#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhn n PHE 2 N 0.00 -3.23 -3.71 1.12 3.72 -1.26 -3.93 117.46 110.17 2vhn n PHE 2 Ca 0.00 1.79 -0.35 0.00 -0.05 0.00 0.00 57.45 58.83 2vhn n PHE 2 Cb 0.00 -3.31 -0.08 0.00 -0.94 0.00 0.00 39.48 35.15 2vhn n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2vhn s THR 3 N -0.66 5.40 -0.09 4.37 2.01 -1.26 -1.67 115.64 123.74 2vhn s THR 3 Ca -0.17 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2vhn s THR 3 Cb 0.01 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2vhn s THR 3 CO 0.59 0.44 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.26 2vhn s ILE 4 N 0.33 0.85 0.26 1.82 1.01 -0.67 -4.93 121.20 119.88 2vhn s ILE 4 Ca 0.09 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2vhn s ILE 4 Cb -0.11 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.38 2vhn s ILE 4 CO -0.01 0.33 1.29 0.54 0.00 0.00 0.00 174.94 177.08 2vhn s ASN 5 N 1.47 6.89 0.21 3.58 2.20 -1.26 0.69 114.94 128.72 2vhn s ASN 5 Ca -0.01 2.50 -0.07 0.00 -0.94 0.00 0.00 52.86 54.34 2vhn s ASN 5 Cb -0.13 -2.63 -0.02 0.00 -2.00 0.00 0.00 41.25 36.47 2vhn s ASN 5 CO -0.04 -0.49 0.30 0.00 -2.94 0.00 0.00 177.10 173.93 2vhn s ALA 6 N -0.52 0.34 -0.20 3.54 0.00 -1.17 -4.60 121.76 119.14 2vhn s ALA 6 Ca 0.52 -1.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.01 2vhn s ALA 6 Cb -0.37 1.13 0.13 0.00 0.00 0.00 0.00 23.12 24.01 2vhn s ALA 6 CO 0.44 -0.71 1.02 -1.83 0.00 0.00 0.00 175.76 174.68 2vhn s GLU 7 N -4.06 0.55 0.58 0.00 -1.05 -1.26 -1.57 118.70 111.90 2vhn s GLU 7 Ca 0.27 0.29 -0.19 0.00 -0.15 0.00 0.00 54.97 55.19 2vhn s GLU 7 Cb 0.03 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.95 2vhn s GLU 7 CO 0.08 -0.14 1.23 0.14 0.95 0.00 0.00 175.26 177.52 2vhn s VAL 8 N -0.65 2.55 -0.43 1.83 -7.23 -1.25 -2.89 120.40 112.34 2vhn s VAL 8 Ca 0.00 0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 60.24 2vhn s VAL 8 Cb -0.02 -3.15 0.02 0.00 0.56 0.00 0.00 36.38 33.79 2vhn s VAL 8 CO -0.01 -0.06 1.31 -0.13 -0.31 0.00 0.00 175.10 175.89 2vhn s ARG 9 N -3.25 3.66 0.38 4.82 1.81 -0.85 -4.86 118.95 120.65 2vhn s ARG 9 Ca 0.77 0.83 0.07 0.00 -1.72 0.00 0.00 55.73 55.67 2vhn s ARG 9 Cb -0.32 -3.97 0.79 0.00 -0.45 0.00 0.00 34.95 31.00 2vhn s ARG 9 CO 0.35 -1.46 1.99 0.87 -0.68 0.00 0.00 175.30 176.37 2vhn h LYS 10 N 10.05 0.67 -4.55 3.54 1.57 -1.93 -3.42 116.57 122.51 2vhn h LYS 10 Ca -0.26 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.17 2vhn h LYS 10 Cb 1.09 -0.15 -0.24 0.00 0.08 0.00 0.00 32.23 33.00 2vhn h LYS 10 CO 1.10 0.44 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.46 2vhn s GLU 11 N -5.61 0.53 0.16 3.15 2.02 -1.26 -5.17 118.70 112.52 2vhn s GLU 11 Ca -0.09 -0.53 -0.00 0.00 0.02 0.00 0.00 54.97 54.36 2vhn s GLU 11 Cb 0.19 -0.41 -0.04 0.00 0.10 0.00 0.00 34.13 33.97 2vhn s GLU 11 CO 0.76 0.09 0.06 1.14 0.02 0.00 0.00 175.26 177.33 2vhn s GLN 12 N -0.96 1.05 0.00 1.61 1.03 -1.26 -4.72 119.66 116.41 2vhn s GLN 12 Ca -0.04 -1.52 0.00 0.00 0.04 0.00 0.00 55.36 53.84 2vhn s GLN 12 Cb -0.07 0.10 0.00 0.00 0.03 0.00 0.00 33.01 33.07 2vhn s GLN 12 CO 0.00 -0.26 0.00 0.41 -2.54 0.00 0.00 175.29 172.90 2vhn n GLY 13 N -0.18 0.16 0.00 2.60 0.00 -1.26 -4.68 105.19 101.83 2vhn n GLY 13 Ca -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2vhn n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhn n LYS 14 N 0.72 0.00 0.00 1.61 4.81 -1.26 -2.15 118.16 121.90 2vhn n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2vhn n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2vhn n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vhn n GLY 15 N 0.00 -0.53 0.31 3.14 0.00 -1.26 -0.31 105.19 106.53 2vhn n GLY 15 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 2vhn n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhn h ALA 16 N -0.84 -0.15 -0.98 4.61 0.00 -1.70 -2.16 119.26 118.04 2vhn h ALA 16 Ca 0.00 0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.25 2vhn h ALA 16 Cb 0.00 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 18.21 2vhn h ALA 16 CO 0.00 -0.70 -0.03 0.77 0.00 0.00 0.00 179.25 179.29 2vhn h SER 17 N -0.26 -0.57 -0.19 0.00 0.02 -0.49 0.76 113.55 112.83 2vhn h SER 17 Ca 0.16 0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 61.30 2vhn h SER 17 Cb 0.50 0.51 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 2vhn h SER 17 CO -0.46 -0.34 -0.22 0.03 -1.14 0.00 0.00 176.83 174.69 2vhn h ARG 18 N 0.01 0.49 -0.54 3.45 2.47 -0.11 -1.38 114.38 118.77 2vhn h ARG 18 Ca 0.57 -0.27 0.10 0.00 -1.26 0.00 0.00 59.98 59.11 2vhn h ARG 18 Cb 1.11 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.37 2vhn h ARG 18 CO -0.94 0.85 0.10 0.00 0.56 0.00 0.00 179.97 180.55 2vhn h ARG 19 N 0.15 0.23 -0.43 0.04 3.08 0.82 -1.97 114.38 116.31 2vhn h ARG 19 Ca 0.03 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2vhn h ARG 19 Cb 0.78 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2vhn h ARG 19 CO 0.05 0.15 -0.20 -0.07 -1.07 0.00 0.00 179.97 178.83 2vhn h LEU 20 N 0.24 0.86 -1.79 3.04 3.38 -0.34 -2.60 115.31 118.10 2vhn h LEU 20 Ca 0.28 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2vhn h LEU 20 Cb 0.39 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2vhn h LEU 20 CO -0.36 1.04 -0.15 -0.09 0.09 0.00 0.00 178.44 178.96 2vhn h ARG 21 N 0.74 0.00 0.00 1.13 2.43 -0.63 0.17 114.38 118.22 2vhn h ARG 21 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2vhn h ARG 21 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2vhn h ARG 21 CO 0.06 0.15 -0.03 0.00 -1.51 0.00 0.00 179.97 178.64 2vhn n ALA 22 N -2.31 2.37 -0.46 2.80 0.00 -0.80 -2.26 120.51 119.86 2vhn n ALA 22 Ca -0.02 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2vhn n ALA 22 Cb 0.26 -1.45 0.34 0.00 0.00 0.00 0.00 19.45 18.60 2vhn n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhn n ALA 23 N -1.59 2.61 -1.06 0.00 0.00 -0.46 -4.89 120.51 115.12 2vhn n ALA 23 Ca 0.06 -1.40 -0.02 0.00 0.00 0.00 0.00 53.44 52.08 2vhn n ALA 23 Cb 0.37 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 2vhn n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vhn n ASN 24 N 1.48 -3.58 -3.42 0.00 3.02 -0.96 -4.84 115.26 106.96 2vhn n ASN 24 Ca 0.25 0.05 -0.36 0.00 -0.03 0.00 0.00 54.58 54.50 2vhn n ASN 24 Cb 0.71 -1.27 -0.01 0.00 -0.61 0.00 0.00 39.78 38.60 2vhn n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vhn n LYS 25 N -2.51 4.47 -1.08 3.52 5.02 0.47 0.17 118.16 128.21 2vhn n LYS 25 Ca -0.02 -4.73 -0.35 0.00 -2.02 0.00 0.00 58.31 51.19 2vhn n LYS 25 Cb 0.12 -2.38 0.08 0.00 -0.02 0.00 0.00 35.03 32.83 2vhn n LYS 25 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2vhn n PHE 26 N 0.04 -1.79 -2.52 2.13 1.16 -1.24 -3.72 117.46 111.51 2vhn n PHE 26 Ca 0.39 0.27 -0.14 0.00 -1.87 0.00 0.00 57.45 56.09 2vhn n PHE 26 Cb 0.32 -1.79 0.07 0.00 -1.61 0.00 0.00 39.48 36.47 2vhn n PHE 26 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 2vhn n PRO 27 N -0.39 0.21 -2.28 3.97 -0.04 -1.26 -3.00 135.00 132.20 2vhn n PRO 27 Ca 0.07 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2vhn n PRO 27 Cb 0.52 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 2vhn n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vhn n ALA 28 N -2.91 -0.84 -3.49 0.55 0.00 -0.13 -2.82 120.51 110.87 2vhn n ALA 28 Ca -0.10 -0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 2vhn n ALA 28 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 2vhn n ALA 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2vhn s ILE 29 N -2.21 0.00 -0.14 0.00 -1.16 -1.00 -3.07 121.20 113.62 2vhn s ILE 29 Ca 0.07 -0.04 -0.03 0.00 -0.51 0.00 0.00 60.65 60.15 2vhn s ILE 29 Cb -0.00 -1.05 0.05 0.00 0.61 0.00 0.00 42.46 42.07 2vhn s ILE 29 CO 0.00 0.00 0.04 -0.63 -2.81 0.00 0.00 174.94 171.54 2vhn s ILE 30 N -3.30 0.31 0.12 2.00 1.01 -1.25 -2.06 121.20 118.04 2vhn s ILE 30 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2vhn s ILE 30 Cb -0.01 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2vhn s ILE 30 CO -0.09 -0.05 -0.02 -0.72 0.00 0.00 0.00 174.94 174.06 2vhn s TYR 31 N 1.97 0.92 0.00 3.97 -0.85 -0.53 -3.27 117.35 119.55 2vhn s TYR 31 Ca 0.02 -1.04 0.00 0.00 -0.52 0.00 0.00 57.07 55.53 2vhn s TYR 31 Cb -0.15 -0.54 0.00 0.00 0.38 0.00 0.00 41.96 41.65 2vhn s TYR 31 CO -0.07 -0.28 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 2vhn n GLY 32 N -0.09 0.79 0.00 5.49 0.00 -1.26 -2.44 105.19 107.68 2vhn n GLY 32 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2vhn n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhn n GLY 33 N 0.00 2.83 0.01 -0.02 0.00 -1.26 -4.24 105.19 102.50 2vhn n GLY 33 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.14 2vhn n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhn n LYS 34 N 0.00 0.48 -3.39 1.61 4.81 -1.26 -4.95 118.16 115.47 2vhn n LYS 34 Ca 0.00 -0.13 -0.36 0.00 -0.87 0.00 0.00 58.31 56.95 2vhn n LYS 34 Cb 0.00 -1.35 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 2vhn n LYS 34 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2vhn s GLU 35 N -2.99 3.97 0.00 1.64 -1.05 -1.26 -5.10 118.70 113.91 2vhn s GLU 35 Ca -0.05 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 2vhn s GLU 35 Cb 0.09 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 2vhn s GLU 35 CO 0.60 0.51 0.00 0.00 0.95 0.00 0.00 175.26 177.33 2vhn n ALA 36 N 0.95 0.00 -0.74 -0.84 0.00 -1.26 -4.34 120.51 114.28 2vhn n ALA 36 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 2vhn n ALA 36 Cb 0.52 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.05 2vhn n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2vhn n PRO 37 N 0.00 -0.93 0.00 0.00 -0.02 -1.20 -4.47 135.00 128.37 2vhn n PRO 37 Ca 0.00 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 2vhn n PRO 37 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 2vhn n PRO 37 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2vhn n LEU 38 N 1.14 0.00 -4.71 2.45 7.94 -1.23 -4.81 117.00 117.78 2vhn n LEU 38 Ca 0.01 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.49 2vhn n LEU 38 Cb 0.42 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.34 2vhn n LEU 38 CO 0.27 0.00 1.33 0.00 -1.11 0.00 0.00 177.39 177.89 2vhn s ALA 39 N 0.00 3.83 0.07 1.96 0.00 -1.26 -3.82 121.76 122.54 2vhn s ALA 39 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2vhn s ALA 39 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2vhn s ALA 39 CO 0.00 -0.94 -0.11 0.96 0.00 0.00 0.00 175.76 175.66 2vhn s ILE 40 N 1.60 0.93 0.32 0.00 -0.00 -1.17 -2.01 121.20 120.86 2vhn s ILE 40 Ca 0.74 -1.36 0.10 0.00 -0.00 0.00 0.00 60.65 60.14 2vhn s ILE 40 Cb -0.46 -1.05 -0.06 0.00 -0.00 0.00 0.00 42.46 40.89 2vhn s ILE 40 CO 0.32 -0.36 -0.12 -1.83 -0.00 0.00 0.00 174.94 172.95 2vhn s GLU 41 N -2.02 1.81 0.06 0.37 -1.05 -1.14 -0.96 118.70 115.77 2vhn s GLU 41 Ca -0.02 -1.83 -0.09 0.00 -0.15 0.00 0.00 54.97 52.88 2vhn s GLU 41 Cb -0.08 -1.77 0.00 0.00 -0.44 0.00 0.00 34.13 31.84 2vhn s GLU 41 CO 0.01 0.22 0.20 -0.51 0.95 0.00 0.00 175.26 176.13 2vhn s LEU 42 N -3.59 1.37 0.18 1.83 1.43 -1.16 -4.13 118.68 114.62 2vhn s LEU 42 Ca 0.32 -0.48 -0.32 0.00 -1.03 0.00 0.00 54.13 52.62 2vhn s LEU 42 Cb -0.01 1.01 -0.11 0.00 0.03 0.00 0.00 46.19 47.11 2vhn s LEU 42 CO 0.16 -0.63 1.65 -0.62 0.23 0.00 0.00 176.35 177.14 2vhn s ASP 43 N -2.41 6.48 0.00 2.29 -1.08 -1.26 -3.70 116.67 116.99 2vhn s ASP 43 Ca -0.01 2.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.76 2vhn s ASP 43 Cb 0.01 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2vhn s ASP 43 CO -0.07 -0.90 0.25 1.57 0.52 0.00 0.00 175.17 176.54 2vhn n HIS 44 N 4.04 0.00 0.00 -5.34 -0.00 0.45 -1.94 115.22 112.43 2vhn n HIS 44 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2vhn n HIS 44 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2vhn n HIS 44 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2vhn n ASP 45 N -0.26 0.00 -0.10 0.26 5.68 -1.26 0.65 116.55 121.52 2vhn n ASP 45 Ca 0.00 0.07 -0.20 0.00 -0.50 0.00 0.00 54.79 54.16 2vhn n ASP 45 Cb 0.00 -0.07 -0.11 0.00 -1.14 0.00 0.00 41.12 39.79 2vhn n ASP 45 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2vhn h LYS 46 N 0.00 0.00 0.10 0.11 1.63 -1.93 -3.28 116.57 113.20 2vhn h LYS 46 Ca 0.00 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 2vhn h LYS 46 Cb 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2vhn h LYS 46 CO 0.00 0.97 -1.17 0.28 -3.45 0.00 0.00 179.45 176.07 2vhn h VAL 47 N -1.00 1.45 -0.02 2.00 2.07 -0.16 -2.87 116.25 117.72 2vhn h VAL 47 Ca -0.28 -2.83 0.01 0.00 0.82 0.00 0.00 66.70 64.41 2vhn h VAL 47 Cb 1.23 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2vhn h VAL 47 CO -0.17 0.83 0.03 -0.03 0.02 0.00 0.00 177.57 178.26 2vhn h MET 48 N 0.13 0.00 -0.80 1.57 1.85 0.01 0.30 114.93 117.99 2vhn h MET 48 Ca -0.13 0.00 -0.45 0.00 -0.61 0.00 0.00 59.70 58.51 2vhn h MET 48 Cb 1.87 0.00 -0.25 0.00 0.43 0.00 0.00 31.60 33.65 2vhn h MET 48 CO 0.20 0.00 0.40 0.09 -0.40 0.00 0.00 176.91 177.20 2vhn n ASN 49 N -3.52 4.05 0.00 1.39 3.02 -1.09 -4.19 115.26 114.92 2vhn n ASN 49 Ca -0.02 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 2vhn n ASN 49 Cb 0.11 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 2vhn n ASN 49 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2vhn n MET 50 N -1.09 0.68 0.17 3.52 1.56 0.89 -4.64 117.12 118.22 2vhn n MET 50 Ca 0.52 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 58.05 2vhn n MET 50 Cb 1.29 -0.69 0.56 0.00 2.15 0.00 0.00 33.22 36.53 2vhn n MET 50 CO 0.00 0.00 0.00 -0.56 -0.73 0.00 0.00 175.97 174.68 2vhn h GLN 51 N 0.00 0.00 -0.09 2.12 3.07 -1.28 -2.66 115.11 116.27 2vhn h GLN 51 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.77 2vhn h GLN 51 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.94 2vhn h GLN 51 CO 0.00 0.00 0.11 0.00 0.09 0.00 0.00 178.83 179.03 2vhn h ALA 52 N 1.80 1.62 -2.31 0.06 0.00 -1.82 -3.43 119.26 115.18 2vhn h ALA 52 Ca 0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 2vhn h ALA 52 Cb 0.15 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.97 2vhn h ALA 52 CO 0.00 -0.16 0.10 0.21 0.00 0.00 0.00 179.25 179.40 2vhn s LYS 53 N -4.58 3.60 -0.06 0.00 2.36 -1.00 -5.01 119.74 115.05 2vhn s LYS 53 Ca -0.05 0.25 -0.24 0.00 -2.55 0.00 0.00 55.97 53.38 2vhn s LYS 53 Cb 0.15 -2.40 -0.26 0.00 -1.05 0.00 0.00 37.83 34.27 2vhn s LYS 53 CO 0.53 -0.14 0.95 0.00 1.55 0.00 0.00 175.35 178.23 2vhn h ALA 54 N 0.55 -0.00 0.00 3.13 0.00 -1.91 -3.31 119.26 117.72 2vhn h ALA 54 Ca -0.47 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2vhn h ALA 54 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2vhn h ALA 54 CO 0.62 0.19 0.00 0.39 0.00 0.00 0.00 179.25 180.45 2vhn n GLU 55 N -4.38 0.39 -0.06 0.00 1.02 -1.26 -1.97 120.64 114.37 2vhn n GLU 55 Ca -0.11 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.81 2vhn n GLU 55 Cb 0.61 -1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 30.71 2vhn n GLU 55 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2vhn h PHE 56 N 0.65 0.18 -0.28 -0.32 -0.00 -1.88 -3.24 116.94 112.04 2vhn h PHE 56 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.97 57.84 2vhn h PHE 56 Cb 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.15 2vhn h PHE 56 CO 0.00 1.59 0.00 0.66 -0.00 0.00 0.00 178.31 180.56 2vhn n TYR 57 N -4.11 0.36 -0.01 0.41 4.02 -0.83 -4.47 117.16 112.52 2vhn n TYR 57 Ca -0.32 -0.18 -0.02 0.00 -0.01 0.00 0.00 57.90 57.37 2vhn n TYR 57 Cb 0.81 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.12 2vhn n TYR 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2vhn n SER 58 N 0.92 0.54 -3.56 7.72 2.88 -1.19 -4.86 113.62 116.07 2vhn n SER 58 Ca 0.18 0.09 -0.30 0.00 -1.33 0.00 0.00 58.87 57.50 2vhn n SER 58 Cb 0.47 -0.40 0.27 0.00 -0.75 0.00 0.00 64.21 63.80 2vhn n SER 58 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2vhn s GLU 59 N -1.52 -2.36 0.45 -1.46 2.12 -1.22 -4.99 118.70 109.72 2vhn s GLU 59 Ca -0.06 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.34 2vhn s GLU 59 Cb 0.01 -1.45 0.01 0.00 0.26 0.00 0.00 34.13 32.95 2vhn s GLU 59 CO 0.09 -4.48 0.65 0.14 -0.54 0.00 0.00 175.26 171.12 2vhn s VAL 60 N -2.55 3.55 0.42 3.70 -7.23 -1.26 -4.62 120.40 112.42 2vhn s VAL 60 Ca 0.70 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 60.22 2vhn s VAL 60 Cb -0.12 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 2vhn s VAL 60 CO 0.57 -0.18 0.07 -0.76 -0.31 0.00 0.00 175.10 174.50 2vhn s LEU 61 N -4.52 2.17 0.21 1.32 1.43 -0.55 -4.80 118.68 113.93 2vhn s LEU 61 Ca 0.51 -1.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.02 2vhn s LEU 61 Cb -0.10 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 2vhn s LEU 61 CO 0.36 -0.82 0.04 0.42 0.23 0.00 0.00 176.35 176.57 2vhn s THR 62 N -3.10 0.66 -0.12 5.49 -4.23 -0.67 -2.00 115.64 111.67 2vhn s THR 62 Ca 0.22 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2vhn s THR 62 Cb 0.04 -2.32 0.06 0.00 1.34 0.00 0.00 72.50 71.62 2vhn s THR 62 CO 0.12 -0.29 0.25 -0.63 -0.54 0.00 0.00 174.62 173.52 2vhn s ILE 63 N -3.68 -0.29 -0.32 2.99 1.01 -1.26 -1.67 121.20 117.98 2vhn s ILE 63 Ca 0.29 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 2vhn s ILE 63 Cb 0.07 -0.41 -0.16 0.00 0.01 0.00 0.00 42.46 41.97 2vhn s ILE 63 CO 0.08 0.11 2.68 0.52 0.00 0.00 0.00 174.94 178.32 2vhn n VAL 64 N 5.03 2.44 -1.55 2.92 0.31 0.22 -4.41 118.33 123.27 2vhn n VAL 64 Ca -0.11 -1.30 -0.29 0.00 -0.01 0.00 0.00 64.34 62.63 2vhn n VAL 64 Cb 0.51 -1.98 -0.05 0.00 -0.91 0.00 0.00 33.84 31.41 2vhn n VAL 64 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2vhn n VAL 65 N 2.99 -0.06 0.00 2.52 3.14 -1.25 -3.05 118.33 122.63 2vhn n VAL 65 Ca 0.38 -0.70 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 2vhn n VAL 65 Cb 0.53 -2.51 0.00 0.00 -1.06 0.00 0.00 33.84 30.81 2vhn n VAL 65 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2vhn n ASP 66 N 16.75 0.00 0.00 6.55 -0.08 -0.61 -0.63 116.55 138.53 2vhn n ASP 66 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2vhn n ASP 66 Cb 0.50 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.72 2vhn n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2vhn n GLY 67 N -0.52 0.30 0.00 0.27 0.00 -1.24 -5.11 105.19 98.89 2vhn n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vhn n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2vhn n LYS 68 N 0.00 0.00 -4.28 1.61 2.85 0.19 -5.16 118.16 113.38 2vhn n LYS 68 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 2vhn n LYS 68 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2vhn n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2vhn s GLU 69 N 0.73 2.34 0.13 -1.58 0.41 -1.26 -3.74 118.70 115.72 2vhn s GLU 69 Ca 0.00 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.20 2vhn s GLU 69 Cb 0.00 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 2vhn s GLU 69 CO 0.00 0.38 0.00 0.44 -0.49 0.00 0.00 175.26 175.59 2vhn n ILE 70 N -0.81 0.17 -2.52 -1.63 -0.00 -1.26 -4.93 119.36 108.38 2vhn n ILE 70 Ca -0.07 0.06 -0.04 0.00 -0.00 0.00 0.00 62.75 62.70 2vhn n ILE 70 Cb 0.58 -0.53 -0.03 0.00 -0.00 0.00 0.00 39.64 39.66 2vhn n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2vhn n LYS 71 N -3.02 -4.89 -4.20 6.28 4.76 -1.26 -4.60 118.16 111.23 2vhn n LYS 71 Ca 0.00 3.62 -0.18 0.00 -2.87 0.00 0.00 58.31 58.89 2vhn n LYS 71 Cb 0.00 -4.99 -0.06 0.00 -1.84 0.00 0.00 35.03 28.14 2vhn n LYS 71 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2vhn s VAL 72 N -0.64 0.00 -0.05 -0.18 -7.23 -0.85 0.23 120.40 111.68 2vhn s VAL 72 Ca -0.19 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.14 2vhn s VAL 72 Cb 0.01 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.41 2vhn s VAL 72 CO 0.51 0.00 0.09 -0.75 -0.31 0.00 0.00 175.10 174.63 2vhn s LYS 73 N -3.23 -0.03 -0.34 4.82 2.47 0.15 -1.48 119.74 122.09 2vhn s LYS 73 Ca 0.36 0.39 -0.28 0.00 -1.56 0.00 0.00 55.97 54.89 2vhn s LYS 73 Cb 0.01 -0.39 -0.07 0.00 -1.46 0.00 0.00 37.83 35.93 2vhn s LYS 73 CO 0.25 -0.29 2.31 0.00 0.16 0.00 0.00 175.35 177.78 2vhn n ALA 74 N 5.05 1.35 -0.06 3.13 0.00 -1.26 -2.62 120.51 126.10 2vhn n ALA 74 Ca -0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.82 2vhn n ALA 74 Cb 0.50 -2.99 -0.01 0.00 0.00 0.00 0.00 19.45 16.95 2vhn n ALA 74 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2vhn h GLN 75 N 16.54 0.00 -2.44 0.00 5.75 -1.76 -3.47 115.11 129.73 2vhn h GLN 75 Ca -0.33 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.08 2vhn h GLN 75 Cb 1.26 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.61 2vhn h GLN 75 CO 1.05 0.00 -0.02 0.34 -2.65 0.00 0.00 178.83 177.54 2vhn s ASP 76 N -5.32 -0.48 0.24 -0.69 2.15 -0.93 -4.98 116.67 106.64 2vhn s ASP 76 Ca -0.11 0.59 0.10 0.00 0.43 0.00 0.00 52.55 53.56 2vhn s ASP 76 Cb 0.01 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.18 2vhn s ASP 76 CO 0.16 -0.47 -0.19 0.68 -0.17 0.00 0.00 175.17 175.19 2vhn s VAL 77 N -0.92 2.18 -0.67 1.11 -7.23 -1.26 0.24 120.40 113.85 2vhn s VAL 77 Ca -0.10 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 57.84 2vhn s VAL 77 Cb -0.03 -2.16 0.16 0.00 0.56 0.00 0.00 36.38 34.92 2vhn s VAL 77 CO 0.06 -0.41 0.46 -1.10 -0.31 0.00 0.00 175.10 173.80 2vhn s GLN 78 N -3.37 2.47 0.62 4.82 -0.21 0.79 -4.95 119.66 119.82 2vhn s GLN 78 Ca 0.25 -3.02 -0.18 0.00 0.02 0.00 0.00 55.36 52.43 2vhn s GLN 78 Cb -0.04 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 2vhn s GLN 78 CO 0.11 -1.22 1.22 -0.98 -2.12 0.00 0.00 175.29 172.31 2vhn s ARG 79 N -0.91 2.81 -0.31 2.91 1.70 -1.26 -1.16 118.95 122.73 2vhn s ARG 79 Ca 0.22 1.84 -0.28 0.00 -0.47 0.00 0.00 55.73 57.04 2vhn s ARG 79 Cb -0.13 -1.91 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 2vhn s ARG 79 CO -0.09 -1.34 2.04 -1.58 -1.08 0.00 0.00 175.30 173.25 2vhn s HIS 80 N -1.63 1.45 0.00 5.89 5.65 -1.23 -4.75 115.29 120.67 2vhn s HIS 80 Ca 0.78 0.67 0.00 0.00 0.25 0.00 0.00 55.06 56.76 2vhn s HIS 80 Cb -0.31 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.10 2vhn s HIS 80 CO 0.36 -3.40 0.12 -2.30 -0.65 0.00 0.00 174.74 168.87 2vhn n PRO 81 N 8.66 0.00 -2.65 2.88 -0.02 -1.26 -0.41 135.00 142.20 2vhn n PRO 81 Ca 0.27 0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 2vhn n PRO 81 Cb 0.47 -0.20 -0.00 0.00 -0.02 0.00 0.00 33.50 33.74 2vhn n PRO 81 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2vhn n TYR 82 N -1.48 3.32 -3.52 6.00 -0.00 -1.26 -4.94 117.16 115.27 2vhn n TYR 82 Ca 0.00 -3.09 -0.13 0.00 -0.00 0.00 0.00 57.90 54.68 2vhn n TYR 82 Cb 0.00 -0.84 -0.04 0.00 -0.00 0.00 0.00 39.34 38.46 2vhn n TYR 82 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2vhn s LYS 83 N -3.93 0.88 0.00 -3.48 1.02 0.45 -5.01 119.74 109.67 2vhn s LYS 83 Ca 0.45 0.02 0.11 0.00 0.02 0.00 0.00 55.97 56.56 2vhn s LYS 83 Cb 0.27 0.41 0.47 0.00 -0.52 0.00 0.00 37.83 38.46 2vhn s LYS 83 CO -0.17 -0.31 1.32 -2.30 -0.92 0.00 0.00 175.35 172.96 2vhn n PRO 84 N 0.46 0.03 0.00 -1.68 -0.02 -1.26 -4.17 135.00 128.35 2vhn n PRO 84 Ca -0.14 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2vhn n PRO 84 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2vhn n PRO 84 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2vhn n LYS 85 N -1.46 1.00 -4.07 -0.52 5.02 -1.26 -4.88 118.16 111.99 2vhn n LYS 85 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 2vhn n LYS 85 Cb 0.12 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.08 2vhn n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vhn s LEU 86 N 0.00 0.81 0.00 -0.35 1.02 -1.26 -3.49 118.68 115.41 2vhn s LEU 86 Ca 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 54.13 52.85 2vhn s LEU 86 Cb 0.00 1.44 0.00 0.00 0.02 0.00 0.00 46.19 47.65 2vhn s LEU 86 CO 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 176.35 175.17 2vhn n GLN 87 N -0.47 0.23 -2.00 1.70 3.00 -0.31 -4.46 117.38 115.07 2vhn n GLN 87 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.60 2vhn n GLN 87 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.87 2vhn n GLN 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2vhn s HIS 88 N 2.43 2.68 -0.14 1.08 5.65 -1.25 -4.32 115.29 121.43 2vhn s HIS 88 Ca 0.00 1.40 0.01 0.00 0.25 0.00 0.00 55.06 56.72 2vhn s HIS 88 Cb 0.00 -3.69 0.02 0.00 -1.18 0.00 0.00 32.58 27.73 2vhn s HIS 88 CO 0.00 -2.28 -0.15 0.42 -0.65 0.00 0.00 174.74 172.08 2vhn s ILE 89 N -1.30 1.57 0.05 0.89 1.01 -1.13 -0.15 121.20 122.14 2vhn s ILE 89 Ca 0.61 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 2vhn s ILE 89 Cb -0.38 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2vhn s ILE 89 CO 0.48 0.46 0.96 -1.81 0.00 0.00 0.00 174.94 175.03 2vhn s ASP 90 N 1.31 7.42 -0.23 3.58 1.11 0.67 -2.37 116.67 128.16 2vhn s ASP 90 Ca 0.01 1.70 -0.01 0.00 0.18 0.00 0.00 52.55 54.44 2vhn s ASP 90 Cb -0.14 -2.57 0.06 0.00 1.07 0.00 0.00 42.92 41.35 2vhn s ASP 90 CO -0.08 -0.17 -0.00 -0.36 1.18 0.00 0.00 175.17 175.74 2vhn s PHE 91 N 0.55 1.79 0.36 4.23 0.40 -0.88 -2.14 117.98 122.29 2vhn s PHE 91 Ca 0.49 -1.40 -0.21 0.00 -0.60 0.00 0.00 56.93 55.22 2vhn s PHE 91 Cb -0.22 -1.38 -0.10 0.00 0.51 0.00 0.00 43.02 41.83 2vhn s PHE 91 CO 0.29 -0.72 0.88 0.54 0.70 0.00 0.00 175.22 176.91 2vhn s VAL 92 N 1.60 4.42 0.47 -0.44 0.11 -1.08 -1.46 120.40 124.03 2vhn s VAL 92 Ca -0.02 1.44 -0.03 0.00 -2.93 0.00 0.00 61.98 60.43 2vhn s VAL 92 Cb -0.18 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2vhn s VAL 92 CO -0.09 -0.13 0.74 -0.60 -3.33 0.00 0.00 175.10 171.70 2vhn s ARG 93 N -2.74 3.32 0.00 1.54 3.52 -1.02 0.32 118.95 123.89 2vhn s ARG 93 Ca 0.56 -0.07 0.31 0.00 -0.13 0.00 0.00 55.73 56.39 2vhn s ARG 93 Cb -0.12 -2.45 1.66 0.00 -1.56 0.00 0.00 34.95 32.49 2vhn s ARG 93 CO 0.17 -0.24 2.09 0.00 -0.81 0.00 0.00 175.30 176.51