#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhn n TYR 2 N 0.00 -2.22 -0.30 2.03 4.01 0.96 -4.62 117.16 117.03 2vhn n TYR 2 Ca 0.00 -0.18 -0.29 0.00 -0.16 0.00 0.00 57.90 57.27 2vhn n TYR 2 Cb 0.00 -0.66 0.27 0.00 -0.31 0.00 0.00 39.34 38.65 2vhn n TYR 2 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2vhn n ALA 3 N -3.54 -4.39 -1.64 -0.72 0.00 -1.25 -4.50 120.51 104.45 2vhn n ALA 3 Ca -0.07 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.62 2vhn n ALA 3 Cb 0.21 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2vhn n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2vhn n VAL 4 N -5.57 0.00 -0.39 0.00 0.24 -1.26 -4.22 118.33 107.13 2vhn n VAL 4 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2vhn n VAL 4 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 2vhn n VAL 4 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2vhn n PHE 5 N 0.00 0.00 -1.09 6.34 7.35 -1.26 -4.12 117.46 124.68 2vhn n PHE 5 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2vhn n PHE 5 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2vhn n PHE 5 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2vhn n GLN 6 N -2.27 0.88 0.00 -4.13 0.00 -1.26 -3.95 117.38 106.65 2vhn n GLN 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2vhn n GLN 6 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.28 2vhn n GLN 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2vhn n SER 7 N 0.00 0.00 0.00 2.61 2.88 -1.26 -3.93 113.62 113.92 2vhn n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2vhn n SER 7 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2vhn n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2vhn n GLY 8 N 1.49 2.73 0.00 0.46 0.00 -1.26 -3.49 105.19 105.12 2vhn n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vhn n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhn n GLY 9 N -0.83 0.00 0.77 -0.02 0.00 -1.26 -5.15 105.19 98.70 2vhn n GLY 9 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2vhn n GLY 9 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2vhn n LYS 10 N 0.00 -1.59 0.00 1.61 -0.00 -1.23 -5.00 118.16 111.94 2vhn n LYS 10 Ca 0.00 1.11 0.00 0.00 -0.00 0.00 0.00 58.31 59.42 2vhn n LYS 10 Cb 0.00 -1.93 0.00 0.00 -0.00 0.00 0.00 35.03 33.10 2vhn n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2vhn n GLN 11 N -3.00 0.00 -3.75 -1.58 -0.06 -1.25 -4.81 117.38 102.92 2vhn n GLN 11 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 57.00 54.85 2vhn n GLN 11 Cb 0.35 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.38 2vhn n GLN 11 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2vhn s HIS 12 N 0.00 -0.08 0.00 3.69 2.46 -1.26 -4.89 115.29 115.21 2vhn s HIS 12 Ca 0.00 0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.86 2vhn s HIS 12 Cb 0.00 -0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.29 2vhn s HIS 12 CO 0.00 -0.14 0.00 0.54 -2.47 0.00 0.00 174.74 172.67 2vhn n ARG 13 N 4.25 0.60 -3.48 2.88 1.74 -1.26 -4.51 116.66 116.89 2vhn n ARG 13 Ca -0.26 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.59 2vhn n ARG 13 Cb 0.51 -0.05 0.02 0.00 -1.02 0.00 0.00 32.46 31.92 2vhn n ARG 13 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2vhn s VAL 14 N 0.00 1.99 0.00 1.55 -7.23 -1.26 -4.70 120.40 110.75 2vhn s VAL 14 Ca 0.00 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2vhn s VAL 14 Cb 0.00 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2vhn s VAL 14 CO 0.00 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.59 2vhn n SER 15 N -1.94 0.00 -0.46 4.85 7.64 -1.26 -3.97 113.62 118.47 2vhn n SER 15 Ca 0.06 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.00 2vhn n SER 15 Cb 0.63 0.11 0.07 0.00 -1.01 0.00 0.00 64.21 64.01 2vhn n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2vhn n GLU 16 N -1.68 0.99 -3.53 1.43 1.02 -1.26 -4.39 120.64 113.22 2vhn n GLU 16 Ca 0.00 -1.33 -0.22 0.00 -0.02 0.00 0.00 57.16 55.60 2vhn n GLU 16 Cb 0.00 -1.21 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 2vhn n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vhn n GLY 17 N 0.57 3.06 3.47 0.62 0.00 -1.26 -4.99 105.19 106.66 2vhn n GLY 17 Ca 0.07 -2.29 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 2vhn n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2vhn s GLN 18 N -3.67 1.69 0.09 1.61 1.03 -1.26 -4.46 119.66 114.70 2vhn s GLN 18 Ca 0.17 -1.66 -0.06 0.00 0.04 0.00 0.00 55.36 53.86 2vhn s GLN 18 Cb -0.01 -1.83 -0.02 0.00 0.03 0.00 0.00 33.01 31.18 2vhn s GLN 18 CO 0.11 0.36 0.12 0.95 -2.54 0.00 0.00 175.29 174.29 2vhn s THR 19 N -2.22 0.16 -0.22 3.63 -4.23 -0.93 -4.98 115.64 106.85 2vhn s THR 19 Ca 0.27 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 2vhn s THR 19 Cb -0.06 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 2vhn s THR 19 CO 0.14 -0.71 0.14 0.68 -0.54 0.00 0.00 174.62 174.33 2vhn s VAL 20 N -3.90 5.38 0.16 2.29 -7.23 -1.25 -3.89 120.40 111.95 2vhn s VAL 20 Ca 0.08 0.18 0.09 0.00 -1.81 0.00 0.00 61.98 60.52 2vhn s VAL 20 Cb 0.06 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2vhn s VAL 20 CO -0.09 0.39 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.84 2vhn s ARG 21 N 0.73 1.98 0.00 4.82 1.81 -0.19 -4.92 118.95 123.18 2vhn s ARG 21 Ca 0.08 -1.25 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 2vhn s ARG 21 Cb -0.12 -2.14 0.00 0.00 -0.45 0.00 0.00 34.95 32.23 2vhn s ARG 21 CO 0.01 0.45 0.00 1.47 -0.68 0.00 0.00 175.30 176.55 2vhn n LEU 22 N 0.25 0.00 0.01 2.53 -0.00 -1.26 -1.79 117.00 116.74 2vhn n LEU 22 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 2vhn n LEU 22 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 2vhn n LEU 22 CO 0.33 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.93 2vhn n GLU 23 N 0.00 0.00 -2.85 1.47 2.13 -1.26 -2.93 120.64 117.20 2vhn n GLU 23 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2vhn n GLU 23 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2vhn n GLU 23 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2vhn n LYS 24 N -2.51 -1.41 -0.10 5.31 2.85 -1.26 -4.76 118.16 116.28 2vhn n LYS 24 Ca 0.00 1.04 -0.01 0.00 -1.05 0.00 0.00 58.31 58.30 2vhn n LYS 24 Cb 0.00 -1.46 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 2vhn n LYS 24 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2vhn n LEU 25 N -0.13 3.44 0.00 -5.58 7.94 -1.26 -3.09 117.00 118.32 2vhn n LEU 25 Ca -0.07 -1.68 0.02 0.00 -1.11 0.00 0.00 56.01 53.17 2vhn n LEU 25 Cb 0.51 -0.60 0.11 0.00 0.53 0.00 0.00 43.42 43.96 2vhn n LEU 25 CO 0.41 0.59 0.46 -0.90 -1.11 0.00 0.00 177.39 176.84 2vhn n ASP 26 N 0.61 0.00 0.00 1.96 5.75 -1.26 -4.94 116.55 118.67 2vhn n ASP 26 Ca 0.01 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.95 2vhn n ASP 26 Cb 0.52 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 2vhn n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2vhn n ILE 27 N -1.23 0.00 0.00 2.12 3.06 -1.18 -5.04 119.36 117.09 2vhn n ILE 27 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 2vhn n ILE 27 Cb 0.03 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.21 2vhn n ILE 27 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2vhn n ALA 28 N -0.96 0.00 -0.34 1.51 0.00 -1.26 -4.86 120.51 114.59 2vhn n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vhn n ALA 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vhn n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2vhn n THR 29 N -0.12 0.00 0.00 0.00 -2.24 -1.26 -3.31 114.28 107.35 2vhn n THR 29 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2vhn n THR 29 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2vhn n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vhn n GLY 30 N 0.00 -3.05 3.79 3.38 0.00 -1.26 -4.49 105.19 103.56 2vhn n GLY 30 Ca 0.00 0.47 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 2vhn n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vhn s GLU 31 N -0.84 4.50 0.00 1.61 2.02 -1.26 -4.85 118.70 119.88 2vhn s GLU 31 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.15 2vhn s GLU 31 Cb 0.00 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.25 2vhn s GLU 31 CO 0.00 0.41 0.00 0.25 0.02 0.00 0.00 175.26 175.94 2vhn n THR 32 N 0.94 0.00 -2.19 3.63 -2.24 -1.21 -4.82 114.28 108.39 2vhn n THR 32 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2vhn n THR 32 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2vhn n THR 32 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2vhn n VAL 33 N 0.00 0.00 -3.42 2.28 3.14 -1.26 -4.76 118.33 114.31 2vhn n VAL 33 Ca 0.00 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.01 2vhn n VAL 33 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 2vhn n VAL 33 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2vhn s GLU 34 N 1.31 4.24 -0.72 1.45 0.41 -1.26 -5.04 118.70 119.08 2vhn s GLU 34 Ca 0.00 0.22 0.04 0.00 -0.41 0.00 0.00 54.97 54.81 2vhn s GLU 34 Cb 0.00 -3.48 0.30 0.00 -1.78 0.00 0.00 34.13 29.17 2vhn s GLU 34 CO 0.00 0.09 1.04 1.19 -0.49 0.00 0.00 175.26 177.09 2vhn n PHE 35 N 4.02 3.52 -1.39 1.61 3.72 -1.26 -5.06 117.46 122.61 2vhn n PHE 35 Ca -0.09 -3.71 -0.46 0.00 -0.05 0.00 0.00 57.45 53.14 2vhn n PHE 35 Cb 0.51 -0.70 -0.02 0.00 -0.94 0.00 0.00 39.48 38.34 2vhn n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2vhn n ALA 36 N 0.42 -2.56 0.00 4.37 0.00 -1.26 -4.46 120.51 117.02 2vhn n ALA 36 Ca 0.32 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2vhn n ALA 36 Cb 0.38 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2vhn n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2vhn n GLU 37 N 1.03 0.00 -4.09 0.00 0.28 -1.26 -5.02 120.64 111.57 2vhn n GLU 37 Ca 0.15 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.91 2vhn n GLU 37 Cb 0.31 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.13 2vhn n GLU 37 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2vhn s VAL 38 N 0.00 4.49 -2.00 3.84 -7.23 -1.26 -3.68 120.40 114.56 2vhn s VAL 38 Ca 0.00 -1.22 0.14 0.00 -1.81 0.00 0.00 61.98 59.08 2vhn s VAL 38 Cb 0.00 -3.36 0.38 0.00 0.56 0.00 0.00 36.38 33.97 2vhn s VAL 38 CO 0.00 -0.22 1.23 -0.11 -0.31 0.00 0.00 175.10 175.69 2vhn n LEU 39 N -0.74 0.00 0.15 1.32 0.00 -1.12 -0.86 117.00 115.75 2vhn n LEU 39 Ca -0.08 0.00 0.06 0.00 0.00 0.00 0.00 56.01 55.98 2vhn n LEU 39 Cb 0.56 0.00 0.30 0.00 0.00 0.00 0.00 43.42 44.28 2vhn n LEU 39 CO 0.43 0.00 0.77 0.80 0.00 0.00 0.00 177.39 179.40 2vhn n MET 40 N -0.96 0.08 -1.68 1.96 0.00 -1.26 -2.04 117.12 113.22 2vhn n MET 40 Ca 0.10 0.54 -0.59 0.00 -0.00 0.00 0.00 57.70 57.75 2vhn n MET 40 Cb 0.05 -2.09 -0.08 0.00 0.00 0.00 0.00 33.22 31.10 2vhn n MET 40 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 2vhn n ILE 41 N -1.97 0.15 -1.05 1.12 0.13 -0.04 -2.10 119.36 115.61 2vhn n ILE 41 Ca -0.01 -0.03 -0.16 0.00 -1.10 0.00 0.00 62.75 61.45 2vhn n ILE 41 Cb 0.36 -0.87 -0.15 0.00 -0.84 0.00 0.00 39.64 38.15 2vhn n ILE 41 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2vhn n ALA 42 N 4.17 6.57 -3.79 1.51 0.00 -1.26 -2.58 120.51 125.13 2vhn n ALA 42 Ca 0.25 -2.10 -0.34 0.00 0.00 0.00 0.00 53.44 51.25 2vhn n ALA 42 Cb 0.09 -2.48 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 2vhn n ALA 42 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2vhn s ASN 43 N 2.01 4.93 -1.35 0.00 0.01 -1.24 -4.79 114.94 114.52 2vhn s ASN 43 Ca 0.67 -1.66 -0.09 0.00 -0.71 0.00 0.00 52.86 51.07 2vhn s ASN 43 Cb 0.30 -1.71 0.12 0.00 0.41 0.00 0.00 41.25 40.36 2vhn s ASN 43 CO -0.01 -0.36 2.16 0.61 -1.51 0.00 0.00 177.10 177.99 2vhn n GLY 44 N 4.53 4.81 0.00 0.66 0.00 -0.13 -4.44 105.19 110.62 2vhn n GLY 44 Ca -0.07 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2vhn n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vhn n GLU 45 N 3.52 0.00 0.00 1.61 2.13 -1.26 -4.65 120.64 121.99 2vhn n GLU 45 Ca 0.51 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.33 2vhn n GLU 45 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.03 2vhn n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2vhn n GLU 46 N -0.85 0.00 0.00 5.31 -0.58 -1.26 -4.33 120.64 118.94 2vhn n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2vhn n GLU 46 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2vhn n GLU 46 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2vhn n VAL 47 N 0.00 0.00 0.08 2.62 3.14 -1.26 -0.03 118.33 122.88 2vhn n VAL 47 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 2vhn n VAL 47 Cb 0.00 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 32.84 2vhn n VAL 47 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2vhn h LYS 48 N 0.00 0.24 -6.71 1.45 1.57 -2.05 -3.45 116.57 107.62 2vhn h LYS 48 Ca 0.00 -0.20 -0.49 0.00 -1.87 0.00 0.00 60.65 58.09 2vhn h LYS 48 Cb 0.00 0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.37 2vhn h LYS 48 CO 0.00 0.86 -0.04 0.96 -0.57 0.00 0.00 179.45 180.66 2vhn s ILE 49 N -3.55 4.99 0.00 1.86 -4.36 -1.26 -5.11 121.20 113.77 2vhn s ILE 49 Ca -0.04 -0.03 0.00 0.00 -0.26 0.00 0.00 60.65 60.32 2vhn s ILE 49 Cb 0.11 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.99 2vhn s ILE 49 CO 0.81 -0.64 0.00 0.61 0.24 0.00 0.00 174.94 175.96 2vhn n GLY 50 N -1.83 -2.02 0.00 6.27 0.00 -1.26 -4.51 105.19 101.85 2vhn n GLY 50 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2vhn n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2vhn n VAL 51 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.21 118.33 114.78 2vhn n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2vhn n VAL 51 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2vhn n VAL 51 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2vhn n PRO 52 N 0.00 3.25 -3.30 5.55 -0.05 -1.26 -0.95 135.00 138.24 2vhn n PRO 52 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 63.50 63.04 2vhn n PRO 52 Cb 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.37 2vhn n PRO 52 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2vhn s PHE 53 N 0.00 3.19 -0.57 0.54 2.99 -1.26 -3.63 117.98 119.24 2vhn s PHE 53 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 56.93 56.98 2vhn s PHE 53 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 43.02 40.20 2vhn s PHE 53 CO 0.00 -0.49 0.62 0.28 -0.00 0.00 0.00 175.22 175.63 2vhn n VAL 54 N 5.35-10.19 -0.03 -0.44 0.31 -0.89 -4.90 118.33 107.55 2vhn n VAL 54 Ca -0.06 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2vhn n VAL 54 Cb 0.49 -6.95 0.00 0.00 -0.91 0.00 0.00 33.84 26.47 2vhn n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2vhn n ASP 55 N -1.07 0.00 0.00 4.52 2.03 -0.87 -4.85 116.55 116.31 2vhn n ASP 55 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2vhn n ASP 55 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2vhn n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vhn n GLY 56 N 5.00 0.88 3.80 0.27 0.00 -1.26 -4.69 105.19 109.19 2vhn n GLY 56 Ca 0.00 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 2vhn n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhn n GLY 57 N 5.00 -0.94 3.35 -0.02 0.00 -1.26 -4.31 105.19 107.01 2vhn n GLY 57 Ca 0.00 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 2vhn n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vhn s VAL 58 N -3.49 4.54 0.00 1.61 0.11 -1.26 -2.70 120.40 119.20 2vhn s VAL 58 Ca 0.48 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 2vhn s VAL 58 Cb -0.20 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2vhn s VAL 58 CO 0.89 -0.33 0.00 -0.38 -3.33 0.00 0.00 175.10 171.95 2vhn n ILE 59 N 4.99 0.00 0.00 7.04 2.08 -1.26 -4.85 119.36 127.36 2vhn n ILE 59 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 2vhn n ILE 59 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.34 2vhn n ILE 59 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2vhn n LYS 60 N -2.22 0.00 0.00 0.38 4.81 -1.26 -5.06 118.16 114.82 2vhn n LYS 60 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2vhn n LYS 60 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2vhn n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2vhn n ALA 61 N -1.68 0.00 -2.99 3.14 0.00 -1.10 -4.42 120.51 113.46 2vhn n ALA 61 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2vhn n ALA 61 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2vhn n ALA 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2vhn s GLU 62 N 0.00 0.50 0.45 0.00 -1.05 -1.24 -4.77 118.70 112.59 2vhn s GLU 62 Ca 0.00 -0.52 0.05 0.00 -0.15 0.00 0.00 54.97 54.35 2vhn s GLU 62 Cb 0.00 0.20 -0.05 0.00 -0.44 0.00 0.00 34.13 33.84 2vhn s GLU 62 CO 0.00 -0.12 0.03 0.54 0.95 0.00 0.00 175.26 176.66 2vhn s VAL 63 N -1.75 1.70 -0.27 1.83 0.11 -1.01 -4.50 120.40 116.51 2vhn s VAL 63 Ca -0.12 -1.97 -0.25 0.00 -2.93 0.00 0.00 61.98 56.71 2vhn s VAL 63 Cb -0.06 -2.67 0.07 0.00 -1.53 0.00 0.00 36.38 32.19 2vhn s VAL 63 CO -0.00 0.00 0.73 0.54 -3.33 0.00 0.00 175.10 173.03 2vhn s VAL 64 N -2.77 0.00 0.00 2.04 0.11 -1.23 -3.15 120.40 115.41 2vhn s VAL 64 Ca 0.24 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2vhn s VAL 64 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 2vhn s VAL 64 CO 0.13 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.90 2vhn n ALA 65 N 2.71 0.00 0.00 1.54 0.00 -1.22 -4.47 120.51 119.07 2vhn n ALA 65 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2vhn n ALA 65 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2vhn n ALA 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2vhn n HIS 66 N -0.01 0.00 0.00 0.00 -0.00 -1.26 -3.98 115.22 109.97 2vhn n HIS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2vhn n HIS 66 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2vhn n HIS 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2vhn n GLY 67 N 0.00 0.23 0.00 1.57 0.00 -1.26 -4.63 105.19 101.10 2vhn n GLY 67 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2vhn n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vhn n ARG 68 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.75 116.66 114.00 2vhn n ARG 68 Ca 0.00 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 2vhn n ARG 68 Cb 0.00 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2vhn n ARG 68 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vhn n GLY 69 N -1.00 0.71 0.00 -0.13 0.00 -1.26 -4.32 105.19 99.19 2vhn n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vhn n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vhn n GLU 70 N 0.00 0.00 0.00 1.61 1.02 -1.15 -4.44 120.64 117.68 2vhn n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2vhn n GLU 70 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2vhn n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2vhn n LYS 71 N 0.00 0.00 -1.34 3.49 4.76 -1.26 -4.46 118.16 119.36 2vhn n LYS 71 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 2vhn n LYS 71 Cb 0.00 0.00 0.18 0.00 -1.84 0.00 0.00 35.03 33.37 2vhn n LYS 71 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2vhn s VAL 72 N -0.11 1.89 0.19 -0.18 0.11 -1.26 -3.97 120.40 117.07 2vhn s VAL 72 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2vhn s VAL 72 Cb 0.00 -2.62 -0.04 0.00 -1.53 0.00 0.00 36.38 32.19 2vhn s VAL 72 CO 0.00 0.00 0.13 -0.54 -3.33 0.00 0.00 175.10 171.36 2vhn s LYS 73 N -5.28 1.18 0.05 1.54 3.01 -1.26 -4.89 119.74 114.09 2vhn s LYS 73 Ca 0.67 -1.60 0.08 0.00 -1.01 0.00 0.00 55.97 54.12 2vhn s LYS 73 Cb -0.13 0.27 -0.03 0.00 -1.01 0.00 0.00 37.83 36.93 2vhn s LYS 73 CO 0.55 -0.38 -0.23 -1.50 0.51 0.00 0.00 175.35 174.30 2vhn s ILE 74 N -4.14 1.89 0.00 2.17 2.07 -1.26 -4.62 121.20 117.30 2vhn s ILE 74 Ca 0.37 -1.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.28 2vhn s ILE 74 Cb 0.07 -1.64 0.00 0.00 0.13 0.00 0.00 42.46 41.02 2vhn s ILE 74 CO 0.11 0.25 0.00 1.33 -1.91 0.00 0.00 174.94 174.71 2vhn n VAL 75 N 1.72 0.00 0.00 4.00 0.24 -1.26 -5.00 118.33 118.04 2vhn n VAL 75 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2vhn n VAL 75 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 2vhn n VAL 75 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2vhn n LYS 76 N 0.00 0.00 0.00 7.34 5.02 -1.26 -4.69 118.16 124.57 2vhn n LYS 76 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2vhn n LYS 76 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 2vhn n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2vhn n PHE 77 N -1.57 0.00 0.00 2.13 3.72 -1.26 -3.93 117.46 116.54 2vhn n PHE 77 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2vhn n PHE 77 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2vhn n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2vhn n ARG 78 N 0.00 0.00 -3.60 -1.08 5.12 -1.26 -4.75 116.66 111.09 2vhn n ARG 78 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2vhn n ARG 78 Cb 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 2vhn n ARG 78 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2vhn s ARG 79 N -2.00 0.43 0.00 5.56 3.00 -1.26 -5.00 118.95 119.68 2vhn s ARG 79 Ca 0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 55.73 54.54 2vhn s ARG 79 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 34.95 35.13 2vhn s ARG 79 CO 0.00 -0.19 0.00 -2.13 0.00 0.00 0.00 175.30 172.98 2vhn n ARG 80 N -0.24 0.00 0.00 5.12 0.63 -1.26 -1.79 116.66 119.12 2vhn n ARG 80 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 2vhn n ARG 80 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 2vhn n ARG 80 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2vhn n LYS 81 N 0.00 0.00 -1.33 -0.14 4.01 -1.26 -2.64 118.16 116.80 2vhn n LYS 81 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 2vhn n LYS 81 Cb 0.00 0.00 0.11 0.00 -0.51 0.00 0.00 35.03 34.63 2vhn n LYS 81 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 2vhn n HIS 82 N 1.71 3.03 -3.09 2.13 -0.00 -1.26 -4.71 115.22 113.02 2vhn n HIS 82 Ca 0.00 -2.57 -0.45 0.00 -0.00 0.00 0.00 57.72 54.70 2vhn n HIS 82 Cb 0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 29.99 28.79 2vhn n HIS 82 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2vhn s TYR 83 N -3.64 3.32 -0.13 1.57 1.51 -1.08 -4.94 117.35 113.95 2vhn s TYR 83 Ca 0.60 -1.52 -0.06 0.00 -1.01 0.00 0.00 57.07 55.09 2vhn s TYR 83 Cb 0.49 -4.08 -0.03 0.00 -0.11 0.00 0.00 41.96 38.22 2vhn s TYR 83 CO 0.03 -1.29 0.40 -2.13 -1.11 0.00 0.00 175.55 171.45 2vhn n ARG 84 N 5.64 0.00 -0.64 -0.62 3.00 -1.26 -3.88 116.66 118.90 2vhn n ARG 84 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.00 2vhn n ARG 84 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 32.46 32.69 2vhn n ARG 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2vhn n LYS 85 N 1.31 0.00 0.00 -0.14 2.85 -1.26 -5.10 118.16 115.82 2vhn n LYS 85 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2vhn n LYS 85 Cb 0.00 -0.32 0.00 0.00 -0.65 0.00 0.00 35.03 34.06 2vhn n LYS 85 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2vhn n GLN 86 N -1.15 0.00 0.00 -1.58 3.00 -1.25 -4.99 117.38 111.41 2vhn n GLN 86 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2vhn n GLN 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2vhn n GLN 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2vhn n GLN 87 N 0.00 3.81 0.00 -1.09 1.13 -0.74 -4.88 117.38 115.60 2vhn n GLN 87 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2vhn n GLN 87 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2vhn n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vhn n GLY 88 N 5.00 0.00 6.20 1.08 0.00 -1.25 -4.18 105.19 112.04 2vhn n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vhn n GLY 88 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2vhn n HIS 89 N -0.03 0.00 -0.35 1.61 1.44 -1.26 -4.38 115.22 112.25 2vhn n HIS 89 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2vhn n HIS 89 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2vhn n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2vhn n ARG 90 N 0.00 -0.96 -4.22 -1.40 1.74 -1.26 -5.10 116.66 105.45 2vhn n ARG 90 Ca 0.00 0.70 -0.18 0.00 -0.77 0.00 0.00 57.85 57.60 2vhn n ARG 90 Cb 0.00 -0.76 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 2vhn n ARG 90 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2vhn s GLN 91 N -3.63 0.79 0.43 5.56 2.00 -1.25 -5.06 119.66 118.50 2vhn s GLN 91 Ca 0.00 -0.80 0.02 0.00 -2.00 0.00 0.00 55.36 52.58 2vhn s GLN 91 Cb 0.00 -0.75 -0.01 0.00 0.80 0.00 0.00 33.01 33.05 2vhn s GLN 91 CO 0.00 0.17 0.07 -2.67 -0.50 0.00 0.00 175.29 172.36 2vhn n TRP 92 N 1.66 0.60 -3.63 1.67 4.27 -1.26 -4.04 117.44 116.70 2vhn n TRP 92 Ca -0.20 -2.39 -0.02 0.00 -3.89 0.00 0.00 57.50 51.00 2vhn n TRP 92 Cb 0.55 -0.16 -0.05 0.00 -1.36 0.00 0.00 31.31 30.29 2vhn n TRP 92 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2vhn s PHE 93 N -2.85 -1.23 -0.16 -2.67 5.36 -1.26 -4.93 117.98 110.25 2vhn s PHE 93 Ca 0.10 2.20 -0.29 0.00 -0.96 0.00 0.00 56.93 57.98 2vhn s PHE 93 Cb 0.00 0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 43.38 2vhn s PHE 93 CO 0.07 -0.61 1.77 0.95 -1.46 0.00 0.00 175.22 175.94 2vhn s THR 94 N 2.53 3.47 -0.07 0.12 -4.23 -1.26 -4.54 115.64 111.66 2vhn s THR 94 Ca -0.07 0.54 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 2vhn s THR 94 Cb -0.10 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 2vhn s THR 94 CO -0.19 -0.18 -0.12 1.51 -0.54 0.00 0.00 174.62 175.10 2vhn s ASP 95 N 4.77 4.16 -0.27 3.99 -4.77 -1.25 -4.51 116.67 118.78 2vhn s ASP 95 Ca 0.79 -0.19 -0.01 0.00 -3.30 0.00 0.00 52.55 49.83 2vhn s ASP 95 Cb -0.30 -1.08 0.04 0.00 -1.09 0.00 0.00 42.92 40.49 2vhn s ASP 95 CO 0.32 0.31 -0.03 0.54 0.70 0.00 0.00 175.17 177.00 2vhn s VAL 96 N -0.50 2.90 0.00 2.11 0.11 -0.74 -2.95 120.40 121.33 2vhn s VAL 96 Ca 0.07 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.90 2vhn s VAL 96 Cb -0.12 -2.57 0.00 0.00 -1.53 0.00 0.00 36.38 32.16 2vhn s VAL 96 CO 0.02 0.05 0.00 0.29 -3.33 0.00 0.00 175.10 172.12 2vhn n LYS 97 N 4.64 0.00 -0.10 1.54 4.76 -1.26 -1.02 118.16 126.71 2vhn n LYS 97 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2vhn n LYS 97 Cb 0.45 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.64 2vhn n LYS 97 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2vhn n ILE 98 N 0.00 -0.25 0.06 -0.18 -0.00 -1.25 -3.94 119.36 113.81 2vhn n ILE 98 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 2vhn n ILE 98 Cb 0.00 -0.32 -0.15 0.00 -0.00 0.00 0.00 39.64 39.18 2vhn n ILE 98 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2vhn h THR 99 N 0.00 0.99 0.00 1.39 1.03 -1.82 -2.47 112.91 112.03 2vhn h THR 99 Ca 0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 66.41 63.80 2vhn h THR 99 Cb 0.00 2.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.82 2vhn h THR 99 CO 0.00 0.84 0.00 0.61 -0.01 0.00 0.00 175.52 176.96 2vhn n GLY 100 N 1.80 -0.15 2.73 2.99 0.00 -1.26 -3.98 105.19 107.32 2vhn n GLY 100 Ca -0.22 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.09 2vhn n GLY 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2vhn s ILE 101 N -2.68 -0.29 0.35 -0.61 2.07 -1.19 -3.42 121.20 115.43 2vhn s ILE 101 Ca 0.00 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 2vhn s ILE 101 Cb 0.00 -0.66 0.00 0.00 0.13 0.00 0.00 42.46 41.93 2vhn s ILE 101 CO 0.00 -0.22 0.00 -1.20 -1.91 0.00 0.00 174.94 171.61 2vhn n SER 102 N 5.31 -5.10 -0.58 4.50 7.64 -1.26 -3.47 113.62 120.67 2vhn n SER 102 Ca -0.06 1.04 0.14 0.00 1.01 0.00 0.00 58.87 61.00 2vhn n SER 102 Cb 0.49 -3.68 0.44 0.00 -1.01 0.00 0.00 64.21 60.45 2vhn n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03