#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvg s ASN 2 N 0.00 4.34 -0.17 6.12 -0.87 -1.26 -5.01 114.94 118.09 2pvg s ASN 2 Ca 0.00 -0.46 -0.37 0.00 -1.57 0.00 0.00 52.86 50.47 2pvg s ASN 2 Cb 0.00 -0.79 -0.14 0.00 -0.02 0.00 0.00 41.25 40.30 2pvg s ASN 2 CO 0.00 0.15 1.81 0.52 -2.57 0.00 0.00 177.10 177.01 2pvg n VAL 3 N 0.46 0.44 0.00 1.60 0.31 -1.26 -1.91 118.33 117.97 2pvg n VAL 3 Ca -0.13 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2pvg n VAL 3 Cb 0.53 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2pvg n VAL 3 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pvg n GLY 4 N 4.27 2.59 3.66 2.92 0.00 -0.66 -5.02 105.19 112.96 2pvg n GLY 4 Ca 0.24 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2pvg n GLY 4 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pvg n ASP 5 N 0.00 2.20 -4.40 1.61 8.00 -0.80 -4.53 116.55 118.64 2pvg n ASP 5 Ca 0.00 1.16 -0.44 0.00 0.71 0.00 0.00 54.79 56.22 2pvg n ASP 5 Cb 0.00 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 39.62 2pvg n ASP 5 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2pvg s ARG 6 N -1.87 3.06 0.66 -1.24 3.52 -1.26 -0.98 118.95 120.83 2pvg s ARG 6 Ca 0.58 -1.21 -0.01 0.00 -0.13 0.00 0.00 55.73 54.96 2pvg s ARG 6 Cb -0.59 -4.19 0.08 0.00 -1.56 0.00 0.00 34.95 28.70 2pvg s ARG 6 CO 0.60 -1.33 0.91 0.14 -0.81 0.00 0.00 175.30 174.82 2pvg s VAL 7 N 2.40 2.35 -0.03 7.11 -7.23 0.39 -3.49 120.40 121.90 2pvg s VAL 7 Ca 0.11 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.71 2pvg s VAL 7 Cb -0.23 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 33.95 2pvg s VAL 7 CO 0.08 0.00 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.21 2pvg s ARG 8 N -5.01 0.72 -0.68 4.82 3.52 -0.39 -1.58 118.95 120.35 2pvg s ARG 8 Ca 0.62 -0.17 -0.27 0.00 -0.13 0.00 0.00 55.73 55.78 2pvg s ARG 8 Cb -0.08 -0.71 0.01 0.00 -1.56 0.00 0.00 34.95 32.61 2pvg s ARG 8 CO 0.42 0.03 1.47 0.08 -0.81 0.00 0.00 175.30 176.49 2pvg s VAL 9 N 0.42 3.62 -0.09 7.11 1.01 0.16 -0.83 120.40 131.80 2pvg s VAL 9 Ca -0.05 0.38 -0.09 0.00 0.00 0.00 0.00 61.98 62.21 2pvg s VAL 9 Cb -0.09 -4.57 -0.28 0.00 0.00 0.00 0.00 36.38 31.43 2pvg s VAL 9 CO 0.00 -1.50 0.50 0.71 0.00 0.00 0.00 175.10 174.81 2pvg h THR 10 N 6.32 0.77 -4.11 3.92 1.35 -1.69 0.51 112.91 119.99 2pvg h THR 10 Ca -0.27 -2.41 -0.50 0.00 -0.55 0.00 0.00 66.41 62.68 2pvg h THR 10 Cb 1.09 2.62 0.05 0.00 -1.73 0.00 0.00 68.15 70.17 2pvg h THR 10 CO 1.25 0.87 0.32 -0.44 -0.25 0.00 0.00 175.52 177.27 2pvg s SER 11 N -7.15 6.29 -0.10 5.36 0.01 -0.73 -4.85 113.70 112.54 2pvg s SER 11 Ca -0.20 1.30 -0.30 0.00 1.31 0.00 0.00 55.95 58.06 2pvg s SER 11 Cb 0.06 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2pvg s SER 11 CO 0.80 -0.75 1.15 -0.55 0.41 0.00 0.00 173.24 174.31 2pvg s SER 12 N -4.01 7.08 -0.15 2.44 0.15 -1.26 -4.31 113.70 113.65 2pvg s SER 12 Ca 0.53 1.69 -0.02 0.00 0.70 0.00 0.00 55.95 58.85 2pvg s SER 12 Cb -0.11 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2pvg s SER 12 CO 0.48 -0.59 0.03 -0.69 1.20 0.00 0.00 173.24 173.67 2pvg s VAL 13 N 2.46 0.42 -0.10 4.45 1.01 -1.26 -4.99 120.40 122.39 2pvg s VAL 13 Ca 0.53 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 2pvg s VAL 13 Cb -0.22 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2pvg s VAL 13 CO 0.18 -0.04 0.34 -0.69 0.00 0.00 0.00 175.10 174.90 2pvg s VAL 14 N 1.92 5.22 0.26 2.92 1.01 -1.26 -0.73 120.40 129.74 2pvg s VAL 14 Ca 0.02 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2pvg s VAL 14 Cb -0.15 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2pvg s VAL 14 CO -0.07 0.46 0.05 0.68 0.00 0.00 0.00 175.10 176.23 2pvg s VAL 15 N -0.16 0.84 0.00 2.92 -7.23 -0.69 -4.90 120.40 111.17 2pvg s VAL 15 Ca 0.20 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 2pvg s VAL 15 Cb -0.14 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2pvg s VAL 15 CO 0.08 -0.13 0.50 -1.22 -0.31 0.00 0.00 175.10 174.02 2pvg n TYR 16 N -0.48 0.00 -1.00 2.82 4.02 -1.26 -2.12 117.16 119.14 2pvg n TYR 16 Ca -0.02 -0.12 0.07 0.00 -0.01 0.00 0.00 57.90 57.81 2pvg n TYR 16 Cb 0.65 -0.01 0.29 0.00 -0.02 0.00 0.00 39.34 40.25 2pvg n TYR 16 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 2pvg n HIS 17 N -0.12 1.29 -2.56 -0.72 1.44 -1.26 -1.26 115.22 112.01 2pvg n HIS 17 Ca 0.00 -0.90 -0.42 0.00 -2.01 0.00 0.00 57.72 54.39 2pvg n HIS 17 Cb 0.23 -0.39 -0.03 0.00 0.12 0.00 0.00 29.99 29.92 2pvg n HIS 17 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2pvg s HIS 18 N -2.85 3.48 0.52 -1.40 5.04 -1.26 -4.91 115.29 113.91 2pvg s HIS 18 Ca 0.46 1.46 0.35 0.00 -1.54 0.00 0.00 55.06 55.79 2pvg s HIS 18 Cb 0.37 -3.28 1.51 0.00 0.04 0.00 0.00 32.58 31.21 2pvg s HIS 18 CO 0.10 -0.70 1.77 -1.00 -2.34 0.00 0.00 174.74 172.57 2pvg h PRO 19 N 6.96 0.05 -0.30 2.88 0.13 -1.94 0.41 132.00 140.20 2pvg h PRO 19 Ca -0.39 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2pvg h PRO 19 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2pvg h PRO 19 CO 0.81 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 179.00 2pvg n GLU 20 N -4.24 2.43 -2.79 0.86 1.02 -1.26 -4.36 120.64 112.30 2pvg n GLU 20 Ca 0.28 -2.18 -0.01 0.00 -0.02 0.00 0.00 57.16 55.22 2pvg n GLU 20 Cb 1.27 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 31.26 2pvg n GLU 20 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2pvg n HIS 21 N 1.43 0.53 -1.64 -0.32 8.25 0.13 -5.10 115.22 118.50 2pvg n HIS 21 Ca 0.18 -2.11 -0.49 0.00 -0.26 0.00 0.00 57.72 55.03 2pvg n HIS 21 Cb 0.60 0.14 -0.05 0.00 1.12 0.00 0.00 29.99 31.80 2pvg n HIS 21 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pvg n ALA 22 N -0.73 0.41 -0.51 -1.41 0.00 -0.20 -1.69 120.51 116.38 2pvg n ALA 22 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2pvg n ALA 22 Cb 0.82 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2pvg n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pvg n LYS 23 N 3.43 0.00 -4.70 0.00 5.02 -0.39 -4.95 118.16 116.56 2pvg n LYS 23 Ca 0.18 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.16 2pvg n LYS 23 Cb 0.25 -3.74 -0.13 0.00 -0.02 0.00 0.00 35.03 31.39 2pvg n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pvg s THR 24 N -1.86 2.84 0.48 -0.18 -4.23 -0.68 -5.01 115.64 107.00 2pvg s THR 24 Ca 0.00 -1.11 -0.24 0.00 -1.18 0.00 0.00 61.69 59.17 2pvg s THR 24 Cb 0.00 -2.18 -0.07 0.00 1.34 0.00 0.00 72.50 71.59 2pvg s THR 24 CO 0.00 0.38 1.35 0.00 -0.54 0.00 0.00 174.62 175.81 2pvg s ALA 25 N -0.89 3.06 -0.26 3.99 0.00 -1.26 -4.39 121.76 122.01 2pvg s ALA 25 Ca 0.14 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.31 2pvg s ALA 25 Cb -0.11 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 19.57 2pvg s ALA 25 CO 0.05 -1.14 0.59 0.12 0.00 0.00 0.00 175.76 175.38 2pvg s PHE 26 N -1.28 -1.08 -0.04 0.00 5.36 -0.90 -4.95 117.98 115.09 2pvg s PHE 26 Ca 0.64 2.01 -0.29 0.00 -0.96 0.00 0.00 56.93 58.34 2pvg s PHE 26 Cb -0.40 0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 42.86 2pvg s PHE 26 CO 0.50 -0.56 0.93 0.34 -1.46 0.00 0.00 175.22 174.97 2pvg s ASP 27 N 2.28 7.26 0.00 6.13 -1.08 -1.26 -1.71 116.67 128.29 2pvg s ASP 27 Ca -0.07 1.53 0.26 0.00 -0.52 0.00 0.00 52.55 53.76 2pvg s ASP 27 Cb -0.09 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.57 2pvg s ASP 27 CO -0.17 -0.28 1.57 0.18 0.52 0.00 0.00 175.17 176.98 2pvg n LEU 28 N 4.15 0.65 -4.55 -1.34 4.77 0.09 -4.94 117.00 115.84 2pvg n LEU 28 Ca 0.05 -0.06 -0.49 0.00 -0.03 0.00 0.00 56.01 55.49 2pvg n LEU 28 Cb 0.51 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 2pvg n LEU 28 CO 0.51 0.14 0.57 1.67 -1.33 0.00 0.00 177.39 178.94 2pvg n GLN 29 N -1.12 0.95 0.00 3.23 7.27 -1.26 -1.25 117.38 125.20 2pvg n GLN 29 Ca 0.09 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.50 2pvg n GLN 29 Cb 0.33 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.25 2pvg n GLN 29 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2pvg n GLY 30 N 1.81 3.28 3.79 1.69 0.00 0.17 -5.01 105.19 110.92 2pvg n GLY 30 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2pvg n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pvg s MET 31 N -0.85 4.30 0.12 1.61 -1.94 -0.38 -4.78 119.30 117.38 2pvg s MET 31 Ca 0.00 1.41 0.09 0.00 -1.71 0.00 0.00 55.69 55.48 2pvg s MET 31 Cb 0.00 -2.58 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 2pvg s MET 31 CO 0.00 0.00 -0.20 -1.21 -0.01 0.00 0.00 175.02 173.60 2pvg s GLU 32 N -2.44 1.70 0.00 2.03 2.02 -1.26 -0.66 118.70 120.09 2pvg s GLU 32 Ca 0.56 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 54.34 2pvg s GLU 32 Cb -0.19 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 31.97 2pvg s GLU 32 CO 0.25 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2pvg n GLY 33 N 0.87 1.72 3.15 -1.39 0.00 -0.61 -4.73 105.19 104.19 2pvg n GLY 33 Ca -0.16 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 2pvg n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pvg s GLU 34 N -0.33 0.94 -0.39 1.61 8.01 -1.11 -0.46 118.70 126.97 2pvg s GLU 34 Ca 0.00 -0.76 -0.28 0.00 0.01 0.00 0.00 54.97 53.94 2pvg s GLU 34 Cb 0.00 -0.95 -0.02 0.00 -4.31 0.00 0.00 34.13 28.85 2pvg s GLU 34 CO 0.00 0.24 1.83 0.08 0.01 0.00 0.00 175.26 177.42 2pvg s VAL 35 N -0.85 3.44 -0.20 2.63 1.01 -0.15 -1.85 120.40 124.42 2pvg s VAL 35 Ca 0.02 0.41 0.18 0.00 0.00 0.00 0.00 61.98 62.59 2pvg s VAL 35 Cb -0.08 -3.68 0.16 0.00 0.00 0.00 0.00 36.38 32.78 2pvg s VAL 35 CO 0.01 -0.50 1.54 0.00 0.00 0.00 0.00 175.10 176.15 2pvg h ALA 36 N 13.55 0.81 -1.90 5.51 0.00 -1.08 -1.75 119.26 134.40 2pvg h ALA 36 Ca -0.32 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.45 2pvg h ALA 36 Cb 1.17 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 2pvg h ALA 36 CO 1.08 0.41 0.61 0.00 0.00 0.00 0.00 179.25 181.35 2pvg s ALA 37 N -3.11 -1.92 -0.58 0.00 0.00 -1.16 -4.91 121.76 110.07 2pvg s ALA 37 Ca 0.04 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.35 2pvg s ALA 37 Cb 0.07 0.06 0.18 0.00 0.00 0.00 0.00 23.12 23.44 2pvg s ALA 37 CO 0.71 -0.60 0.47 0.28 0.00 0.00 0.00 175.76 176.62 2pvg n VAL 38 N -0.06 0.56 -1.53 0.00 0.31 -1.26 -1.21 118.33 115.15 2pvg n VAL 38 Ca -0.06 -4.35 -0.55 0.00 -0.01 0.00 0.00 64.34 59.37 2pvg n VAL 38 Cb 0.60 -1.98 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 2pvg n VAL 38 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2pvg n LEU 39 N 2.11 2.05 0.00 7.52 4.77 -1.15 -4.68 117.00 127.62 2pvg n LEU 39 Ca 0.24 0.74 0.00 0.00 -0.03 0.00 0.00 56.01 56.97 2pvg n LEU 39 Cb 0.41 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.35 2pvg n LEU 39 CO 0.21 -0.60 0.00 0.35 -1.33 0.00 0.00 177.39 176.02 2pvg n THR 40 N 5.96 0.00 -3.77 -5.08 -2.24 -1.26 -4.64 114.28 103.24 2pvg n THR 40 Ca 0.37 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.05 2pvg n THR 40 Cb 0.14 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 2pvg n THR 40 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pvg s GLY 41 N -0.90 -0.01 -0.35 3.38 0.00 -1.26 -1.91 107.32 106.27 2pvg s GLY 41 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2pvg s GLY 41 CO 0.00 -0.36 0.15 0.86 0.00 0.00 0.00 173.10 173.75 2pvg s TRP 42 N -3.88 1.64 -1.26 1.90 -0.00 0.39 -4.82 118.94 112.90 2pvg s TRP 42 Ca 0.10 -1.90 -0.03 0.00 -0.00 0.00 0.00 56.10 54.27 2pvg s TRP 42 Cb -0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 33.47 31.82 2pvg s TRP 42 CO -0.03 -0.84 1.05 1.04 -0.00 0.00 0.00 176.95 178.17 2pvg n GLN 43 N 4.38 -6.99 0.00 5.86 6.02 -1.26 -2.67 117.38 122.72 2pvg n GLN 43 Ca 0.03 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 2pvg n GLN 43 Cb 0.39 -5.85 0.00 0.00 1.02 0.00 0.00 30.24 25.80 2pvg n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pvg n GLY 44 N -1.42 2.55 3.74 1.08 0.00 -1.26 -5.03 105.19 104.85 2pvg n GLY 44 Ca -0.19 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2pvg n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pvg s ARG 45 N 0.00 2.70 0.27 1.61 0.52 -1.09 -4.97 118.95 118.00 2pvg s ARG 45 Ca 0.00 2.05 -0.30 0.00 -0.52 0.00 0.00 55.73 56.97 2pvg s ARG 45 Cb 0.00 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.46 2pvg s ARG 45 CO 0.00 -1.48 1.04 -1.25 0.02 0.00 0.00 175.30 173.64 2pvg s PRO 46 N -3.30 4.71 0.03 3.54 0.04 -1.26 -0.46 135.00 138.29 2pvg s PRO 46 Ca 0.80 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.59 2pvg s PRO 46 Cb -0.37 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 2pvg s PRO 46 CO 0.40 0.31 -0.15 0.42 0.04 0.00 0.00 177.00 178.02 2pvg s ILE 47 N -1.18 3.04 -0.54 0.56 -1.09 -0.80 -4.78 121.20 116.42 2pvg s ILE 47 Ca 0.43 -1.05 0.03 0.00 -2.23 0.00 0.00 60.65 57.84 2pvg s ILE 47 Cb -0.30 -2.29 0.42 0.00 -1.58 0.00 0.00 42.46 38.71 2pvg s ILE 47 CO 0.38 0.37 1.47 -1.54 -1.23 0.00 0.00 174.94 174.38 2pvg n SER 48 N 1.59 5.82 -4.74 3.58 3.41 -1.26 -4.76 113.62 117.26 2pvg n SER 48 Ca -0.16 -3.76 -0.40 0.00 -0.26 0.00 0.00 58.87 54.29 2pvg n SER 48 Cb 0.52 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2pvg n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvg s ALA 49 N -3.72 3.36 -2.49 7.33 0.00 -1.26 -4.96 121.76 120.02 2pvg s ALA 49 Ca 0.52 0.28 0.26 0.00 0.00 0.00 0.00 51.96 53.02 2pvg s ALA 49 Cb 0.43 -3.00 0.70 0.00 0.00 0.00 0.00 23.12 21.25 2pvg s ALA 49 CO -0.17 0.06 1.54 0.27 0.00 0.00 0.00 175.76 177.45 2pvg n ASN 50 N 2.85 1.87 -3.20 0.00 0.23 -1.26 -4.30 115.26 111.45 2pvg n ASN 50 Ca -0.02 -1.55 -0.24 0.00 -0.53 0.00 0.00 54.58 52.24 2pvg n ASN 50 Cb 0.50 0.05 -0.06 0.00 -2.08 0.00 0.00 39.78 38.20 2pvg n ASN 50 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pvg n LEU 51 N 0.36 1.78 0.16 -4.53 4.77 -1.26 -4.78 117.00 113.49 2pvg n LEU 51 Ca 0.16 -5.09 -0.14 0.00 -0.03 0.00 0.00 56.01 50.91 2pvg n LEU 51 Cb 0.43 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2pvg n LEU 51 CO 0.18 2.17 0.77 1.55 -1.33 0.00 0.00 177.39 180.73 2pvg h PRO 52 N 3.63 -0.36 -5.53 3.23 0.13 -1.74 -3.35 132.00 128.01 2pvg h PRO 52 Ca 0.12 0.02 -0.37 0.00 -0.87 0.00 0.00 66.00 64.90 2pvg h PRO 52 Cb 0.80 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2pvg h PRO 52 CO 0.61 -0.24 1.33 0.28 -0.23 0.00 0.00 178.00 179.75 2pvg n VAL 53 N -5.27 -0.07 -3.16 1.56 0.31 -1.06 -2.93 118.33 107.72 2pvg n VAL 53 Ca -0.09 -0.72 -0.39 0.00 -0.01 0.00 0.00 64.34 63.12 2pvg n VAL 53 Cb 0.18 -2.56 -0.06 0.00 -0.91 0.00 0.00 33.84 30.49 2pvg n VAL 53 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2pvg s LEU 54 N 12.60 4.21 -0.07 7.52 2.96 -0.35 -0.14 118.68 145.41 2pvg s LEU 54 Ca 0.99 0.88 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 2pvg s LEU 54 Cb -0.20 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.62 2pvg s LEU 54 CO 0.24 -0.18 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.23 2pvg s VAL 55 N 1.40 1.49 -0.13 1.68 1.01 0.37 -0.40 120.40 125.82 2pvg s VAL 55 Ca 0.29 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2pvg s VAL 55 Cb -0.16 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2pvg s VAL 55 CO 0.12 0.43 0.21 -0.75 0.00 0.00 0.00 175.10 175.11 2pvg s LYS 56 N 0.41 3.88 0.00 2.72 2.20 -0.77 -0.93 119.74 127.25 2pvg s LYS 56 Ca -0.13 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 2pvg s LYS 56 Cb -0.15 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2pvg s LYS 56 CO 0.05 0.52 0.00 1.19 -0.36 0.00 0.00 175.35 176.75 2pvg n PHE 57 N 2.72 -0.12 -1.69 4.03 3.01 0.18 -2.77 117.46 122.81 2pvg n PHE 57 Ca -0.16 0.00 -0.60 0.00 1.01 0.00 0.00 57.45 57.70 2pvg n PHE 57 Cb 0.53 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.92 2pvg n PHE 57 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2pvg n GLU 58 N -0.04 0.73 0.00 -1.08 1.02 -1.26 -4.37 120.64 115.64 2pvg n GLU 58 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2pvg n GLU 58 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 2pvg n GLU 58 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pvg n GLN 59 N 4.36 0.00 -2.22 3.49 6.02 -1.26 -3.84 117.38 123.93 2pvg n GLN 59 Ca 0.26 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.83 2pvg n GLN 59 Cb 0.08 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.34 2pvg n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2pvg n ALA 60 N 10.15 5.18 -3.65 -1.58 0.00 -1.26 -4.87 120.51 124.48 2pvg n ALA 60 Ca 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 53.44 49.26 2pvg n ALA 60 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 19.45 16.21 2pvg n ALA 60 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2pvg s PHE 61 N 1.57 -1.26 0.25 0.00 5.36 -1.25 -4.80 117.98 117.85 2pvg s PHE 61 Ca 0.43 2.27 0.01 0.00 -0.96 0.00 0.00 56.93 58.68 2pvg s PHE 61 Cb 0.10 0.75 -0.05 0.00 -0.34 0.00 0.00 43.02 43.48 2pvg s PHE 61 CO -0.02 -0.63 0.09 -1.59 -1.46 0.00 0.00 175.22 171.61 2pvg s LYS 62 N 2.55 1.38 -0.13 10.12 -2.85 -1.26 0.47 119.74 130.02 2pvg s LYS 62 Ca -0.07 -1.74 -0.30 0.00 -1.00 0.00 0.00 55.97 52.86 2pvg s LYS 62 Cb -0.10 -0.24 0.10 0.00 -2.06 0.00 0.00 37.83 35.53 2pvg s LYS 62 CO -0.19 -0.29 0.86 0.00 0.10 0.00 0.00 175.35 175.83 2pvg s ALA 63 N -3.76 -1.86 0.19 0.59 0.00 -0.10 -4.96 121.76 111.85 2pvg s ALA 63 Ca 0.37 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.74 2pvg s ALA 63 Cb 0.08 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 2pvg s ALA 63 CO 0.13 -0.33 0.53 -1.01 0.00 0.00 0.00 175.76 175.08 2pvg s HIS 64 N -1.00 3.48 0.13 0.00 3.76 -1.26 -0.48 115.29 119.92 2pvg s HIS 64 Ca -0.05 0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 55.72 2pvg s HIS 64 Cb -0.01 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 2pvg s HIS 64 CO 0.05 0.33 0.08 -0.06 -0.85 0.00 0.00 174.74 174.29 2pvg s PHE 65 N -1.70 0.76 0.12 1.40 0.40 0.80 -4.96 117.98 114.79 2pvg s PHE 65 Ca 0.44 -1.14 -0.08 0.00 -0.60 0.00 0.00 56.93 55.54 2pvg s PHE 65 Cb -0.12 -0.41 -0.06 0.00 0.51 0.00 0.00 43.02 42.94 2pvg s PHE 65 CO 0.21 -0.54 0.41 1.03 0.70 0.00 0.00 175.22 177.02 2pvg s ARG 66 N -4.02 3.71 0.18 0.44 0.52 -1.26 -2.56 118.95 115.96 2pvg s ARG 66 Ca 0.22 0.09 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 2pvg s ARG 66 Cb 0.07 -2.91 0.09 0.00 0.52 0.00 0.00 34.95 32.73 2pvg s ARG 66 CO 0.00 0.50 1.57 -1.35 0.02 0.00 0.00 175.30 176.04 2pvg h PRO 67 N 3.27 -0.15 0.00 3.54 0.11 -1.93 0.14 132.00 136.98 2pvg h PRO 67 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pvg h PRO 67 Cb 1.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pvg h PRO 67 CO 0.69 -0.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 2pvg n ASP 68 N -5.42 0.00 0.15 -2.05 10.43 -1.26 -1.76 116.55 116.63 2pvg n ASP 68 Ca 0.04 0.44 0.04 0.00 2.57 0.00 0.00 54.79 57.88 2pvg n ASP 68 Cb 0.36 -0.45 0.04 0.00 1.84 0.00 0.00 41.12 42.91 2pvg n ASP 68 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2pvg h GLU 69 N 0.00 0.00 -6.54 -1.24 5.08 -1.11 -3.41 114.58 107.36 2pvg h GLU 69 Ca 0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 2pvg h GLU 69 Cb 0.05 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.13 2pvg h GLU 69 CO 0.00 0.39 -0.80 0.14 -1.00 0.00 0.00 179.01 177.74 2pvg s VAL 70 N -3.01 2.49 -0.03 3.13 -7.23 -0.72 -1.77 120.40 113.26 2pvg s VAL 70 Ca 0.04 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2pvg s VAL 70 Cb 0.07 -2.22 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 2pvg s VAL 70 CO 0.74 -0.15 -0.13 -0.89 -0.31 0.00 0.00 175.10 174.35 2pvg s THR 71 N -1.78 1.11 0.95 5.32 2.01 -0.01 -4.87 115.64 118.37 2pvg s THR 71 Ca 0.23 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.56 2pvg s THR 71 Cb -0.08 -0.96 0.16 0.00 0.01 0.00 0.00 72.50 71.64 2pvg s THR 71 CO 0.11 0.33 1.10 -0.22 -0.69 0.00 0.00 174.62 175.25 2pvg s LEU 72 N -0.01 2.29 0.00 4.42 2.96 -1.26 -1.26 118.68 125.83 2pvg s LEU 72 Ca -0.01 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 2pvg s LEU 72 Cb -0.09 -4.18 0.00 0.00 0.50 0.00 0.00 46.19 42.42 2pvg s LEU 72 CO 0.01 -3.16 0.11 -0.38 -1.32 0.00 0.00 176.35 171.61