#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhn s GLN 2 N 0.00 0.31 0.00 3.17 -2.07 -1.26 -3.08 119.66 116.73 2vhn s GLN 2 Ca 0.00 0.61 -0.23 0.00 -1.82 0.00 0.00 55.36 53.93 2vhn s GLN 2 Cb 0.00 -0.03 0.05 0.00 -1.09 0.00 0.00 33.01 31.94 2vhn s GLN 2 CO 0.00 -0.14 0.50 0.14 -1.32 0.00 0.00 175.29 174.47 2vhn s VAL 3 N 1.13 0.03 0.06 3.63 -7.23 -1.26 -4.58 120.40 112.18 2vhn s VAL 3 Ca -0.08 -0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 2vhn s VAL 3 Cb -0.08 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 2vhn s VAL 3 CO -0.09 -0.14 0.88 0.27 -0.31 0.00 0.00 175.10 175.71 2vhn s ILE 4 N -1.83 4.67 0.81 -0.62 -0.00 -1.26 -4.05 121.20 118.92 2vhn s ILE 4 Ca -0.09 1.87 -0.12 0.00 -0.00 0.00 0.00 60.65 62.31 2vhn s ILE 4 Cb -0.02 -4.23 0.08 0.00 -0.00 0.00 0.00 42.46 38.29 2vhn s ILE 4 CO 0.03 0.31 1.14 -0.76 -0.00 0.00 0.00 174.94 175.66 2vhn s LEU 5 N 0.17 2.48 0.00 0.37 2.01 -1.23 -4.47 118.68 118.01 2vhn s LEU 5 Ca 0.44 0.98 0.00 0.00 0.01 0.00 0.00 54.13 55.56 2vhn s LEU 5 Cb -0.22 -3.51 0.00 0.00 0.01 0.00 0.00 46.19 42.47 2vhn s LEU 5 CO 0.26 -1.95 0.00 0.18 1.01 0.00 0.00 176.35 175.85 2vhn n LEU 6 N -3.38 0.00 0.00 1.79 4.77 -1.26 -2.70 117.00 116.22 2vhn n LEU 6 Ca 0.07 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2vhn n LEU 6 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2vhn n LEU 6 CO 0.57 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.10 2vhn n ASP 7 N -0.96 0.00 -4.99 -1.43 9.92 -1.26 -4.66 116.55 113.17 2vhn n ASP 7 Ca 0.00 -0.08 -0.18 0.00 -0.53 0.00 0.00 54.79 53.99 2vhn n ASP 7 Cb 0.00 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 2vhn n ASP 7 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2vhn s LYS 8 N 0.76 2.65 0.00 -1.24 2.47 -1.25 -4.25 119.74 118.88 2vhn s LYS 8 Ca 0.00 -1.40 0.00 0.00 -1.56 0.00 0.00 55.97 53.01 2vhn s LYS 8 Cb 0.00 -2.66 0.00 0.00 -1.46 0.00 0.00 37.83 33.71 2vhn s LYS 8 CO 0.00 -0.40 0.00 1.33 0.16 0.00 0.00 175.35 176.44 2vhn n VAL 9 N -1.89 0.00 0.00 4.02 0.24 -1.26 -5.02 118.33 114.42 2vhn n VAL 9 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 2vhn n VAL 9 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2vhn n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vhn n ALA 10 N -0.44 1.12 -4.40 2.33 0.00 -1.26 -4.38 120.51 113.48 2vhn n ALA 10 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2vhn n ALA 10 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 2vhn n ALA 10 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2vhn n ASN 11 N 1.42 2.78 -0.66 0.00 6.94 -1.26 -5.00 115.26 119.48 2vhn n ASN 11 Ca 0.00 -2.31 -0.00 0.00 -0.02 0.00 0.00 54.58 52.25 2vhn n ASN 11 Cb 0.00 0.19 0.01 0.00 -2.36 0.00 0.00 39.78 37.62 2vhn n ASN 11 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2vhn n LEU 12 N 0.00 1.63 -4.56 -4.53 0.00 -1.26 -4.74 117.00 103.54 2vhn n LEU 12 Ca -0.12 -0.82 -0.42 0.00 0.00 0.00 0.00 56.01 54.65 2vhn n LEU 12 Cb 0.38 -0.51 -0.01 0.00 0.00 0.00 0.00 43.42 43.28 2vhn n LEU 12 CO 0.21 0.32 1.69 -0.83 0.00 0.00 0.00 177.39 178.78 2vhn s GLY 13 N 0.22 1.53 0.00 -3.96 0.00 -1.26 -4.96 107.32 98.89 2vhn s GLY 13 Ca 0.02 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 42.08 2vhn s GLY 13 CO 0.00 2.65 0.00 1.44 0.00 0.00 0.00 173.10 177.19 2vhn n SER 14 N 8.39 0.00 -4.37 1.64 7.64 -1.26 -3.97 113.62 121.70 2vhn n SER 14 Ca 0.40 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.83 2vhn n SER 14 Cb 0.48 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2vhn n SER 14 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2vhn s LEU 15 N 0.00 6.11 0.00 -3.43 1.98 -1.26 -3.78 118.68 118.30 2vhn s LEU 15 Ca 0.00 -3.25 0.00 0.00 -2.89 0.00 0.00 54.13 47.99 2vhn s LEU 15 Cb 0.00 -2.26 0.00 0.00 0.66 0.00 0.00 46.19 44.59 2vhn s LEU 15 CO 0.00 -0.46 0.00 0.61 -1.89 0.00 0.00 176.35 174.61 2vhn n GLY 16 N 3.33 -2.13 3.15 7.98 0.00 -1.10 -4.92 105.19 111.50 2vhn n GLY 16 Ca 0.25 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.51 2vhn n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vhn s ASP 17 N 0.00 -0.64 -0.78 1.61 2.15 -1.26 -4.79 116.67 112.96 2vhn s ASP 17 Ca 0.00 0.30 -0.22 0.00 0.43 0.00 0.00 52.55 53.06 2vhn s ASP 17 Cb 0.00 1.50 0.08 0.00 -0.30 0.00 0.00 42.92 44.20 2vhn s ASP 17 CO 0.00 -0.12 1.08 0.00 -0.17 0.00 0.00 175.17 175.97 2vhn s GLN 18 N 2.93 3.31 0.00 4.34 -2.07 -1.26 -3.53 119.66 123.39 2vhn s GLN 18 Ca 0.09 -1.10 0.00 0.00 -1.82 0.00 0.00 55.36 52.53 2vhn s GLN 18 Cb -0.09 -4.55 0.00 0.00 -1.09 0.00 0.00 33.01 27.28 2vhn s GLN 18 CO -0.16 -1.87 0.00 1.55 -1.32 0.00 0.00 175.29 173.49 2vhn n VAL 19 N 5.93 0.00 -0.45 3.63 3.14 -1.26 -4.87 118.33 124.46 2vhn n VAL 19 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 2vhn n VAL 19 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 2vhn n VAL 19 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2vhn n ASN 20 N 0.00 0.00 -4.72 6.55 2.85 -1.26 -4.75 115.26 113.93 2vhn n ASN 20 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 2vhn n ASN 20 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 2vhn n ASN 20 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2vhn s VAL 21 N -3.35 4.77 -0.00 3.44 0.11 -1.18 -4.97 120.40 119.22 2vhn s VAL 21 Ca 0.00 1.92 -0.14 0.00 -2.93 0.00 0.00 61.98 60.83 2vhn s VAL 21 Cb 0.00 -4.26 -0.06 0.00 -1.53 0.00 0.00 36.38 30.54 2vhn s VAL 21 CO 0.00 0.25 0.39 -0.54 -3.33 0.00 0.00 175.10 171.87 2vhn s LYS 22 N 0.54 3.88 0.34 1.54 -0.14 -1.26 -2.68 119.74 121.96 2vhn s LYS 22 Ca 0.47 0.37 -0.05 0.00 -1.36 0.00 0.00 55.97 55.39 2vhn s LYS 22 Cb -0.21 -3.20 0.08 0.00 -1.68 0.00 0.00 37.83 32.81 2vhn s LYS 22 CO 0.27 0.69 0.18 0.00 -0.76 0.00 0.00 175.35 175.72 2vhn n ALA 23 N 1.76 -1.07 -4.21 5.17 0.00 -1.26 -3.81 120.51 117.10 2vhn n ALA 23 Ca -0.14 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 2vhn n ALA 23 Cb 0.52 -0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 2vhn n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vhn n GLY 24 N -0.93 -0.35 2.48 0.00 0.00 -1.26 -4.51 105.19 100.61 2vhn n GLY 24 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2vhn n GLY 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2vhn n TYR 25 N -4.71 0.00 0.00 1.61 0.18 -1.25 -4.67 117.16 108.32 2vhn n TYR 25 Ca -0.26 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.52 2vhn n TYR 25 Cb 0.66 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 39.25 2vhn n TYR 25 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2vhn n ALA 26 N 2.80 0.00 -1.82 -3.48 0.00 -1.26 -3.94 120.51 112.80 2vhn n ALA 26 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2vhn n ALA 26 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2vhn n ALA 26 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2vhn n ARG 27 N 0.00 -1.24 0.00 0.00 1.85 -1.26 -4.79 116.66 111.23 2vhn n ARG 27 Ca 0.00 0.98 0.00 0.00 -1.00 0.00 0.00 57.85 57.83 2vhn n ARG 27 Cb 0.00 -5.28 0.00 0.00 -1.05 0.00 0.00 32.46 26.13 2vhn n ARG 27 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2vhn n ASN 28 N -0.91 0.00 0.00 2.89 6.94 -1.26 -4.90 115.26 118.01 2vhn n ASN 28 Ca -0.18 -1.00 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 2vhn n ASN 28 Cb 0.59 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 2vhn n ASN 28 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2vhn n PHE 29 N 0.00 -0.20 0.17 -2.53 7.35 -1.26 -4.80 117.46 116.18 2vhn n PHE 29 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2vhn n PHE 29 Cb 0.34 0.04 0.23 0.00 0.35 0.00 0.00 39.48 40.45 2vhn n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2vhn n LEU 30 N -1.35 0.22 -0.36 -2.13 4.77 -1.26 -2.29 117.00 114.61 2vhn n LEU 30 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2vhn n LEU 30 Cb 0.00 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2vhn n LEU 30 CO 0.00 -0.52 0.24 1.33 -1.33 0.00 0.00 177.39 177.11 2vhn n VAL 31 N -1.95 0.00 0.00 4.08 0.24 -1.25 -4.39 118.33 115.06 2vhn n VAL 31 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2vhn n VAL 31 Cb 0.48 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 2vhn n VAL 31 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2vhn n PRO 32 N 0.00 0.00 -0.72 7.34 -0.05 -1.04 -4.56 135.00 135.97 2vhn n PRO 32 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 63.50 63.39 2vhn n PRO 32 Cb 0.62 -0.41 -0.04 0.00 -0.05 0.00 0.00 33.50 33.62 2vhn n PRO 32 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 2vhn n GLN 33 N -2.02 1.41 0.00 0.54 1.13 -0.97 -4.72 117.38 112.75 2vhn n GLN 33 Ca 0.00 -0.55 0.00 0.00 -1.94 0.00 0.00 57.00 54.51 2vhn n GLN 33 Cb 0.09 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2vhn n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vhn n GLY 34 N 1.58 -0.48 0.00 1.08 0.00 -1.25 -4.87 105.19 101.24 2vhn n GLY 34 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2vhn n GLY 34 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2vhn n LYS 35 N 0.00 2.06 -3.96 1.61 -0.00 -1.26 -4.97 118.16 111.64 2vhn n LYS 35 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2vhn n LYS 35 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 2vhn n LYS 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2vhn s ALA 36 N -2.47 -2.31 0.00 0.58 0.00 -1.26 -3.90 121.76 112.40 2vhn s ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2vhn s ALA 36 Cb 0.00 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2vhn s ALA 36 CO 0.00 -1.13 0.00 0.28 0.00 0.00 0.00 175.76 174.91 2vhn n VAL 37 N -0.85 0.00 -0.27 0.00 0.31 -1.26 -4.57 118.33 111.69 2vhn n VAL 37 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2vhn n VAL 37 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 2vhn n VAL 37 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2vhn n PRO 38 N -0.56 0.00 0.00 5.55 -0.02 -1.26 -4.94 135.00 133.77 2vhn n PRO 38 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2vhn n PRO 38 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 2vhn n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vhn n ALA 39 N 0.23 0.00 -0.54 3.55 0.00 -1.26 -4.65 120.51 117.84 2vhn n ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vhn n ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vhn n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2vhn n THR 40 N 0.00 0.00 -0.03 0.00 -2.24 -1.26 -3.53 114.28 107.22 2vhn n THR 40 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2vhn n THR 40 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2vhn n THR 40 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2vhn h LYS 41 N 0.00 0.00 0.00 -0.78 2.10 -1.99 -3.38 116.57 112.52 2vhn h LYS 41 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2vhn h LYS 41 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2vhn h LYS 41 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 2vhn n LYS 42 N -3.54 0.03 -0.19 0.07 5.02 -1.26 -1.03 118.16 117.26 2vhn n LYS 42 Ca -0.01 0.23 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 2vhn n LYS 42 Cb 0.02 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.71 2vhn n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2vhn n ASN 43 N -1.24 3.09 -0.08 4.39 3.02 -1.23 -4.03 115.26 119.19 2vhn n ASN 43 Ca 0.01 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 2vhn n ASN 43 Cb 0.01 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2vhn n ASN 43 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2vhn n ILE 44 N 0.95 0.16 0.02 2.41 -5.35 -0.19 -4.71 119.36 112.65 2vhn n ILE 44 Ca 0.15 -0.17 -0.11 0.00 -0.27 0.00 0.00 62.75 62.34 2vhn n ILE 44 Cb 0.48 0.83 -0.08 0.00 -1.74 0.00 0.00 39.64 39.13 2vhn n ILE 44 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2vhn h GLU 45 N 0.00 -0.14 0.00 6.28 4.81 -1.53 -2.14 114.58 121.86 2vhn h GLU 45 Ca 0.00 0.01 -0.36 0.00 -0.13 0.00 0.00 59.36 58.88 2vhn h GLU 45 Cb 1.00 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.35 2vhn h GLU 45 CO 0.00 0.37 -2.28 0.34 -0.73 0.00 0.00 179.01 176.70 2vhn n PHE 46 N -4.86 0.17 -0.05 0.92 7.35 -1.26 -3.73 117.46 116.00 2vhn n PHE 46 Ca -0.08 0.06 -0.14 0.00 -0.76 0.00 0.00 57.45 56.53 2vhn n PHE 46 Cb 0.28 -1.03 -0.09 0.00 0.35 0.00 0.00 39.48 38.99 2vhn n PHE 46 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2vhn h PHE 47 N 0.00 -1.60 0.00 -5.13 3.57 -1.84 0.25 116.94 112.19 2vhn h PHE 47 Ca -0.51 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2vhn h PHE 47 Cb 2.19 0.73 0.00 0.00 2.79 0.00 0.00 35.95 41.66 2vhn h PHE 47 CO 0.00 -0.52 0.00 -1.91 -2.23 0.00 0.00 178.31 173.65 2vhn n GLU 48 N -5.42 0.68 -0.06 1.11 4.07 -0.80 -1.38 120.64 118.83 2vhn n GLU 48 Ca -0.05 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.13 2vhn n GLU 48 Cb 0.37 -1.37 0.33 0.00 -0.06 0.00 0.00 31.44 30.71 2vhn n GLU 48 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2vhn n ALA 49 N -0.87 2.53 -0.06 4.31 0.00 0.88 -3.85 120.51 123.45 2vhn n ALA 49 Ca 0.12 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 2vhn n ALA 49 Cb 0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 2vhn n ALA 49 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2vhn h ARG 50 N 1.20 0.00 0.00 0.00 0.11 -1.17 -3.36 114.38 111.16 2vhn h ARG 50 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2vhn h ARG 50 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 2vhn h ARG 50 CO 0.00 0.02 0.00 -2.13 0.10 0.00 0.00 179.97 177.96 2vhn n ARG 51 N -4.71 0.00 -0.03 0.08 0.63 -1.25 0.04 116.66 111.42 2vhn n ARG 51 Ca -0.03 0.23 -0.07 0.00 -0.92 0.00 0.00 57.85 57.05 2vhn n ARG 51 Cb 0.11 -0.35 0.10 0.00 0.45 0.00 0.00 32.46 32.78 2vhn n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vhn h ALA 52 N -0.28 0.86 0.00 5.13 0.00 -1.83 0.13 119.26 123.27 2vhn h ALA 52 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2vhn h ALA 52 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2vhn h ALA 52 CO 0.00 0.64 0.00 -1.91 0.00 0.00 0.00 179.25 177.98 2vhn n GLU 53 N -4.05 0.14 -0.00 0.00 0.00 0.92 -0.28 120.64 117.37 2vhn n GLU 53 Ca -0.01 0.14 0.04 0.00 0.00 0.00 0.00 57.16 57.33 2vhn n GLU 53 Cb 0.49 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.37 2vhn n GLU 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2vhn n LEU 54 N -1.39 0.19 -0.05 4.31 4.77 0.11 -3.11 117.00 121.82 2vhn n LEU 54 Ca 0.07 -0.24 0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2vhn n LEU 54 Cb 0.19 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.68 2vhn n LEU 54 CO 0.16 0.05 0.66 1.21 -1.33 0.00 0.00 177.39 178.14 2vhn n GLU 55 N -1.51 0.23 0.00 3.23 2.13 0.41 -3.17 120.64 121.96 2vhn n GLU 55 Ca -0.00 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.71 2vhn n GLU 55 Cb 0.18 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.39 2vhn n GLU 55 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2vhn n ALA 56 N -1.30 0.00 -0.10 4.31 0.00 0.62 -4.66 120.51 119.38 2vhn n ALA 56 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2vhn n ALA 56 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 2vhn n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vhn n LYS 57 N -1.38 -0.10 -0.48 0.00 5.02 -1.18 -0.29 118.16 119.75 2vhn n LYS 57 Ca 0.00 0.43 -0.07 0.00 -2.02 0.00 0.00 58.31 56.64 2vhn n LYS 57 Cb 0.00 -0.63 -0.07 0.00 -0.02 0.00 0.00 35.03 34.31 2vhn n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2vhn n LEU 58 N -3.83 2.64 -0.98 -0.35 7.99 -1.19 -1.65 117.00 119.63 2vhn n LEU 58 Ca 0.00 -1.85 -0.07 0.00 -0.01 0.00 0.00 56.01 54.09 2vhn n LEU 58 Cb 0.06 -0.70 -0.07 0.00 -0.11 0.00 0.00 43.42 42.60 2vhn n LEU 58 CO -0.04 0.46 0.34 0.00 -1.51 0.00 0.00 177.39 176.65 2vhn n ALA 59 N 3.03 3.59 0.05 -1.18 0.00 0.60 -4.81 120.51 121.78 2vhn n ALA 59 Ca 0.22 -0.66 0.01 0.00 0.00 0.00 0.00 53.44 53.00 2vhn n ALA 59 Cb 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 19.45 19.49 2vhn n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2vhn n GLU 60 N 0.00 4.99 0.03 0.00 -0.58 -0.66 -3.08 120.64 121.34 2vhn n GLU 60 Ca -0.27 -0.13 0.10 0.00 -0.42 0.00 0.00 57.16 56.45 2vhn n GLU 60 Cb 0.68 -0.65 -0.11 0.00 -0.57 0.00 0.00 31.44 30.79 2vhn n GLU 60 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2vhn n VAL 61 N -0.78 0.28 -1.26 2.62 0.24 -1.26 -1.58 118.33 116.59 2vhn n VAL 61 Ca 0.00 -0.53 -0.27 0.00 -2.04 0.00 0.00 64.34 61.50 2vhn n VAL 61 Cb 0.02 -0.14 0.15 0.00 -1.47 0.00 0.00 33.84 32.39 2vhn n VAL 61 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vhn n LEU 62 N -2.43 7.04 0.00 1.34 4.77 -1.26 -2.84 117.00 123.63 2vhn n LEU 62 Ca -0.04 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.13 2vhn n LEU 62 Cb 0.59 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2vhn n LEU 62 CO 0.44 1.18 0.00 0.00 -1.33 0.00 0.00 177.39 177.68 2vhn n ALA 63 N -1.07 0.21 0.21 -1.18 0.00 -1.18 -4.74 120.51 112.76 2vhn n ALA 63 Ca 0.61 0.00 0.12 0.00 0.00 0.00 0.00 53.44 54.16 2vhn n ALA 63 Cb 1.36 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.88 2vhn n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhn h ALA 64 N 0.00 0.63 0.00 0.00 0.00 -1.47 -3.34 119.26 115.08 2vhn h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2vhn h ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2vhn h ALA 64 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.24 2vhn n ALA 65 N -2.10 1.65 -0.00 0.00 0.00 -1.13 -4.67 120.51 114.25 2vhn n ALA 65 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 53.44 52.57 2vhn n ALA 65 Cb 0.53 -0.03 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 2vhn n ALA 65 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2vhn h ASN 66 N 0.00 0.00 -0.26 0.00 -1.24 -1.65 -3.37 115.58 109.07 2vhn h ASN 66 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2vhn h ASN 66 Cb 0.72 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.77 2vhn h ASN 66 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 2vhn n ALA 67 N -2.19 2.61 -0.44 1.57 0.00 -1.26 -3.81 120.51 116.98 2vhn n ALA 67 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.81 2vhn n ALA 67 Cb 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 18.63 2vhn n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2vhn n ARG 68 N 0.28 2.47 0.17 0.00 0.00 -1.26 -3.91 116.66 114.41 2vhn n ARG 68 Ca 0.09 -2.08 0.08 0.00 -0.00 0.00 0.00 57.85 55.94 2vhn n ARG 68 Cb 0.33 -1.88 0.09 0.00 0.00 0.00 0.00 32.46 31.01 2vhn n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2vhn h ALA 69 N 2.02 0.83 0.00 5.13 0.00 -1.76 -3.29 119.26 122.18 2vhn h ALA 69 Ca 0.29 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2vhn h ALA 69 Cb 2.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2vhn h ALA 69 CO 0.61 0.24 -0.95 1.05 0.00 0.00 0.00 179.25 180.21 2vhn h GLU 70 N 0.00 0.00 0.00 0.00 -0.00 -1.92 1.27 114.58 113.93 2vhn h GLU 70 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2vhn h GLU 70 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 2vhn h GLU 70 CO 0.02 0.91 0.04 1.63 -0.00 0.00 0.00 179.01 181.62 2vhn n LYS 71 N -3.32 0.00 0.04 1.06 5.02 -1.24 -2.09 118.16 117.63 2vhn n LYS 71 Ca -0.00 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2vhn n LYS 71 Cb 0.91 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2vhn n LYS 71 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2vhn n ILE 72 N -1.33 0.48 0.10 -0.18 5.41 -1.09 -4.89 119.36 117.85 2vhn n ILE 72 Ca 0.00 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.78 2vhn n ILE 72 Cb 0.04 -1.01 -0.08 0.00 -0.71 0.00 0.00 39.64 37.89 2vhn n ILE 72 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2vhn h ASN 73 N 0.00 -1.26 -0.46 4.38 2.35 0.16 -3.25 115.58 117.50 2vhn h ASN 73 Ca 0.00 0.13 0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2vhn h ASN 73 Cb 0.00 0.46 -0.07 0.00 0.05 0.00 0.00 38.32 38.76 2vhn h ASN 73 CO 0.00 -0.45 -0.20 0.00 -1.65 0.00 0.00 177.43 175.12 2vhn n ALA 74 N -2.82 -0.12 -1.55 -0.83 0.00 -0.89 -3.34 120.51 110.96 2vhn n ALA 74 Ca -0.07 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.63 2vhn n ALA 74 Cb 0.33 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 2vhn n ALA 74 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2vhn n LEU 75 N -4.65 1.48 0.00 0.00 -0.00 -1.23 -4.80 117.00 107.81 2vhn n LEU 75 Ca 0.04 -1.24 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 2vhn n LEU 75 Cb 0.17 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.07 2vhn n LEU 75 CO -0.07 -2.35 0.00 -0.62 -0.00 0.00 0.00 177.39 174.36 2vhn n GLU 76 N 8.46 0.00 -3.71 1.47 1.02 -1.21 -4.45 120.64 122.22 2vhn n GLU 76 Ca 0.48 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.51 2vhn n GLU 76 Cb 0.40 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.76 2vhn n GLU 76 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2vhn s THR 77 N -3.25 0.07 0.00 2.62 -4.23 -1.26 -4.72 115.64 104.88 2vhn s THR 77 Ca 0.00 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2vhn s THR 77 Cb 0.00 -0.99 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2vhn s THR 77 CO 0.00 -0.34 0.00 0.52 -0.54 0.00 0.00 174.62 174.26 2vhn n VAL 78 N 0.43 0.00 -3.58 2.29 0.31 -1.18 -5.00 118.33 111.59 2vhn n VAL 78 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 2vhn n VAL 78 Cb 0.60 -1.16 -0.06 0.00 -0.91 0.00 0.00 33.84 32.31 2vhn n VAL 78 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2vhn s THR 79 N 1.50 0.00 -0.20 2.52 2.01 -1.26 -3.28 115.64 116.94 2vhn s THR 79 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 2vhn s THR 79 Cb 0.00 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.61 2vhn s THR 79 CO 0.00 0.00 0.85 0.27 -0.69 0.00 0.00 174.62 175.05 2vhn s ILE 80 N -0.63 0.00 0.10 1.82 -5.25 -1.25 -5.00 121.20 111.00 2vhn s ILE 80 Ca -0.03 0.00 0.10 0.00 -0.99 0.00 0.00 60.65 59.73 2vhn s ILE 80 Cb -0.02 -1.00 -0.04 0.00 2.95 0.00 0.00 42.46 44.35 2vhn s ILE 80 CO 0.02 0.00 -0.25 0.00 -1.79 0.00 0.00 174.94 172.92 2vhn s ALA 81 N -0.34 2.19 0.00 2.27 0.00 -1.26 -3.20 121.76 121.43 2vhn s ALA 81 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2vhn s ALA 81 Cb -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2vhn s ALA 81 CO 0.01 0.49 0.00 0.43 0.00 0.00 0.00 175.76 176.69 2vhn n SER 82 N 1.15 0.00 -4.08 0.00 7.64 -1.15 -4.42 113.62 112.76 2vhn n SER 82 Ca -0.18 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.59 2vhn n SER 82 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 2vhn n SER 82 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2vhn s LYS 83 N 1.11 1.36 0.00 1.43 3.01 -1.26 -0.74 119.74 124.65 2vhn s LYS 83 Ca 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 55.97 53.46 2vhn s LYS 83 Cb 0.00 0.35 0.00 0.00 -1.01 0.00 0.00 37.83 37.17 2vhn s LYS 83 CO 0.00 -0.50 0.00 0.00 0.51 0.00 0.00 175.35 175.36 2vhn n ALA 84 N -0.33 0.00 0.00 5.17 0.00 -1.26 -4.22 120.51 119.88 2vhn n ALA 84 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2vhn n ALA 84 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2vhn n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vhn n GLY 85 N 1.20 2.86 0.00 0.00 0.00 -1.26 -4.60 105.19 103.39 2vhn n GLY 85 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2vhn n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2vhn n ASP 86 N 0.85 0.00 0.30 1.61 9.92 -1.26 -4.79 116.55 123.18 2vhn n ASP 86 Ca 0.00 0.00 0.17 0.00 -0.53 0.00 0.00 54.79 54.43 2vhn n ASP 86 Cb 0.00 0.00 0.94 0.00 -0.64 0.00 0.00 41.12 41.42 2vhn n ASP 86 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2vhn h GLU 87 N 0.00 0.00 0.00 -1.24 5.08 -2.05 -3.43 114.58 112.94 2vhn h GLU 87 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vhn h GLU 87 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2vhn h GLU 87 CO 0.00 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 2vhn n GLY 88 N -1.00 -0.33 3.46 -3.84 0.00 -1.26 -4.94 105.19 97.27 2vhn n GLY 88 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2vhn n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vhn n LYS 89 N 0.00 0.45 -4.01 1.61 4.01 -1.26 -2.38 118.16 116.58 2vhn n LYS 89 Ca 0.00 0.18 -0.36 0.00 -0.51 0.00 0.00 58.31 57.62 2vhn n LYS 89 Cb 0.00 -1.72 -0.07 0.00 -0.51 0.00 0.00 35.03 32.74 2vhn n LYS 89 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2vhn s LEU 90 N 0.64 4.16 0.20 -0.35 2.96 -0.66 -4.27 118.68 121.36 2vhn s LEU 90 Ca 0.67 0.36 0.13 0.00 -0.22 0.00 0.00 54.13 55.07 2vhn s LEU 90 Cb -0.42 -2.08 0.70 0.00 0.50 0.00 0.00 46.19 44.89 2vhn s LEU 90 CO 0.56 0.38 1.39 0.49 -1.32 0.00 0.00 176.35 177.84 2vhn n PHE 91 N 1.85 0.44 -2.18 5.38 3.01 -1.26 -4.80 117.46 119.90 2vhn n PHE 91 Ca -0.18 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2vhn n PHE 91 Cb 0.54 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 2vhn n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vhn n GLY 92 N -1.37 3.82 2.70 1.37 0.00 -1.26 -5.12 105.19 105.33 2vhn n GLY 92 Ca -0.01 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 2vhn n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2vhn s SER 93 N 1.66 1.40 -0.03 1.61 0.15 -1.26 -4.78 113.70 112.45 2vhn s SER 93 Ca 0.00 -0.03 0.07 0.00 0.70 0.00 0.00 55.95 56.68 2vhn s SER 93 Cb 0.00 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.02 2vhn s SER 93 CO 0.00 -0.24 -0.22 -0.63 1.20 0.00 0.00 173.24 173.35 2vhn s ILE 94 N 2.09 2.40 0.00 6.45 1.09 -1.24 -4.99 121.20 127.00 2vhn s ILE 94 Ca 0.05 -1.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.60 2vhn s ILE 94 Cb -0.12 -1.88 0.00 0.00 -1.06 0.00 0.00 42.46 39.40 2vhn s ILE 94 CO -0.04 0.57 0.00 0.61 -0.10 0.00 0.00 174.94 175.98 2vhn n GLY 95 N 2.35 -2.37 0.00 6.18 0.00 -1.26 -4.02 105.19 106.06 2vhn n GLY 95 Ca -0.16 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2vhn n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2vhn n THR 96 N -0.55 0.00 0.29 2.61 5.66 -1.26 -0.86 114.28 120.17 2vhn n THR 96 Ca 0.00 0.50 0.10 0.00 -3.05 0.00 0.00 64.05 61.60 2vhn n THR 96 Cb 0.00 -1.24 0.49 0.00 -1.55 0.00 0.00 70.33 68.03 2vhn n THR 96 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2vhn n ARG 97 N 0.00 0.15 -0.04 1.09 1.85 -1.26 -1.08 116.66 117.37 2vhn n ARG 97 Ca 0.00 0.50 -0.03 0.00 -1.00 0.00 0.00 57.85 57.32 2vhn n ARG 97 Cb 0.00 -1.86 -0.07 0.00 -1.05 0.00 0.00 32.46 29.48 2vhn n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2vhn n ASP 98 N -2.15 2.80 -1.03 2.89 10.43 -1.23 -3.32 116.55 124.93 2vhn n ASP 98 Ca 0.01 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.46 2vhn n ASP 98 Cb 0.13 0.80 0.25 0.00 1.84 0.00 0.00 41.12 44.15 2vhn n ASP 98 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 2vhn n ILE 99 N -2.27 0.73 0.00 0.53 -5.35 -0.04 -3.50 119.36 109.46 2vhn n ILE 99 Ca -0.13 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 2vhn n ILE 99 Cb 0.73 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 2vhn n ILE 99 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2vhn n ALA 100 N 1.14 0.00 0.03 -1.28 0.00 -0.24 -4.12 120.51 116.04 2vhn n ALA 100 Ca 0.19 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.82 2vhn n ALA 100 Cb 0.48 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.42 2vhn n ALA 100 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2vhn h ASP 101 N 0.00 0.00 -0.02 0.00 -0.00 -1.75 -0.72 116.42 113.93 2vhn h ASP 101 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.03 57.04 2vhn h ASP 101 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2vhn h ASP 101 CO 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 179.24 179.26 2vhn h ALA 102 N 0.81 1.65 -0.00 -0.78 0.00 -1.71 0.86 119.26 120.09 2vhn h ALA 102 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2vhn h ALA 102 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2vhn h ALA 102 CO -0.00 -0.03 -0.09 1.33 0.00 0.00 0.00 179.25 180.45 2vhn n VAL 103 N -3.98 0.00 0.07 0.00 0.24 -0.35 -4.40 118.33 109.92 2vhn n VAL 103 Ca -0.02 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.78 2vhn n VAL 103 Cb 0.11 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.50 2vhn n VAL 103 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2vhn h THR 104 N 0.32 0.00 0.00 3.34 2.02 0.45 -1.26 112.91 117.78 2vhn h THR 104 Ca 0.00 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2vhn h THR 104 Cb 0.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2vhn h THR 104 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2vhn n ALA 105 N -2.53 1.88 0.03 6.16 0.00 0.26 -1.68 120.51 124.63 2vhn n ALA 105 Ca -0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 53.44 53.13 2vhn n ALA 105 Cb 0.10 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 2vhn n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhn h ALA 106 N 2.67 0.33 0.00 0.00 0.00 -1.63 -3.48 119.26 117.15 2vhn h ALA 106 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 2vhn h ALA 106 Cb 0.02 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2vhn h ALA 106 CO 0.00 1.21 0.00 0.41 0.00 0.00 0.00 179.25 180.87 2vhn n GLY 107 N 1.91 0.00 3.13 0.00 0.00 -0.55 -5.06 105.19 104.62 2vhn n GLY 107 Ca -0.28 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2vhn n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vhn s VAL 108 N 0.00 -0.81 -0.72 1.61 1.01 -0.73 -4.99 120.40 115.77 2vhn s VAL 108 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2vhn s VAL 108 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 36.38 35.79 2vhn s VAL 108 CO 0.00 0.00 2.09 -0.70 0.00 0.00 0.00 175.10 176.49 2vhn s GLU 109 N 2.52 2.32 -0.01 2.72 2.56 -1.26 -3.56 118.70 123.99 2vhn s GLU 109 Ca 0.15 0.44 0.03 0.00 0.00 0.00 0.00 54.97 55.58 2vhn s GLU 109 Cb -0.06 -4.71 -0.01 0.00 2.00 0.00 0.00 34.13 31.35 2vhn s GLU 109 CO -0.20 -3.36 -0.10 0.54 -0.56 0.00 0.00 175.26 171.59 2vhn s VAL 110 N 11.02 0.76 0.30 3.70 0.11 -1.26 -5.08 120.40 129.95 2vhn s VAL 110 Ca 0.78 -0.41 0.10 0.00 -2.93 0.00 0.00 61.98 59.53 2vhn s VAL 110 Cb -0.11 -0.64 -0.05 0.00 -1.53 0.00 0.00 36.38 34.04 2vhn s VAL 110 CO 0.12 0.22 -0.06 0.00 -3.33 0.00 0.00 175.10 172.05 2vhn s ALA 111 N -0.18 3.04 -0.29 1.54 0.00 -1.26 -4.57 121.76 120.04 2vhn s ALA 111 Ca 0.03 -1.87 -0.03 0.00 0.00 0.00 0.00 51.96 50.09 2vhn s ALA 111 Cb -0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 2vhn s ALA 111 CO -0.00 0.18 1.20 0.36 0.00 0.00 0.00 175.76 177.50 2vhn n LYS 112 N -0.83 0.00 0.00 0.00 -0.00 -1.26 -4.80 118.16 111.27 2vhn n LYS 112 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 2vhn n LYS 112 Cb 0.61 -0.87 0.00 0.00 -0.00 0.00 0.00 35.03 34.77 2vhn n LYS 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2vhn n SER 113 N 4.21 0.00 0.08 -5.58 7.64 -1.26 -4.87 113.62 113.84 2vhn n SER 113 Ca 0.20 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.09 2vhn n SER 113 Cb 0.33 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.49 2vhn n SER 113 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2vhn h GLU 114 N 0.00 0.00 -5.74 1.43 5.08 -1.87 -3.50 114.58 109.97 2vhn h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2vhn h GLU 114 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2vhn h GLU 114 CO 0.00 0.35 -0.13 1.55 -1.00 0.00 0.00 179.01 179.78 2vhn n VAL 115 N -3.00 -1.87 0.34 3.13 3.14 -1.26 -4.91 118.33 113.90 2vhn n VAL 115 Ca -0.05 0.24 -0.17 0.00 -2.96 0.00 0.00 64.34 61.40 2vhn n VAL 115 Cb 0.78 -2.69 -0.09 0.00 -1.06 0.00 0.00 33.84 30.78 2vhn n VAL 115 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 2vhn h ARG 116 N 4.85 -0.86 -6.35 1.45 2.43 0.83 -3.47 114.38 113.25 2vhn h ARG 116 Ca -0.04 0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 2vhn h ARG 116 Cb 0.09 0.20 0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2vhn h ARG 116 CO 0.00 -0.58 -1.10 -0.11 -1.51 0.00 0.00 179.97 176.67 2vhn n LEU 117 N -5.49 -3.44 0.00 3.80 7.94 -1.26 -4.67 117.00 113.87 2vhn n LEU 117 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2vhn n LEU 117 Cb 0.38 -1.88 0.00 0.00 0.53 0.00 0.00 43.42 42.45 2vhn n LEU 117 CO 0.35 -0.50 0.01 -2.65 -1.11 0.00 0.00 177.39 173.49 2vhn n PRO 118 N -0.07 0.00 0.00 1.96 -0.02 -1.26 -4.55 135.00 131.06 2vhn n PRO 118 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2vhn n PRO 118 Cb 0.63 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 2vhn n PRO 118 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2vhn n ASN 119 N -0.50 0.00 -3.77 2.55 5.15 -1.26 -4.99 115.26 112.44 2vhn n ASN 119 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2vhn n ASN 119 Cb 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 2vhn n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2vhn n GLY 120 N -0.61 0.27 0.00 8.20 0.00 -1.26 -4.78 105.19 107.00 2vhn n GLY 120 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2vhn n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2vhn n VAL 121 N 7.14 0.00 -2.37 1.61 0.24 -1.26 -4.77 118.33 118.92 2vhn n VAL 121 Ca 0.41 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.69 2vhn n VAL 121 Cb 0.42 -0.87 0.01 0.00 -1.47 0.00 0.00 33.84 31.92 2vhn n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vhn n LEU 122 N 0.00 -1.69 0.00 1.34 7.99 -1.26 -3.71 117.00 119.67 2vhn n LEU 122 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2vhn n LEU 122 Cb 0.00 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 42.48 2vhn n LEU 122 CO 0.00 0.03 0.00 -1.14 -1.51 0.00 0.00 177.39 174.77 2vhn n ARG 123 N -1.17 0.00 -0.38 3.23 0.63 -1.26 -4.51 116.66 113.20 2vhn n ARG 123 Ca -0.01 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.72 2vhn n ARG 123 Cb 0.52 -0.21 0.17 0.00 0.45 0.00 0.00 32.46 33.39 2vhn n ARG 123 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2vhn n THR 124 N 0.00 0.00 -4.04 5.15 5.66 -1.26 -1.66 114.28 118.13 2vhn n THR 124 Ca 0.00 -0.14 -0.32 0.00 -3.05 0.00 0.00 64.05 60.54 2vhn n THR 124 Cb 0.00 -0.87 -0.15 0.00 -1.55 0.00 0.00 70.33 67.76 2vhn n THR 124 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2vhn s THR 125 N -1.96 2.10 -4.01 1.09 -4.23 -1.00 -4.71 115.64 102.91 2vhn s THR 125 Ca 0.44 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2vhn s THR 125 Cb -0.06 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2vhn s THR 125 CO 0.35 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2vhn n GLY 126 N 4.43 -1.01 3.69 3.99 0.00 -1.23 -4.70 105.19 110.36 2vhn n GLY 126 Ca -0.11 -1.09 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 2vhn n GLY 126 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2vhn n GLU 127 N 0.00 2.32 -3.50 1.61 0.00 -1.25 -2.25 120.64 117.57 2vhn n GLU 127 Ca 0.00 0.83 -0.16 0.00 0.00 0.00 0.00 57.16 57.84 2vhn n GLU 127 Cb 0.00 -2.61 -0.12 0.00 0.00 0.00 0.00 31.44 28.71 2vhn n GLU 127 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2vhn s HIS 128 N 0.79 -0.40 0.05 -1.84 3.76 0.03 -4.97 115.29 112.71 2vhn s HIS 128 Ca 0.76 0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 55.84 2vhn s HIS 128 Cb -0.62 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 2vhn s HIS 128 CO 0.39 -0.57 1.00 -2.00 -0.85 0.00 0.00 174.74 172.70 2vhn s GLU 129 N 2.38 4.60 -0.25 1.40 2.12 -1.26 -3.33 118.70 124.35 2vhn s GLU 129 Ca 0.07 1.48 -0.02 0.00 0.36 0.00 0.00 54.97 56.86 2vhn s GLU 129 Cb -0.15 -3.41 0.13 0.00 0.26 0.00 0.00 34.13 30.96 2vhn s GLU 129 CO -0.12 0.03 0.32 0.08 -0.54 0.00 0.00 175.26 175.03 2vhn s VAL 130 N 0.60 -0.48 0.46 3.70 1.01 -0.94 -4.43 120.40 120.32 2vhn s VAL 130 Ca 0.51 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 2vhn s VAL 130 Cb -0.23 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 2vhn s VAL 130 CO 0.29 -0.26 0.99 -0.55 0.00 0.00 0.00 175.10 175.58 2vhn s SER 131 N 2.44 6.65 0.11 3.32 0.15 -1.26 -3.09 113.70 122.01 2vhn s SER 131 Ca 0.10 1.79 0.01 0.00 0.70 0.00 0.00 55.95 58.55 2vhn s SER 131 Cb -0.15 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2vhn s SER 131 CO -0.21 -0.57 -0.04 0.12 1.20 0.00 0.00 173.24 173.74 2vhn s PHE 132 N -2.12 0.91 -0.19 3.44 5.36 -1.18 0.13 117.98 124.34 2vhn s PHE 132 Ca 0.64 -0.96 -0.07 0.00 -0.96 0.00 0.00 56.93 55.57 2vhn s PHE 132 Cb -0.12 -0.53 0.08 0.00 -0.34 0.00 0.00 43.02 42.10 2vhn s PHE 132 CO 0.17 -0.20 0.41 1.14 -1.46 0.00 0.00 175.22 175.28 2vhn s GLN 133 N -3.87 0.33 -0.03 10.12 -2.07 -1.26 -2.27 119.66 120.62 2vhn s GLN 133 Ca 0.14 0.95 0.19 0.00 -1.82 0.00 0.00 55.36 54.83 2vhn s GLN 133 Cb 0.06 0.21 -0.23 0.00 -1.09 0.00 0.00 33.01 31.96 2vhn s GLN 133 CO -0.03 -0.23 0.50 0.28 -1.32 0.00 0.00 175.29 174.49 2vhn n VAL 134 N 5.06 0.77 -4.45 3.63 0.31 -1.25 -3.79 118.33 118.62 2vhn n VAL 134 Ca -0.13 -0.66 -0.23 0.00 -0.01 0.00 0.00 64.34 63.32 2vhn n VAL 134 Cb 0.51 -0.36 -0.09 0.00 -0.91 0.00 0.00 33.84 32.99 2vhn n VAL 134 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2vhn s HIS 135 N -3.05 1.76 0.12 3.52 5.65 -1.26 -5.02 115.29 117.01 2vhn s HIS 135 Ca -0.07 -1.24 -0.33 0.00 0.25 0.00 0.00 55.06 53.67 2vhn s HIS 135 Cb 0.10 -1.09 -0.12 0.00 -1.18 0.00 0.00 32.58 30.29 2vhn s HIS 135 CO 0.85 -0.30 1.55 0.77 -0.65 0.00 0.00 174.74 176.96 2vhn h SER 136 N 1.98 -1.78 -0.06 9.88 0.02 -1.96 -2.78 113.55 118.86 2vhn h SER 136 Ca -0.36 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2vhn h SER 136 Cb 1.26 0.71 0.00 0.00 0.14 0.00 0.00 62.40 64.51 2vhn h SER 136 CO 0.58 -0.45 0.00 -0.62 -1.14 0.00 0.00 176.83 175.20 2vhn n GLU 137 N -5.41 1.91 -2.32 3.45 1.02 -1.26 -4.80 120.64 113.23 2vhn n GLU 137 Ca -0.05 -1.33 -0.37 0.00 -0.02 0.00 0.00 57.16 55.39 2vhn n GLU 137 Cb 0.36 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.28 2vhn n GLU 137 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2vhn s VAL 138 N -1.94 3.64 -0.22 2.62 1.01 -1.05 -4.97 120.40 119.49 2vhn s VAL 138 Ca 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2vhn s VAL 138 Cb 0.20 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 32.06 2vhn s VAL 138 CO 0.32 -1.46 -0.09 0.72 0.00 0.00 0.00 175.10 174.58 2vhn s PHE 139 N 7.30 2.95 -0.23 5.22 -0.12 -1.26 -3.81 117.98 128.03 2vhn s PHE 139 Ca 0.54 -1.36 -0.02 0.00 -0.05 0.00 0.00 56.93 56.04 2vhn s PHE 139 Cb -0.06 -2.04 0.07 0.00 -0.63 0.00 0.00 43.02 40.37 2vhn s PHE 139 CO 0.03 -0.69 0.04 0.00 -0.05 0.00 0.00 175.22 174.56 2vhn s ALA 140 N 1.37 1.24 -0.45 1.99 0.00 -0.96 -4.98 121.76 119.98 2vhn s ALA 140 Ca 0.03 -1.05 -0.33 0.00 0.00 0.00 0.00 51.96 50.62 2vhn s ALA 140 Cb -0.15 -1.33 -0.12 0.00 0.00 0.00 0.00 23.12 21.52 2vhn s ALA 140 CO -0.06 -1.32 2.29 1.63 0.00 0.00 0.00 175.76 178.30 2vhn n LYS 141 N 4.96 0.97 -3.10 0.00 4.01 -1.26 -3.08 118.16 120.66 2vhn n LYS 141 Ca -0.07 0.21 -0.45 0.00 -0.51 0.00 0.00 58.31 57.49 2vhn n LYS 141 Cb 0.45 -2.54 -0.04 0.00 -0.51 0.00 0.00 35.03 32.40 2vhn n LYS 141 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2vhn s VAL 142 N 8.39 4.87 -0.14 -0.18 1.01 -1.18 -4.69 120.40 128.48 2vhn s VAL 142 Ca 1.11 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2vhn s VAL 142 Cb -0.77 -4.54 -0.03 0.00 0.00 0.00 0.00 36.38 31.04 2vhn s VAL 142 CO 0.45 -1.18 -0.01 -0.63 0.00 0.00 0.00 175.10 173.72 2vhn s ILE 143 N 2.48 4.17 0.20 2.22 1.01 -1.26 -2.21 121.20 127.80 2vhn s ILE 143 Ca 0.15 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.56 2vhn s ILE 143 Cb -0.20 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.40 2vhn s ILE 143 CO 0.03 0.51 0.00 0.68 0.00 0.00 0.00 174.94 176.16 2vhn s VAL 144 N 0.08 0.85 -0.29 2.92 -7.23 -1.21 -3.12 120.40 112.39 2vhn s VAL 144 Ca 0.01 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2vhn s VAL 144 Cb -0.13 -2.23 0.09 0.00 0.56 0.00 0.00 36.38 34.66 2vhn s VAL 144 CO 0.02 -0.39 0.07 0.21 -0.31 0.00 0.00 175.10 174.70 2vhn s ASN 145 N -3.24 3.90 1.00 4.85 2.47 -1.20 -0.79 114.94 121.93 2vhn s ASN 145 Ca 0.26 -1.51 -0.15 0.00 0.42 0.00 0.00 52.86 51.88 2vhn s ASN 145 Cb 0.06 -0.90 0.19 0.00 -1.45 0.00 0.00 41.25 39.15 2vhn s ASN 145 CO 0.06 -0.38 1.19 -0.69 -3.72 0.00 0.00 177.10 173.56 2vhn s VAL 146 N 1.59 1.89 0.00 -5.21 1.01 -0.95 -3.87 120.40 114.86 2vhn s VAL 146 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2vhn s VAL 146 Cb -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2vhn s VAL 146 CO -0.20 0.00 0.00 0.52 0.00 0.00 0.00 175.10 175.42 2vhn n VAL 147 N -4.01 0.00 -3.70 2.92 0.31 -1.19 -3.50 118.33 109.16 2vhn n VAL 147 Ca 0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.14 2vhn n VAL 147 Cb 0.59 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.38 2vhn n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vhn s ALA 148 N -1.32 1.48 0.00 3.52 0.00 -1.26 -2.92 121.76 121.26 2vhn s ALA 148 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 2vhn s ALA 148 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2vhn s ALA 148 CO 0.00 -1.74 0.00 0.39 0.00 0.00 0.00 175.76 174.41