#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gvp s ILE 2 N 0.00 4.90 -0.24 1.12 1.09 -1.26 -5.00 121.20 121.81 1gvp s ILE 2 Ca 0.00 1.88 -0.20 0.00 -1.10 0.00 0.00 60.65 61.23 1gvp s ILE 2 Cb 0.00 -4.24 -0.02 0.00 -1.06 0.00 0.00 42.46 37.14 1gvp s ILE 2 CO 0.00 0.15 0.59 -0.75 -0.10 0.00 0.00 174.94 174.83 1gvp s LYS 3 N 1.17 4.13 -0.05 2.79 2.20 -1.26 -4.10 119.74 124.62 1gvp s LYS 3 Ca 0.47 0.49 0.06 0.00 -0.36 0.00 0.00 55.97 56.63 1gvp s LYS 3 Cb -0.20 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1gvp s LYS 3 CO 0.23 -0.34 -0.24 0.08 -0.36 0.00 0.00 175.35 174.72 1gvp s VAL 4 N 2.25 2.18 -0.09 4.02 1.01 -0.49 -1.32 120.40 127.96 1gvp s VAL 4 Ca 0.25 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1gvp s VAL 4 Cb -0.16 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1gvp s VAL 4 CO 0.09 0.57 -0.13 -0.70 0.00 0.00 0.00 175.10 174.93 1gvp s GLU 5 N -0.30 1.90 -0.45 2.72 2.12 0.29 -0.50 118.70 124.48 1gvp s GLU 5 Ca 0.01 -0.45 -0.18 0.00 0.36 0.00 0.00 54.97 54.71 1gvp s GLU 5 Cb -0.13 -1.64 0.03 0.00 0.26 0.00 0.00 34.13 32.66 1gvp s GLU 5 CO 0.02 -0.06 0.51 0.42 -0.54 0.00 0.00 175.26 175.62 1gvp s ILE 6 N 0.96 5.01 0.89 -3.70 -1.09 -0.04 -1.20 121.20 122.02 1gvp s ILE 6 Ca -0.08 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.86 1gvp s ILE 6 Cb -0.15 -4.13 0.13 0.00 -1.58 0.00 0.00 42.46 36.72 1gvp s ILE 6 CO -0.00 -0.56 1.11 -0.54 -1.23 0.00 0.00 174.94 173.72 1gvp s LYS 7 N 2.32 1.30 0.42 2.79 -0.14 -1.26 -1.09 119.74 124.07 1gvp s LYS 7 Ca 0.14 1.27 0.17 0.00 -1.36 0.00 0.00 55.97 56.18 1gvp s LYS 7 Cb -0.18 -1.78 1.06 0.00 -1.68 0.00 0.00 37.83 35.26 1gvp s LYS 7 CO 0.13 -2.35 1.88 -1.35 -0.76 0.00 0.00 175.35 172.91 1gvp h PRO 8 N -1.65 0.41 0.00 -1.68 0.11 -1.98 -1.65 132.00 125.55 1gvp h PRO 8 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gvp h PRO 8 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1gvp h PRO 8 CO 0.47 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.40 1gvp n SER 9 N -4.50 0.19 -0.61 -2.05 3.41 -1.26 -3.35 113.62 105.44 1gvp n SER 9 Ca 0.17 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.38 1gvp n SER 9 Cb 0.63 -0.58 0.15 0.00 -0.26 0.00 0.00 64.21 64.14 1gvp n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gvp n GLN 10 N -1.70 2.88 0.00 4.33 6.02 -0.62 -4.67 117.38 123.62 1gvp n GLN 10 Ca 0.03 -2.05 0.05 0.00 -0.01 0.00 0.00 57.00 55.03 1gvp n GLN 10 Cb 0.20 -1.27 0.23 0.00 1.02 0.00 0.00 30.24 30.43 1gvp n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gvp n ALA 11 N 0.44 1.49 -2.80 -1.58 0.00 -1.21 -4.61 120.51 112.24 1gvp n ALA 11 Ca 0.11 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.21 1gvp n ALA 11 Cb 0.43 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 1gvp n ALA 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1gvp s GLN 12 N -3.00 3.00 0.30 0.00 2.00 -1.26 -4.80 119.66 115.90 1gvp s GLN 12 Ca 0.05 -0.62 0.08 0.00 -2.00 0.00 0.00 55.36 52.87 1gvp s GLN 12 Cb 0.07 -2.80 -0.04 0.00 0.80 0.00 0.00 33.01 31.05 1gvp s GLN 12 CO 0.20 0.58 0.19 -0.59 -0.50 0.00 0.00 175.29 175.17 1gvp s PHE 13 N -1.39 2.88 0.28 1.67 -0.71 -1.26 -4.67 117.98 114.78 1gvp s PHE 13 Ca 0.30 -0.26 0.10 0.00 -1.04 0.00 0.00 56.93 56.03 1gvp s PHE 13 Cb -0.12 -1.56 -0.05 0.00 -1.21 0.00 0.00 43.02 40.08 1gvp s PHE 13 CO 0.22 0.38 -0.07 0.95 -1.34 0.00 0.00 175.22 175.36 1gvp s THR 14 N -2.29 3.04 -0.10 -4.49 -4.23 -0.53 -4.92 115.64 102.13 1gvp s THR 14 Ca 0.37 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 1gvp s THR 14 Cb -0.06 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 1gvp s THR 14 CO 0.24 -0.36 -0.24 -0.89 -0.54 0.00 0.00 174.62 172.83 1gvp s THR 15 N -2.41 2.03 -0.05 3.99 2.01 -1.26 -1.36 115.64 118.60 1gvp s THR 15 Ca 0.31 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.27 1gvp s THR 15 Cb -0.05 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1gvp s THR 15 CO 0.18 0.55 0.14 -0.13 -0.69 0.00 0.00 174.62 174.67 1gvp s ARG 16 N 0.31 3.33 0.32 4.92 0.52 0.19 -4.95 118.95 123.60 1gvp s ARG 16 Ca -0.18 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1gvp s ARG 16 Cb -0.18 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1gvp s ARG 16 CO 0.08 0.70 0.11 -1.12 0.02 0.00 0.00 175.30 175.10 1gvp s SER 17 N -1.55 1.98 0.00 0.23 0.01 -1.26 -0.42 113.70 112.69 1gvp s SER 17 Ca 0.22 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1gvp s SER 17 Cb -0.12 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1gvp s SER 17 CO 0.12 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1gvp n GLY 18 N -0.66 -0.94 2.80 3.44 0.00 -0.67 -4.97 105.19 104.19 1gvp n GLY 18 Ca -0.02 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.76 1gvp n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gvp s VAL 19 N -3.00 0.07 0.54 1.61 1.01 -1.26 0.06 120.40 119.42 1gvp s VAL 19 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 1gvp s VAL 19 Cb 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.14 1gvp s VAL 19 CO 0.00 0.12 1.26 -0.24 0.00 0.00 0.00 175.10 176.23 1gvp n SER 20 N 4.14 2.23 0.24 3.32 2.88 0.42 -4.90 113.62 121.96 1gvp n SER 20 Ca -0.27 0.96 0.18 0.00 -1.33 0.00 0.00 58.87 58.41 1gvp n SER 20 Cb 0.50 -1.52 0.87 0.00 -0.75 0.00 0.00 64.21 63.31 1gvp n SER 20 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1gvp h ARG 21 N 1.32 0.00 -0.39 -1.46 3.08 -2.02 0.21 114.38 115.12 1gvp h ARG 21 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 1gvp h ARG 21 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1gvp h ARG 21 CO 0.56 0.00 0.00 0.94 -1.07 0.00 0.00 179.97 180.40 1gvp n GLN 22 N -3.40 1.50 0.00 0.04 0.00 -1.26 -4.96 117.38 109.30 1gvp n GLN 22 Ca 0.01 -0.58 0.00 0.00 -0.00 0.00 0.00 57.00 56.42 1gvp n GLN 22 Cb 0.36 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.31 1gvp n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gvp n GLY 23 N 0.55 2.66 3.60 1.69 0.00 0.75 -5.04 105.19 109.40 1gvp n GLY 23 Ca 0.05 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1gvp n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gvp s LYS 24 N 0.00 3.16 0.15 1.61 2.20 -1.25 -4.48 119.74 121.12 1gvp s LYS 24 Ca 0.00 2.05 -0.31 0.00 -0.36 0.00 0.00 55.97 57.34 1gvp s LYS 24 Cb 0.00 -4.37 -0.10 0.00 -1.51 0.00 0.00 37.83 31.85 1gvp s LYS 24 CO 0.00 -2.07 1.72 -1.25 -0.36 0.00 0.00 175.35 173.39 1gvp s PRO 25 N 6.29 4.16 0.28 4.03 0.04 -1.26 -0.44 135.00 148.10 1gvp s PRO 25 Ca 1.00 2.51 0.09 0.00 0.04 0.00 0.00 61.00 64.64 1gvp s PRO 25 Cb -0.33 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1gvp s PRO 25 CO 0.35 -0.75 0.04 1.52 0.04 0.00 0.00 177.00 178.20 1gvp s TYR 26 N 1.93 2.74 -0.05 0.56 -0.85 0.11 -4.95 117.35 116.83 1gvp s TYR 26 Ca 0.76 -0.24 -0.02 0.00 -0.52 0.00 0.00 57.07 57.05 1gvp s TYR 26 Cb -0.46 -1.28 0.04 0.00 0.38 0.00 0.00 41.96 40.64 1gvp s TYR 26 CO 0.33 0.57 0.11 0.45 -1.52 0.00 0.00 175.55 175.49 1gvp s SER 27 N -3.72 0.36 -0.08 -0.18 0.15 -1.26 -1.67 113.70 107.30 1gvp s SER 27 Ca 0.32 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.21 1gvp s SER 27 Cb -0.06 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1gvp s SER 27 CO 0.21 -0.19 -0.17 -0.76 1.20 0.00 0.00 173.24 173.53 1gvp s LEU 28 N 1.60 1.83 -0.16 3.45 1.43 0.44 -4.98 118.68 122.30 1gvp s LEU 28 Ca -0.04 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 1gvp s LEU 28 Cb -0.12 -1.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 1gvp s LEU 28 CO -0.05 0.08 0.28 0.20 0.23 0.00 0.00 176.35 177.10 1gvp s ASN 29 N 0.57 6.43 -0.01 2.29 0.02 -1.26 -0.63 114.94 122.34 1gvp s ASN 29 Ca -0.15 0.50 0.06 0.00 -1.02 0.00 0.00 52.86 52.25 1gvp s ASN 29 Cb -0.17 -2.17 -0.02 0.00 0.02 0.00 0.00 41.25 38.91 1gvp s ASN 29 CO 0.05 0.12 -0.20 -1.61 0.02 0.00 0.00 177.10 175.48 1gvp s GLU 30 N 0.38 1.58 0.05 -0.60 2.02 -0.46 -1.19 118.70 120.48 1gvp s GLU 30 Ca 0.16 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1gvp s GLU 30 Cb -0.13 -1.55 -0.03 0.00 0.10 0.00 0.00 34.13 32.53 1gvp s GLU 30 CO 0.04 0.42 -0.10 -1.14 0.02 0.00 0.00 175.26 174.50 1gvp s GLN 31 N -0.57 0.63 0.29 1.61 0.74 -0.68 -1.45 119.66 120.23 1gvp s GLN 31 Ca 0.08 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.64 1gvp s GLN 31 Cb -0.08 -0.49 -0.05 0.00 1.10 0.00 0.00 33.01 33.50 1gvp s GLN 31 CO -0.00 0.10 0.54 -0.51 -0.55 0.00 0.00 175.29 174.86 1gvp s LEU 32 N -1.59 4.06 0.29 3.68 1.43 -1.26 -0.82 118.68 124.46 1gvp s LEU 32 Ca -0.07 0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 53.52 1gvp s LEU 32 Cb -0.10 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.68 1gvp s LEU 32 CO 0.01 -0.20 0.61 0.00 0.23 0.00 0.00 176.35 176.99 1gvp s TYR 34 N -3.67 2.84 -0.13 0.00 2.02 -0.34 -1.20 117.35 116.87 1gvp s TYR 34 Ca 0.18 -0.62 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 1gvp s TYR 34 Cb -0.03 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1gvp s TYR 34 CO 0.10 -0.20 -0.21 0.08 -1.57 0.00 0.00 175.55 173.75 1gvp s VAL 35 N 0.40 2.24 -0.49 0.71 1.01 0.19 -0.54 120.40 123.91 1gvp s VAL 35 Ca -0.09 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 1gvp s VAL 35 Cb -0.16 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1gvp s VAL 35 CO 0.05 0.54 0.99 -0.62 0.00 0.00 0.00 175.10 176.06 1gvp s ASP 36 N 0.66 6.48 -0.04 3.32 2.15 -0.44 -0.81 116.67 127.99 1gvp s ASP 36 Ca -0.10 0.07 0.19 0.00 0.43 0.00 0.00 52.55 53.14 1gvp s ASP 36 Cb -0.16 -2.47 0.60 0.00 -0.30 0.00 0.00 42.92 40.59 1gvp s ASP 36 CO 0.02 -1.16 1.50 0.18 -0.17 0.00 0.00 175.17 175.54 1gvp n LEU 37 N 7.45 3.79 0.00 -1.34 4.32 -1.26 -4.52 117.00 125.44 1gvp n LEU 37 Ca 0.06 -1.90 0.00 0.00 -0.02 0.00 0.00 56.01 54.15 1gvp n LEU 37 Cb 0.48 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1gvp n LEU 37 CO 0.66 0.83 0.00 0.61 -1.22 0.00 0.00 177.39 178.26 1gvp n GLY 38 N 1.37 0.38 0.74 -0.72 0.00 -1.26 -5.08 105.19 100.62 1gvp n GLY 38 Ca 0.22 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.14 1gvp n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gvp n ASN 39 N 2.00 0.16 -0.14 1.61 3.02 -1.26 -4.99 115.26 115.65 1gvp n ASN 39 Ca 0.00 -1.17 -0.08 0.00 -0.03 0.00 0.00 54.58 53.31 1gvp n ASN 39 Cb 0.11 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1gvp n ASN 39 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1gvp h GLU 40 N 0.00 -0.25 -5.74 3.52 4.39 -2.03 -3.43 114.58 111.03 1gvp h GLU 40 Ca -0.07 0.02 -0.51 0.00 0.34 0.00 0.00 59.36 59.14 1gvp h GLU 40 Cb 0.23 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 28.80 1gvp h GLU 40 CO 0.06 -0.17 -0.73 0.71 -1.16 0.00 0.00 179.01 177.73 1gvp s TYR 41 N -5.95 1.95 0.81 4.33 2.02 -1.26 -5.14 117.35 114.11 1gvp s TYR 41 Ca -0.15 -0.53 -0.13 0.00 -0.37 0.00 0.00 57.07 55.89 1gvp s TYR 41 Cb 0.13 -0.94 0.07 0.00 -0.40 0.00 0.00 41.96 40.82 1gvp s TYR 41 CO 0.67 0.45 1.08 -2.30 -1.57 0.00 0.00 175.55 173.88 1gvp n PRO 42 N -0.51 0.15 -4.08 -1.71 -0.02 -1.26 -4.78 135.00 122.79 1gvp n PRO 42 Ca -0.07 0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1gvp n PRO 42 Cb 0.61 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 1gvp n PRO 42 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1gvp s VAL 43 N -2.13 4.42 -0.09 -1.45 -7.23 0.00 -4.84 120.40 109.09 1gvp s VAL 43 Ca 0.71 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.72 1gvp s VAL 43 Cb -0.29 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 1gvp s VAL 43 CO 0.53 0.04 0.73 -0.22 -0.31 0.00 0.00 175.10 175.86 1gvp s LEU 44 N -2.64 4.29 -0.03 1.32 0.20 -1.26 -0.64 118.68 119.92 1gvp s LEU 44 Ca 0.29 1.19 0.04 0.00 0.69 0.00 0.00 54.13 56.34 1gvp s LEU 44 Cb -0.11 -3.12 -0.00 0.00 -0.43 0.00 0.00 46.19 42.53 1gvp s LEU 44 CO 0.22 -0.17 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.28 1gvp s VAL 45 N 1.08 1.16 -0.20 1.68 1.01 -0.34 -4.98 120.40 119.81 1gvp s VAL 45 Ca 0.38 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1gvp s VAL 45 Cb -0.18 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1gvp s VAL 45 CO 0.17 0.34 0.44 -0.75 0.00 0.00 0.00 175.10 175.31 1gvp s LYS 46 N 0.05 4.18 -0.06 2.72 2.20 -1.26 -1.29 119.74 126.27 1gvp s LYS 46 Ca -0.02 0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 55.72 1gvp s LYS 46 Cb -0.10 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1gvp s LYS 46 CO 0.01 -0.08 0.38 0.42 -0.36 0.00 0.00 175.35 175.72 1gvp s ILE 47 N 1.42 5.14 -0.29 5.43 1.01 -0.00 -4.97 121.20 128.93 1gvp s ILE 47 Ca 0.21 0.76 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 1gvp s ILE 47 Cb -0.15 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1gvp s ILE 47 CO 0.09 0.50 0.14 -0.89 0.00 0.00 0.00 174.94 174.78 1gvp s THR 48 N -0.47 4.65 0.69 2.92 2.01 -1.26 -1.69 115.64 122.49 1gvp s THR 48 Ca 0.22 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.81 1gvp s THR 48 Cb -0.15 -3.30 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1gvp s THR 48 CO 0.10 0.16 1.12 -0.76 -0.69 0.00 0.00 174.62 174.55 1gvp s LEU 49 N 1.64 3.32 0.60 4.42 1.02 -0.33 -4.77 118.68 124.58 1gvp s LEU 49 Ca 0.05 2.02 -0.15 0.00 0.02 0.00 0.00 54.13 56.07 1gvp s LEU 49 Cb -0.16 -4.55 -0.03 0.00 0.02 0.00 0.00 46.19 41.46 1gvp s LEU 49 CO 0.06 -1.80 1.06 -1.81 0.02 0.00 0.00 176.35 173.89 1gvp s ASP 50 N -2.63 5.72 -0.08 2.29 1.01 -1.26 -4.64 116.67 117.08 1gvp s ASP 50 Ca 0.67 1.81 -0.40 0.00 0.71 0.00 0.00 52.55 55.34 1gvp s ASP 50 Cb -0.21 -2.53 -0.18 0.00 1.01 0.00 0.00 42.92 41.01 1gvp s ASP 50 CO 0.44 -1.21 1.37 1.21 0.21 0.00 0.00 175.17 177.19 1gvp n GLU 51 N -2.14 0.68 -0.87 8.23 2.13 -1.26 -2.12 120.64 125.30 1gvp n GLU 51 Ca 0.09 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.15 1gvp n GLU 51 Cb 0.53 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.40 1gvp n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gvp n GLY 52 N 2.73 0.78 3.88 8.31 0.00 -1.26 -5.01 105.19 114.62 1gvp n GLY 52 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1gvp n GLY 52 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gvp s GLN 53 N -0.24 3.56 0.94 1.61 -2.07 -0.90 -5.09 119.66 117.47 1gvp s GLN 53 Ca 0.00 -0.03 -0.13 0.00 -1.82 0.00 0.00 55.36 53.38 1gvp s GLN 53 Cb 0.00 -3.16 0.16 0.00 -1.09 0.00 0.00 33.01 28.92 1gvp s GLN 53 CO 0.00 0.72 1.15 -1.25 -1.32 0.00 0.00 175.29 174.59 1gvp s PRO 54 N -1.30 0.90 0.34 9.60 0.04 -1.26 -4.81 135.00 138.51 1gvp s PRO 54 Ca 0.21 0.22 -0.28 0.00 0.04 0.00 0.00 61.00 61.18 1gvp s PRO 54 Cb -0.13 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 1gvp s PRO 54 CO 0.10 -2.35 1.34 0.00 0.04 0.00 0.00 177.00 176.13 1gvp n ALA 55 N -3.85 1.49 -1.86 8.56 0.00 -1.26 -4.94 120.51 118.64 1gvp n ALA 55 Ca 0.08 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.46 1gvp n ALA 55 Cb 0.59 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 1gvp n ALA 55 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1gvp s TYR 56 N -0.99 2.98 0.62 0.00 2.02 -1.26 -5.02 117.35 115.71 1gvp s TYR 56 Ca 0.56 0.69 -0.17 0.00 -0.37 0.00 0.00 57.07 57.78 1gvp s TYR 56 Cb -0.56 -3.96 -0.02 0.00 -0.40 0.00 0.00 41.96 37.02 1gvp s TYR 56 CO 0.61 -3.42 1.17 0.00 -1.57 0.00 0.00 175.55 172.34 1gvp s ALA 57 N 0.73 2.49 0.45 3.71 0.00 -1.26 -4.74 121.76 123.15 1gvp s ALA 57 Ca 0.67 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.26 1gvp s ALA 57 Cb -0.45 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 1gvp s ALA 57 CO 0.36 -1.22 0.90 -2.30 0.00 0.00 0.00 175.76 173.51 1gvp n PRO 58 N -1.89 1.11 -0.81 0.00 -0.02 -1.26 -4.76 135.00 127.37 1gvp n PRO 58 Ca 0.12 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1gvp n PRO 58 Cb 0.50 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1gvp n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gvp n GLY 59 N 1.33 0.33 3.79 -1.23 0.00 -0.25 -4.94 105.19 104.22 1gvp n GLY 59 Ca 0.10 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 1gvp n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gvp s LEU 60 N 0.00 4.31 0.08 0.99 1.43 -1.26 -0.86 118.68 123.37 1gvp s LEU 60 Ca 0.00 0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1gvp s LEU 60 Cb 0.00 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1gvp s LEU 60 CO 0.00 0.24 -0.03 -0.31 0.23 0.00 0.00 176.35 176.49 1gvp s TYR 61 N -0.22 0.71 0.39 0.29 1.51 0.35 -1.52 117.35 118.85 1gvp s TYR 61 Ca 0.15 -1.05 0.04 0.00 -1.01 0.00 0.00 57.07 55.20 1gvp s TYR 61 Cb -0.13 -0.45 -0.05 0.00 -0.11 0.00 0.00 41.96 41.22 1gvp s TYR 61 CO 0.04 -0.33 0.06 -0.08 -1.11 0.00 0.00 175.55 174.13 1gvp s THR 62 N -3.84 1.11 -0.16 -0.71 -1.32 -0.13 -1.39 115.64 109.20 1gvp s THR 62 Ca 0.12 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.35 1gvp s THR 62 Cb 0.07 -2.58 -0.02 0.00 -1.51 0.00 0.00 72.50 68.46 1gvp s THR 62 CO -0.06 0.00 0.79 -0.69 -2.21 0.00 0.00 174.62 172.45 1gvp s VAL 63 N -3.12 4.92 0.24 5.08 1.01 -1.26 -1.31 120.40 125.95 1gvp s VAL 63 Ca 0.27 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 1gvp s VAL 63 Cb 0.06 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1gvp s VAL 63 CO 0.13 0.06 0.98 -2.28 0.00 0.00 0.00 175.10 174.00 1gvp s HIS 64 N 1.98 3.88 0.34 5.22 5.04 0.58 -4.89 115.29 127.44 1gvp s HIS 64 Ca 0.37 1.85 0.15 0.00 -1.54 0.00 0.00 55.06 55.89 1gvp s HIS 64 Cb -0.17 -3.06 1.13 0.00 0.04 0.00 0.00 32.58 30.52 1gvp s HIS 64 CO 0.13 0.19 1.63 -0.07 -2.34 0.00 0.00 174.74 174.28 1gvp h LEU 65 N 4.21 0.38 0.00 8.88 3.38 -1.97 -0.90 115.31 129.28 1gvp h LEU 65 Ca -0.45 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1gvp h LEU 65 Cb 1.20 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1gvp h LEU 65 CO 0.68 -0.24 0.02 -1.54 0.09 0.00 0.00 178.44 177.45 1gvp n SER 66 N -5.15 0.00 0.26 -0.43 3.41 -1.26 -2.04 113.62 108.40 1gvp n SER 66 Ca 0.33 0.18 0.16 0.00 -0.26 0.00 0.00 58.87 59.27 1gvp n SER 66 Cb 1.05 -0.18 0.61 0.00 -0.26 0.00 0.00 64.21 65.43 1gvp n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gvp h SER 67 N 0.00 0.00 -3.10 4.04 0.02 -1.33 -3.44 113.55 109.73 1gvp h SER 67 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1gvp h SER 67 Cb 0.04 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 1gvp h SER 67 CO 0.00 0.00 -0.57 -0.36 -1.14 0.00 0.00 176.83 174.76 1gvp s PHE 68 N -3.58 3.28 0.11 3.45 0.08 -0.87 0.10 117.98 120.56 1gvp s PHE 68 Ca 0.02 0.12 -0.09 0.00 0.12 0.00 0.00 56.93 57.11 1gvp s PHE 68 Cb 0.09 -1.66 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 1gvp s PHE 68 CO 0.54 0.54 0.22 -1.59 -0.10 0.00 0.00 175.22 174.83 1gvp s LYS 69 N -2.44 0.95 -0.13 0.44 -2.85 0.29 -4.77 119.74 111.24 1gvp s LYS 69 Ca 0.31 -1.04 -0.26 0.00 -1.00 0.00 0.00 55.97 53.98 1gvp s LYS 69 Cb -0.12 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1gvp s LYS 69 CO 0.24 -0.32 0.84 0.08 0.10 0.00 0.00 175.35 176.28 1gvp s VAL 70 N -3.90 4.90 1.08 1.79 1.01 -1.26 -0.42 120.40 123.61 1gvp s VAL 70 Ca 0.09 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 63.57 1gvp s VAL 70 Cb 0.04 -4.15 0.24 0.00 0.00 0.00 0.00 36.38 32.51 1gvp s VAL 70 CO -0.07 0.07 1.17 -0.83 0.00 0.00 0.00 175.10 175.45 1gvp s GLY 71 N 1.08 1.64 0.28 4.51 0.00 0.11 -4.87 107.32 110.07 1gvp s GLY 71 Ca 0.40 -0.93 0.22 0.00 0.00 0.00 0.00 44.72 44.40 1gvp s GLY 71 CO 0.15 -0.14 1.66 0.61 0.00 0.00 0.00 173.10 175.38 1gvp n GLN 72 N -4.31 0.16 -0.69 2.90 10.64 -1.26 -1.58 117.38 123.24 1gvp n GLN 72 Ca 0.12 0.52 0.08 0.00 -1.83 0.00 0.00 57.00 55.90 1gvp n GLN 72 Cb 0.59 -1.90 0.34 0.00 -0.86 0.00 0.00 30.24 28.42 1gvp n GLN 72 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1gvp n PHE 73 N -2.22 1.58 -0.88 2.61 3.72 -1.26 -4.96 117.46 116.05 1gvp n PHE 73 Ca 0.00 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 1gvp n PHE 73 Cb 0.13 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 1gvp n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gvp n GLY 74 N 0.31 0.86 3.95 1.37 0.00 -0.61 -5.04 105.19 106.02 1gvp n GLY 74 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 1gvp n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gvp s SER 75 N -2.84 6.32 0.16 1.61 1.04 -1.26 -4.81 113.70 113.93 1gvp s SER 75 Ca 0.00 0.33 -0.30 0.00 0.48 0.00 0.00 55.95 56.46 1gvp s SER 75 Cb 0.00 -1.98 -0.08 0.00 0.10 0.00 0.00 66.02 64.06 1gvp s SER 75 CO 0.00 -0.18 1.25 -0.22 0.98 0.00 0.00 173.24 175.07 1gvp s LEU 76 N -4.03 4.42 0.20 2.42 2.96 -1.26 0.09 118.68 123.47 1gvp s LEU 76 Ca 0.38 2.26 0.11 0.00 -0.22 0.00 0.00 54.13 56.66 1gvp s LEU 76 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1gvp s LEU 76 CO 0.33 -0.46 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.64 1gvp s MET 77 N 0.13 1.46 -0.05 1.98 -1.94 0.44 -4.82 119.30 116.50 1gvp s MET 77 Ca 0.56 -1.52 -0.27 0.00 -1.71 0.00 0.00 55.69 52.74 1gvp s MET 77 Cb -0.34 -1.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.80 1gvp s MET 77 CO 0.35 0.35 0.87 0.42 -0.01 0.00 0.00 175.02 177.00 1gvp s ILE 78 N -1.91 4.92 -0.03 2.53 1.01 -1.26 -0.54 121.20 125.92 1gvp s ILE 78 Ca 0.20 1.80 -0.00 0.00 0.00 0.00 0.00 60.65 62.65 1gvp s ILE 78 Cb -0.07 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 1gvp s ILE 78 CO 0.09 0.16 0.04 -0.78 0.00 0.00 0.00 174.94 174.45 1gvp h ASP 79 N 6.89 -0.01 -3.54 3.58 3.58 0.39 -3.46 116.42 123.84 1gvp h ASP 79 Ca -0.38 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 56.86 1gvp h ASP 79 Cb 1.19 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.96 1gvp h ASP 79 CO 0.77 0.12 -0.53 -0.13 -2.88 0.00 0.00 179.24 176.60 1gvp s ARG 80 N -1.23 0.17 -0.45 0.28 0.52 -1.21 -5.07 118.95 111.95 1gvp s ARG 80 Ca -0.00 0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 55.31 1gvp s ARG 80 Cb 0.00 -0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.40 1gvp s ARG 80 CO 0.01 -0.11 1.80 -1.17 0.02 0.00 0.00 175.30 175.85 1gvp s LEU 81 N 0.80 3.43 -0.23 2.53 2.96 -1.26 -4.25 118.68 122.65 1gvp s LEU 81 Ca -0.06 0.88 -0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1gvp s LEU 81 Cb -0.07 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 1gvp s LEU 81 CO -0.04 -1.97 0.09 -0.13 -1.32 0.00 0.00 176.35 172.97 1gvp s ARG 82 N 6.20 3.82 0.13 1.98 0.52 -1.26 -4.83 118.95 125.51 1gvp s ARG 82 Ca 0.74 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.60 1gvp s ARG 82 Cb -0.18 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1gvp s ARG 82 CO 0.28 -0.03 0.06 -0.51 0.02 0.00 0.00 175.30 175.12 1gvp s LEU 83 N 1.23 3.59 0.06 2.53 1.43 -1.26 -0.31 118.68 125.95 1gvp s LEU 83 Ca 0.05 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1gvp s LEU 83 Cb -0.14 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1gvp s LEU 83 CO 0.04 0.12 -0.14 0.68 0.23 0.00 0.00 176.35 177.28 1gvp s VAL 84 N -1.57 1.11 0.40 -1.59 -7.23 -0.43 -4.80 120.40 106.29 1gvp s VAL 84 Ca 0.28 -1.23 -0.27 0.00 -1.81 0.00 0.00 61.98 58.96 1gvp s VAL 84 Cb -0.11 -1.05 -0.10 0.00 0.56 0.00 0.00 36.38 35.68 1gvp s VAL 84 CO 0.21 -0.17 1.43 -0.81 -0.31 0.00 0.00 175.10 175.44 1gvp n PRO 85 N 1.43 2.42 0.28 4.82 -0.04 -1.26 -0.95 135.00 141.70 1gvp n PRO 85 Ca -0.20 0.85 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 1gvp n PRO 85 Cb 0.54 -2.59 0.73 0.00 -0.04 0.00 0.00 33.50 32.14 1gvp n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gvp h ALA 86 N 2.63 1.24 0.00 0.55 0.00 -1.57 -3.42 119.26 118.68 1gvp h ALA 86 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1gvp h ALA 86 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1gvp h ALA 86 CO 0.63 -0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.27