2vhn s VAL 55 Cb -0.08 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 2vhn s VAL 55 CO 0.31 -0.05 -0.17 -0.62 0.00 0.00 0.00 175.10 174.57 2vhn n GLU 56 N -0.34 0.40 -3.59 2.72 1.02 -1.13 -4.99 120.64 114.73 2vhn n GLU 56 Ca -0.06 0.12 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 2vhn n GLU 56 Cb 0.53 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 2vhn n GLU 56 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2vhn s VAL 57 N -2.32 0.04 0.27 2.62 -7.23 -1.26 -5.01 120.40 107.51 2vhn s VAL 57 Ca -0.23 -0.44 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 2vhn s VAL 57 Cb 0.07 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.77 2vhn s VAL 57 CO 0.35 -0.19 0.02 -0.69 -0.31 0.00 0.00 175.10 174.28 2vhn s VAL 58 N -3.80 1.13 0.09 1.32 1.01 -1.26 -0.80 120.40 118.08 2vhn s VAL 58 Ca 0.03 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2vhn s VAL 58 Cb 0.01 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.83 2vhn s VAL 58 CO -0.11 -0.17 0.00 0.59 0.00 0.00 0.00 175.10 175.41 2vhn n ASN 59 N -0.54 -0.02 -0.98 3.32 3.02 -1.26 -4.74 115.26 114.06 2vhn n ASN 59 Ca -0.04 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2vhn n ASN 59 Cb 0.65 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 2vhn n ASN 59 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2vhn n THR 60 N -2.85 -2.63 0.00 3.41 -2.24 -1.26 -4.88 114.28 103.83 2vhn n THR 60 Ca 0.00 1.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.95 2vhn n THR 60 Cb 0.03 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 2vhn n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vhn n LEU 61 N -1.64 0.00 0.00 3.22 4.77 0.89 -4.93 117.00 119.30 2vhn n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vhn n LEU 61 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2vhn n LEU 61 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.39 2vhn n VAL 62 N 0.00 0.00 -0.99 4.08 0.24 -1.26 -4.54 118.33 115.86 2vhn n VAL 62 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 2vhn n VAL 62 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2vhn n VAL 62 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2vhn n VAL 63 N -1.75 -1.35 -4.00 3.34 0.31 -1.26 -3.25 118.33 110.36 2vhn n VAL 63 Ca 0.00 0.81 -0.10 0.00 -0.01 0.00 0.00 64.34 65.04 2vhn n VAL 63 Cb 0.00 -1.31 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 2vhn n VAL 63 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2vhn s LYS 64 N -4.47 1.21 0.00 5.55 3.01 -1.26 -3.93 119.74 119.85 2vhn s LYS 64 Ca 0.00 -1.24 0.00 0.00 -1.01 0.00 0.00 55.97 53.72 2vhn s LYS 64 Cb 0.00 0.37 0.00 0.00 -1.01 0.00 0.00 37.83 37.19 2vhn s LYS 64 CO 0.00 -0.44 0.00 0.41 0.51 0.00 0.00 175.35 175.83 2vhn n GLY 65 N -0.24 4.93 0.00 -3.33 0.00 -1.26 -4.91 105.19 100.37 2vhn n GLY 65 Ca -0.05 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2vhn n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhn n LYS 66 N -0.10 0.00 -3.91 1.61 3.00 -1.26 -4.73 118.16 112.77 2vhn n LYS 66 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 2vhn n LYS 66 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 2vhn n LYS 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2vhn n VAL 67 N 0.00 0.00 -3.55 3.15 0.31 -1.18 -5.02 118.33 112.04 2vhn n VAL 67 Ca 0.00 -1.94 -0.29 0.00 -0.01 0.00 0.00 64.34 62.10 2vhn n VAL 67 Cb 0.00 0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 33.62 2vhn n VAL 67 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2vhn n LYS 68 N -0.68 2.50 0.00 5.55 3.00 -1.26 -2.62 118.16 124.65 2vhn n LYS 68 Ca -0.02 -4.60 0.00 0.00 -0.00 0.00 0.00 58.31 53.69 2vhn n LYS 68 Cb 0.49 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 33.22 2vhn n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2vhn n ARG 69 N 1.34 0.00 -2.07 1.64 0.63 -1.26 -4.31 116.66 112.63 2vhn n ARG 69 Ca 0.26 0.40 -0.42 0.00 -0.92 0.00 0.00 57.85 57.17 2vhn n ARG 69 Cb 0.38 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 31.94 2vhn n ARG 69 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2vhn s HIS 70 N -2.34 2.90 0.00 -0.14 2.46 -1.26 -4.96 115.29 111.95 2vhn s HIS 70 Ca 0.00 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.21 2vhn s HIS 70 Cb 0.00 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.65 2vhn s HIS 70 CO 0.00 -3.01 0.00 0.41 -2.47 0.00 0.00 174.74 169.67 2vhn n GLY 71 N 3.72 0.00 3.80 1.59 0.00 -1.26 -4.16 105.19 108.88 2vhn n GLY 71 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2vhn n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vhn s GLN 72 N 0.00 2.86 0.00 1.61 -0.21 -1.26 -4.14 119.66 118.52 2vhn s GLN 72 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.35 2vhn s GLN 72 Cb 0.00 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2vhn s GLN 72 CO 0.00 0.42 0.00 0.54 -2.12 0.00 0.00 175.29 174.13 2vhn n ARG 73 N -0.89 -0.11 -3.81 2.91 1.74 -1.26 -5.01 116.66 110.23 2vhn n ARG 73 Ca -0.08 0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.89 2vhn n ARG 73 Cb 0.57 -2.97 -0.15 0.00 -1.02 0.00 0.00 32.46 28.89 2vhn n ARG 73 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2vhn s ILE 74 N -2.83 -0.03 0.00 0.55 -1.09 -1.26 -5.13 121.20 111.42 2vhn s ILE 74 Ca 0.00 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2vhn s ILE 74 Cb 0.00 -0.08 0.00 0.00 -1.58 0.00 0.00 42.46 40.80 2vhn s ILE 74 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 2vhn n GLY 75 N 3.64 1.66 0.00 6.18 0.00 -1.26 -4.53 105.19 110.88 2vhn n GLY 75 Ca -0.20 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2vhn n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vhn n ARG 76 N 0.00 0.00 0.00 1.61 0.63 -1.08 -4.89 116.66 112.93 2vhn n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vhn n ARG 76 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2vhn n ARG 76 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2vhn n ARG 77 N 0.00 3.50 0.02 -0.14 0.63 -1.26 -3.09 116.66 116.31 2vhn n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vhn n ARG 77 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2vhn n ARG 77 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2vhn n SER 78 N 0.00 -0.29 -1.50 6.15 7.64 -1.26 -4.63 113.62 119.74 2vhn n SER 78 Ca 0.00 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2vhn n SER 78 Cb 0.00 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2vhn n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2vhn n ASP 79 N -2.41 -8.10 -2.79 6.43 10.43 -1.26 -4.97 116.55 113.88 2vhn n ASP 79 Ca 0.00 1.60 -0.11 0.00 2.57 0.00 0.00 54.79 58.85 2vhn n ASP 79 Cb 0.00 -4.70 0.01 0.00 1.84 0.00 0.00 41.12 38.27 2vhn n ASP 79 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 2vhn n TRP 80 N -2.04 -2.02 -3.31 1.24 -0.00 -1.25 -4.98 117.44 105.07 2vhn n TRP 80 Ca 0.00 -1.96 0.03 0.00 -0.00 0.00 0.00 57.50 55.57 2vhn n TRP 80 Cb 0.31 0.77 -0.04 0.00 -0.00 0.00 0.00 31.31 32.36 2vhn n TRP 80 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2vhn s LYS 81 N -2.32 0.23 0.11 5.87 2.20 -1.20 -4.74 119.74 119.89 2vhn s LYS 81 Ca 0.20 0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 2vhn s LYS 81 Cb -0.03 0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 36.55 2vhn s LYS 81 CO 0.14 -0.11 0.39 0.15 -0.36 0.00 0.00 175.35 175.56 2vhn s LYS 82 N 2.45 3.68 0.26 4.03 1.02 -1.26 -2.63 119.74 127.28 2vhn s LYS 82 Ca -0.01 0.03 0.11 0.00 0.02 0.00 0.00 55.97 56.11 2vhn s LYS 82 Cb -0.06 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2vhn s LYS 82 CO -0.16 0.51 -0.18 0.00 -0.92 0.00 0.00 175.35 174.59 2vhn s ALA 83 N -1.55 2.51 -0.01 5.17 0.00 -1.20 -0.08 121.76 126.60 2vhn s ALA 83 Ca 0.37 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 2vhn s ALA 83 Cb -0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2vhn s ALA 83 CO 0.21 0.20 -0.07 0.66 0.00 0.00 0.00 175.76 176.77 2vhn n TYR 84 N -0.55 0.00 -1.29 0.00 4.02 -1.26 -4.37 117.16 113.71 2vhn n TYR 84 Ca -0.06 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.95 2vhn n TYR 84 Cb 0.60 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.76 2vhn n TYR 84 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2vhn n VAL 85 N -3.11 -1.27 -4.17 -0.72 0.24 -1.25 -2.95 118.33 105.10 2vhn n VAL 85 Ca -0.03 0.95 -0.11 0.00 -2.04 0.00 0.00 64.34 63.12 2vhn n VAL 85 Cb 0.10 -1.48 -0.04 0.00 -1.47 0.00 0.00 33.84 30.95 2vhn n VAL 85 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2vhn n THR 86 N -3.66 0.00 0.00 3.34 -2.24 0.02 -2.59 114.28 109.14 2vhn n THR 86 Ca -0.06 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 2vhn n THR 86 Cb 0.56 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2vhn n THR 86 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vhn n LEU 87 N 0.00 0.00 -3.65 3.22 7.99 -1.07 -4.00 117.00 119.50 2vhn n LEU 87 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.02 2vhn n LEU 87 Cb 0.32 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.57 2vhn n LEU 87 CO 0.17 0.00 0.88 -0.54 -1.51 0.00 0.00 177.39 176.38 2vhn s LYS 88 N 2.50 0.21 0.00 3.23 1.02 -1.25 -2.81 119.74 122.64 2vhn s LYS 88 Ca 0.00 0.34 0.12 0.00 0.02 0.00 0.00 55.97 56.46 2vhn s LYS 88 Cb 0.00 0.06 0.73 0.00 -0.52 0.00 0.00 37.83 38.09 2vhn s LYS 88 CO 0.00 -0.04 1.15 -0.85 -0.92 0.00 0.00 175.35 174.69 2vhn n GLU 89 N 3.06 0.40 0.00 1.68 0.00 -1.26 -0.86 120.64 123.66 2vhn n GLU 89 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.00 2vhn n GLU 89 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.53 2vhn n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vhn n GLY 90 N -0.20 -1.04 2.72 -1.84 0.00 -1.26 -4.90 105.19 98.67 2vhn n GLY 90 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 2vhn n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vhn s GLN 91 N -0.05 0.65 0.00 1.61 -0.21 -0.04 -5.14 119.66 116.49 2vhn s GLN 91 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.41 2vhn s GLN 91 Cb 0.00 -0.79 0.00 0.00 1.00 0.00 0.00 33.01 33.22 2vhn s GLN 91 CO 0.00 -1.21 0.00 0.09 -2.12 0.00 0.00 175.29 172.05 2vhn n ASN 92 N 4.13 1.48 -0.94 5.90 3.02 -1.25 -3.76 115.26 123.84 2vhn n ASN 92 Ca 0.12 -0.76 0.05 0.00 -0.03 0.00 0.00 54.58 53.96 2vhn n ASN 92 Cb 0.45 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.71 2vhn n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vhn n LEU 93 N 0.00 1.58 -4.10 3.41 -0.00 -1.26 -4.82 117.00 111.80 2vhn n LEU 93 Ca 0.00 -2.62 -0.34 0.00 -0.00 0.00 0.00 56.01 53.05 2vhn n LEU 93 Cb 0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 43.17 2vhn n LEU 93 CO 0.00 0.79 -0.29 0.47 -0.00 0.00 0.00 177.39 178.36 2vhn n ASP 94 N -0.28 -1.38 -0.86 1.45 10.43 -1.26 -4.20 116.55 120.45 2vhn n ASP 94 Ca 0.11 -1.20 0.00 0.00 2.57 0.00 0.00 54.79 56.27 2vhn n ASP 94 Cb 0.89 -2.14 0.00 0.00 1.84 0.00 0.00 41.12 41.72 2vhn n ASP 94 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 2vhn n PHE 95 N -4.64 0.00 -2.64 1.24 -0.00 -1.26 -4.86 117.46 105.31 2vhn n PHE 95 Ca -0.24 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.79 2vhn n PHE 95 Cb 0.65 -0.39 -0.02 0.00 -0.00 0.00 0.00 39.48 39.72 2vhn n PHE 95 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2vhn s VAL 96 N 0.00 4.16 -5.00 -2.13 -7.23 -1.26 -4.86 120.40 104.08 2vhn s VAL 96 Ca 0.00 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2vhn s VAL 96 Cb 0.00 -5.06 0.00 0.00 0.56 0.00 0.00 36.38 31.88 2vhn s VAL 96 CO 0.00 -1.90 0.00 0.61 -0.31 0.00 0.00 175.10 173.50 2vhn n GLY 97 N 6.04 -1.31 0.00 2.32 0.00 -1.26 -5.14 105.19 105.83 2vhn n GLY 97 Ca 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2vhn n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhn n GLY 98 N -0.39 0.41 0.00 -0.02 0.00 -1.26 -5.12 105.19 98.80 2vhn n GLY 98 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2vhn n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhn n ALA 99 N -0.22 0.00 0.00 4.61 0.00 -1.26 -5.16 120.51 118.47 2vhn n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vhn n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vhn n ALA 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89