#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hiv s GLN 2 N 0.00 3.04 -0.18 0.54 0.74 -1.26 -5.10 119.66 117.44 1hiv s GLN 2 Ca 0.00 -0.85 -0.01 0.00 0.05 0.00 0.00 55.36 54.55 1hiv s GLN 2 Cb 0.00 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.03 1hiv s GLN 2 CO 0.00 -0.36 -0.13 0.08 -0.55 0.00 0.00 175.29 174.33 1hiv s VAL 3 N 1.41 2.70 0.55 1.34 1.01 -1.26 -5.11 120.40 121.04 1hiv s VAL 3 Ca 0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1hiv s VAL 3 Cb -0.16 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1hiv s VAL 3 CO -0.03 0.49 0.85 0.42 0.00 0.00 0.00 175.10 176.84 1hiv s THR 4 N 1.18 4.14 -0.65 3.92 -4.23 -1.26 -5.01 115.64 113.72 1hiv s THR 4 Ca 0.02 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1hiv s THR 4 Cb -0.14 -3.61 0.52 0.00 1.34 0.00 0.00 72.50 70.60 1hiv s THR 4 CO -0.05 -0.61 1.43 0.18 -0.54 0.00 0.00 174.62 175.03 1hiv n LEU 5 N -2.45 3.87 0.25 4.79 4.77 -1.26 -4.43 117.00 122.54 1hiv n LEU 5 Ca 0.03 -2.55 0.09 0.00 -0.03 0.00 0.00 56.01 53.55 1hiv n LEU 5 Cb 0.57 -0.46 0.64 0.00 -2.33 0.00 0.00 43.42 41.83 1hiv n LEU 5 CO 0.53 0.72 0.98 -0.50 -1.33 0.00 0.00 177.39 177.80 1hiv h TRP 6 N 2.52 0.00 -1.04 -1.77 4.06 -2.06 -3.42 115.95 114.24 1hiv h TRP 6 Ca 0.00 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.31 1hiv h TRP 6 Cb 1.24 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.27 1hiv h TRP 6 CO 0.50 0.11 -0.54 -0.65 -3.56 0.00 0.00 178.44 174.30 1hiv s GLN 7 N -4.65 2.09 0.04 0.49 -0.21 -1.26 -5.10 119.66 111.06 1hiv s GLN 7 Ca -0.04 -2.29 -0.31 0.00 0.02 0.00 0.00 55.36 52.74 1hiv s GLN 7 Cb 0.15 -1.41 -0.06 0.00 1.00 0.00 0.00 33.01 32.69 1hiv s GLN 7 CO 0.65 -0.30 1.36 1.03 -2.12 0.00 0.00 175.29 175.91 1hiv s ARG 8 N -3.82 4.32 -0.94 2.91 0.52 -1.26 -4.92 118.95 115.76 1hiv s ARG 8 Ca 0.16 1.96 -0.22 0.00 -0.52 0.00 0.00 55.73 57.11 1hiv s ARG 8 Cb 0.04 -3.45 -0.12 0.00 0.52 0.00 0.00 34.95 31.94 1hiv s ARG 8 CO 0.08 -0.49 1.94 -0.35 0.02 0.00 0.00 175.30 176.50 1hiv n PRO 9 N 4.76 1.67 -3.40 3.54 -0.04 -1.26 -4.92 135.00 135.36 1hiv n PRO 9 Ca 0.12 -2.11 -0.38 0.00 -0.04 0.00 0.00 63.50 61.10 1hiv n PRO 9 Cb 0.44 -3.17 -0.06 0.00 -0.04 0.00 0.00 33.50 30.67 1hiv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hiv s LEU 10 N 3.88 4.34 0.22 1.53 1.43 -1.26 -1.24 118.68 127.58 1hiv s LEU 10 Ca 0.60 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1hiv s LEU 10 Cb 0.10 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1hiv s LEU 10 CO 0.11 0.12 0.03 0.68 0.23 0.00 0.00 176.35 177.52 1hiv s VAL 11 N 0.06 0.77 -0.08 -1.59 -7.23 -0.46 -4.95 120.40 106.91 1hiv s VAL 11 Ca 0.24 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.22 1hiv s VAL 11 Cb -0.15 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 1hiv s VAL 11 CO 0.10 -0.26 0.50 -0.89 -0.31 0.00 0.00 175.10 174.25 1hiv s THR 12 N -3.60 5.11 0.14 5.32 2.01 -1.26 -0.98 115.64 122.37 1hiv s THR 12 Ca 0.30 1.02 0.08 0.00 0.31 0.00 0.00 61.69 63.40 1hiv s THR 12 Cb 0.07 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1hiv s THR 12 CO 0.09 0.37 -0.18 0.27 -0.69 0.00 0.00 174.62 174.48 1hiv s ILE 13 N 0.26 1.70 -0.11 1.82 -4.36 0.44 -4.60 121.20 116.35 1hiv s ILE 13 Ca 0.27 -1.75 0.03 0.00 -0.26 0.00 0.00 60.65 58.93 1hiv s ILE 13 Cb -0.16 -1.69 0.01 0.00 1.25 0.00 0.00 42.46 41.87 1hiv s ILE 13 CO 0.12 -0.25 -0.20 -0.75 0.24 0.00 0.00 174.94 174.11 1hiv s LYS 14 N -2.47 2.65 -0.23 0.37 2.20 -0.25 -0.54 119.74 121.47 1hiv s LYS 14 Ca 0.11 -0.73 -0.18 0.00 -0.36 0.00 0.00 55.97 54.81 1hiv s LYS 14 Cb -0.07 -2.12 0.06 0.00 -1.51 0.00 0.00 37.83 34.20 1hiv s LYS 14 CO 0.05 0.04 0.60 -1.50 -0.36 0.00 0.00 175.35 174.18 1hiv s ILE 15 N 0.69 -0.00 -2.20 5.43 2.07 0.18 -1.20 121.20 126.16 1hiv s ILE 15 Ca -0.12 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1hiv s ILE 15 Cb -0.16 -0.85 0.00 0.00 0.13 0.00 0.00 42.46 41.58 1hiv s ILE 15 CO 0.02 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 1hiv n GLY 16 N 3.28 1.84 1.69 1.50 0.00 -1.26 0.71 105.19 112.94 1hiv n GLY 16 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1hiv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hiv n GLY 17 N -0.43 0.53 3.47 -0.02 0.00 -1.26 -5.06 105.19 102.43 1hiv n GLY 17 Ca -0.21 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1hiv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hiv s GLN 18 N -0.82 2.15 -0.02 1.61 -1.52 0.22 -5.12 119.66 116.16 1hiv s GLN 18 Ca 0.00 -0.94 -0.16 0.00 -1.95 0.00 0.00 55.36 52.31 1hiv s GLN 18 Cb 0.00 -2.23 -0.05 0.00 -0.22 0.00 0.00 33.01 30.50 1hiv s GLN 18 CO 0.00 0.55 0.44 -0.51 -0.25 0.00 0.00 175.29 175.52 1hiv s LEU 19 N -1.40 4.43 0.18 2.90 1.43 -1.26 -0.64 118.68 124.32 1hiv s LEU 19 Ca 0.15 0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1hiv s LEU 19 Cb -0.11 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 1hiv s LEU 19 CO 0.05 0.23 0.26 -0.54 0.23 0.00 0.00 176.35 176.59 1hiv s LYS 20 N -0.63 1.22 -0.10 1.70 1.02 0.30 -4.95 119.74 118.29 1hiv s LYS 20 Ca 0.25 -1.32 -0.04 0.00 0.02 0.00 0.00 55.97 54.88 1hiv s LYS 20 Cb -0.17 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1hiv s LYS 20 CO 0.13 -0.44 0.05 -2.00 -0.92 0.00 0.00 175.35 172.17 1hiv s GLU 21 N -4.03 3.20 0.01 1.68 2.12 -1.26 -0.42 118.70 119.99 1hiv s GLU 21 Ca 0.24 -0.32 -0.03 0.00 0.36 0.00 0.00 54.97 55.22 1hiv s GLU 21 Cb 0.04 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 1hiv s GLU 21 CO 0.05 0.70 0.04 0.00 -0.54 0.00 0.00 175.26 175.50 1hiv s ALA 22 N -0.84 -0.07 0.07 6.30 0.00 -0.15 -4.51 121.76 122.56 1hiv s ALA 22 Ca 0.13 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 1hiv s ALA 22 Cb -0.12 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 1hiv s ALA 22 CO 0.03 -0.16 0.59 -1.17 0.00 0.00 0.00 175.76 175.04 1hiv s LEU 23 N -1.28 4.51 -0.23 0.00 2.96 0.23 -1.35 118.68 123.52 1hiv s LEU 23 Ca -0.14 1.27 -0.21 0.00 -0.22 0.00 0.00 54.13 54.83 1hiv s LEU 23 Cb -0.08 -2.93 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1hiv s LEU 23 CO 0.00 0.24 0.67 -0.76 -1.32 0.00 0.00 176.35 175.18 1hiv s LEU 24 N -0.95 4.09 -0.24 -0.68 1.43 -0.37 0.13 118.68 122.09 1hiv s LEU 24 Ca 0.30 0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1hiv s LEU 24 Cb -0.20 -2.93 0.07 0.00 0.03 0.00 0.00 46.19 43.16 1hiv s LEU 24 CO 0.19 -0.37 0.01 -0.62 0.23 0.00 0.00 176.35 175.79 1hiv s ASP 25 N 1.36 3.66 0.06 2.29 -1.08 -0.29 -4.79 116.67 117.88 1hiv s ASP 25 Ca 0.29 -1.22 0.24 0.00 -0.52 0.00 0.00 52.55 51.34 1hiv s ASP 25 Cb -0.16 -0.97 0.98 0.00 -1.46 0.00 0.00 42.92 41.31 1hiv s ASP 25 CO 0.09 -0.30 1.76 0.35 0.52 0.00 0.00 175.17 177.59 1hiv n THR 26 N 4.79 0.45 1.52 1.71 -2.24 -1.26 -2.65 114.28 116.60 1hiv n THR 26 Ca -0.08 0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1hiv n THR 26 Cb 0.44 -0.71 0.45 0.00 -2.10 0.00 0.00 70.33 68.41 1hiv n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hiv n GLY 27 N 0.92 -0.20 3.34 3.38 0.00 -1.26 -4.81 105.19 106.55 1hiv n GLY 27 Ca 0.05 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1hiv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hiv s ALA 28 N -1.87 2.83 0.19 4.61 0.00 -1.09 -5.01 121.76 121.41 1hiv s ALA 28 Ca 0.31 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 1hiv s ALA 28 Cb 0.16 -1.66 0.11 0.00 0.00 0.00 0.00 23.12 21.72 1hiv s ALA 28 CO 0.25 -0.31 1.73 -0.44 0.00 0.00 0.00 175.76 176.99 1hiv h ASP 29 N 7.85 0.98 -2.44 0.00 3.32 -1.87 0.17 116.42 124.43 1hiv h ASP 29 Ca -0.39 -0.20 -0.55 0.00 0.02 0.00 0.00 57.03 55.91 1hiv h ASP 29 Cb 1.17 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 1hiv h ASP 29 CO 0.60 0.92 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.58 1hiv s ASP 30 N -6.29 3.21 -0.20 6.45 1.01 -1.26 -2.43 116.67 117.15 1hiv s ASP 30 Ca -0.12 -1.26 -0.20 0.00 0.71 0.00 0.00 52.55 51.68 1hiv s ASP 30 Cb 0.14 -0.25 -0.03 0.00 1.01 0.00 0.00 42.92 43.79 1hiv s ASP 30 CO 0.83 -0.37 0.58 -0.89 0.21 0.00 0.00 175.17 175.53 1hiv s THR 31 N -2.88 5.05 -0.16 -1.27 2.01 -1.26 -3.34 115.64 113.80 1hiv s THR 31 Ca 0.33 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.41 1hiv s THR 31 Cb 0.06 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.69 1hiv s THR 31 CO 0.15 0.13 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.38 1hiv s VAL 32 N 1.86 1.60 0.28 3.82 1.01 -0.93 -0.79 120.40 127.26 1hiv s VAL 32 Ca 0.26 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1hiv s VAL 32 Cb -0.16 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1hiv s VAL 32 CO 0.10 0.43 -0.05 -0.76 0.00 0.00 0.00 175.10 174.81 1hiv s LEU 33 N 1.47 2.99 0.81 3.92 1.43 0.13 -1.21 118.68 128.22 1hiv s LEU 33 Ca 0.04 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1hiv s LEU 33 Cb -0.13 -1.48 0.08 0.00 0.03 0.00 0.00 46.19 44.69 1hiv s LEU 33 CO -0.11 -0.03 1.09 -1.83 0.23 0.00 0.00 176.35 175.70 1hiv s GLU 34 N -3.64 1.94 -0.42 1.70 -1.05 -1.26 -1.06 118.70 114.92 1hiv s GLU 34 Ca 0.32 0.90 -0.43 0.00 -0.15 0.00 0.00 54.97 55.61 1hiv s GLU 34 Cb -0.05 -1.88 -0.18 0.00 -0.44 0.00 0.00 34.13 31.59 1hiv s GLU 34 CO 0.18 -1.79 1.81 0.39 0.95 0.00 0.00 175.26 176.80 1hiv n GLU 35 N -3.59 0.48 -3.58 -4.83 -0.58 -1.23 -4.57 120.64 102.74 1hiv n GLU 35 Ca 0.08 0.17 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1hiv n GLU 35 Cb 0.55 -1.79 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 1hiv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hiv s MET 36 N 4.06 1.07 -0.28 3.49 0.23 -1.26 -5.04 119.30 121.57 1hiv s MET 36 Ca 1.06 -0.39 -0.19 0.00 -1.03 0.00 0.00 55.69 55.14 1hiv s MET 36 Cb -1.30 0.48 -0.02 0.00 -1.53 0.00 0.00 34.83 32.46 1hiv s MET 36 CO 0.71 -0.40 0.57 -1.54 -2.03 0.00 0.00 175.02 172.33 1hiv s SER 37 N -2.29 6.48 0.12 -1.18 1.04 -1.26 -5.04 113.70 111.58 1hiv s SER 37 Ca -0.02 0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.97 1hiv s SER 37 Cb -0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1hiv s SER 37 CO -0.06 -0.37 -0.06 -0.76 0.98 0.00 0.00 173.24 172.97 1hiv s LEU 38 N 2.45 3.17 0.70 2.42 1.43 -1.26 -5.02 118.68 122.56 1hiv s LEU 38 Ca 0.23 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1hiv s LEU 38 Cb -0.15 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1hiv s LEU 38 CO 0.10 0.15 1.12 -2.84 0.23 0.00 0.00 176.35 175.12 1hiv s PRO 39 N -2.43 2.56 0.81 1.29 0.02 -1.26 -4.91 135.00 131.07 1hiv s PRO 39 Ca 0.24 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1hiv s PRO 39 Cb -0.11 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1hiv s PRO 39 CO 0.16 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 1hiv n GLY 40 N -0.46 -1.79 3.80 0.52 0.00 -1.26 -4.97 105.19 101.03 1hiv n GLY 40 Ca 0.11 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1hiv n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hiv s ARG 41 N 0.00 4.32 0.14 1.61 6.06 -1.26 -5.09 118.95 124.72 1hiv s ARG 41 Ca 0.00 0.88 0.04 0.00 -2.50 0.00 0.00 55.73 54.14 1hiv s ARG 41 Cb 0.00 -3.20 -0.04 0.00 0.06 0.00 0.00 34.95 31.77 1hiv s ARG 41 CO 0.00 0.59 -0.08 1.67 -2.50 0.00 0.00 175.30 174.98 1hiv s TRP 42 N -1.18 1.17 -0.02 5.12 1.48 -1.26 -4.46 118.94 119.79 1hiv s TRP 42 Ca 0.33 -0.82 0.03 0.00 -1.06 0.00 0.00 56.10 54.58 1hiv s TRP 42 Cb -0.20 -0.62 -0.00 0.00 -1.16 0.00 0.00 33.47 31.49 1hiv s TRP 42 CO 0.22 0.00 -0.10 0.15 -4.06 0.00 0.00 176.95 173.16 1hiv s LYS 43 N -3.78 0.98 0.44 3.25 -0.14 -0.90 -4.88 119.74 114.71 1hiv s LYS 43 Ca 0.16 -0.35 -0.25 0.00 -1.36 0.00 0.00 55.97 54.18 1hiv s LYS 43 Cb 0.04 -0.92 -0.08 0.00 -1.68 0.00 0.00 37.83 35.19 1hiv s LYS 43 CO -0.00 0.16 1.26 -2.14 -0.76 0.00 0.00 175.35 173.86 1hiv s PRO 44 N 0.04 3.81 0.14 -1.68 0.02 -1.26 0.24 135.00 136.31 1hiv s PRO 44 Ca -0.01 2.03 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 1hiv s PRO 44 Cb -0.07 -2.59 0.04 0.00 0.02 0.00 0.00 34.50 31.90 1hiv s PRO 44 CO 0.00 -0.58 0.45 0.21 -0.33 0.00 0.00 177.00 176.75 1hiv s LYS 45 N -2.45 1.14 -0.07 5.54 2.47 0.22 -4.86 119.74 121.72 1hiv s LYS 45 Ca 0.61 -0.68 0.02 0.00 -1.56 0.00 0.00 55.97 54.36 1hiv s LYS 45 Cb -0.35 0.50 -0.02 0.00 -1.46 0.00 0.00 37.83 36.49 1hiv s LYS 45 CO 0.44 -0.46 -0.13 -1.64 0.16 0.00 0.00 175.35 173.72 1hiv s MET 46 N -3.80 2.76 0.07 4.03 -1.94 -1.26 0.20 119.30 119.36 1hiv s MET 46 Ca 0.03 -0.67 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 1hiv s MET 46 Cb 0.01 -2.48 -0.04 0.00 2.01 0.00 0.00 34.83 34.34 1hiv s MET 46 CO -0.11 0.53 -0.07 0.96 -0.01 0.00 0.00 175.02 176.32 1hiv s ILE 47 N -0.47 0.60 0.16 2.53 -4.36 -0.19 -4.96 121.20 114.51 1hiv s ILE 47 Ca 0.06 -1.60 0.09 0.00 -0.26 0.00 0.00 60.65 58.94 1hiv s ILE 47 Cb -0.12 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 1hiv s ILE 47 CO 0.02 -0.70 -0.12 -0.83 0.24 0.00 0.00 174.94 173.55 1hiv s GLY 48 N -2.48 1.73 0.04 6.27 0.00 -1.26 -0.18 107.32 111.43 1hiv s GLY 48 Ca 0.03 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.33 1hiv s GLY 48 CO -0.03 -1.44 0.04 0.61 0.00 0.00 0.00 173.10 172.28 1hiv n GLY 49 N 0.31 3.45 0.27 0.20 0.00 -0.31 -4.99 105.19 104.12 1hiv n GLY 49 Ca -0.12 -1.53 0.16 0.00 0.00 0.00 0.00 46.02 44.53 1hiv n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1hiv h ILE 50 N 1.11 0.05 0.00 -0.61 -0.00 -2.02 -2.94 117.51 113.10 1hiv h ILE 50 Ca -0.03 -0.60 0.00 0.00 -0.00 0.00 0.00 64.86 64.23 1hiv h ILE 50 Cb 0.12 1.57 0.00 0.00 -0.00 0.00 0.00 36.82 38.52 1hiv h ILE 50 CO 0.04 0.02 -0.95 0.61 -0.00 0.00 0.00 178.15 177.86 1hiv n GLY 51 N 0.13 -1.35 0.00 0.16 0.00 -1.26 -5.10 105.19 97.77 1hiv n GLY 51 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1hiv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hiv n GLY 52 N 1.29 0.78 3.67 -0.02 0.00 -1.11 -5.10 105.19 104.68 1hiv n GLY 52 Ca 0.01 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.88 1hiv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hiv s PHE 53 N -2.91 3.18 0.26 1.61 0.40 -1.26 -1.16 117.98 118.10 1hiv s PHE 53 Ca 0.00 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.49 1hiv s PHE 53 Cb 0.00 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.62 1hiv s PHE 53 CO 0.00 0.39 0.05 0.96 0.70 0.00 0.00 175.22 177.32 1hiv s ILE 54 N -0.59 0.88 -0.12 0.64 -4.36 0.75 -4.94 121.20 113.45 1hiv s ILE 54 Ca 0.10 -2.01 -0.06 0.00 -0.26 0.00 0.00 60.65 58.42 1hiv s ILE 54 Cb -0.12 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1hiv s ILE 54 CO 0.02 -0.12 0.08 -0.75 0.24 0.00 0.00 174.94 174.41 1hiv s LYS 55 N -3.94 3.42 0.18 0.37 2.36 -1.26 -1.02 119.74 119.85 1hiv s LYS 55 Ca 0.34 -0.26 -0.01 0.00 -2.55 0.00 0.00 55.97 53.49 1hiv s LYS 55 Cb 0.07 -3.08 -0.04 0.00 -1.05 0.00 0.00 37.83 33.74 1hiv s LYS 55 CO 0.12 0.65 0.09 0.14 1.55 0.00 0.00 175.35 177.90 1hiv s VAL 56 N -0.68 0.12 -0.13 4.02 -7.23 0.13 -4.58 120.40 112.05 1hiv s VAL 56 Ca 0.12 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.24 1hiv s VAL 56 Cb -0.12 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1hiv s VAL 56 CO 0.02 -0.19 0.17 -0.13 -0.31 0.00 0.00 175.10 174.66 1hiv s ARG 57 N -4.10 3.70 -0.22 4.82 0.52 -0.54 0.72 118.95 123.86 1hiv s ARG 57 Ca 0.33 -0.09 -0.05 0.00 -0.52 0.00 0.00 55.73 55.39 1hiv s ARG 57 Cb 0.07 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 1hiv s ARG 57 CO 0.08 0.63 0.01 -1.14 0.02 0.00 0.00 175.30 174.89 1hiv s GLN 58 N -0.62 3.56 -0.15 3.54 0.74 0.14 -0.83 119.66 126.05 1hiv s GLN 58 Ca 0.14 -0.54 -0.00 0.00 0.05 0.00 0.00 55.36 55.01 1hiv s GLN 58 Cb -0.12 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 1hiv s GLN 58 CO 0.03 -0.09 -0.13 0.71 -0.55 0.00 0.00 175.29 175.26 1hiv s TYR 59 N 1.27 2.81 0.23 1.67 1.51 0.57 -2.12 117.35 123.29 1hiv s TYR 59 Ca 0.04 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1hiv s TYR 59 Cb -0.15 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 1hiv s TYR 59 CO 0.01 -0.35 0.41 -0.51 -1.11 0.00 0.00 175.55 173.99 1hiv s ASP 60 N 0.64 6.36 -1.35 2.29 1.01 -1.26 -0.28 116.67 124.09 1hiv s ASP 60 Ca -0.07 0.35 -0.00 0.00 0.71 0.00 0.00 52.55 53.53 1hiv s ASP 60 Cb -0.16 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.79 1hiv s ASP 60 CO 0.03 -0.08 0.61 0.00 0.21 0.00 0.00 175.17 175.93 1hiv n GLN 61 N -0.94 -4.37 -3.76 8.23 1.13 -1.07 -4.91 117.38 111.68 1hiv n GLN 61 Ca -0.05 0.55 -0.36 0.00 -1.94 0.00 0.00 57.00 55.19 1hiv n GLN 61 Cb 0.55 -4.96 -0.07 0.00 0.11 0.00 0.00 30.24 25.86 1hiv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hiv s ILE 62 N -3.76 5.42 -0.01 5.09 -1.09 0.96 -4.70 121.20 123.11 1hiv s ILE 62 Ca 0.02 0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.45 1hiv s ILE 62 Cb -0.01 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1hiv s ILE 62 CO 0.84 0.52 0.76 -0.22 -1.23 0.00 0.00 174.94 175.61 1hiv s LEU 63 N -0.27 4.38 0.01 2.97 2.96 -1.26 -1.27 118.68 126.20 1hiv s LEU 63 Ca 0.12 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 1hiv s LEU 63 Cb -0.12 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1hiv s LEU 63 CO 0.02 -0.08 -0.05 -0.51 -1.32 0.00 0.00 176.35 174.41 1hiv s ILE 64 N 0.45 0.41 -0.19 6.68 2.07 0.67 -4.62 121.20 126.67 1hiv s ILE 64 Ca 0.40 -0.43 -0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1hiv s ILE 64 Cb -0.19 -0.38 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 1hiv s ILE 64 CO 0.21 -0.02 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.55 1hiv s GLU 65 N -0.49 3.44 -0.35 3.50 2.02 -0.34 -0.87 118.70 125.60 1hiv s GLU 65 Ca -0.01 -0.62 0.06 0.00 0.02 0.00 0.00 54.97 54.42 1hiv s GLU 65 Cb -0.04 -2.92 0.47 0.00 0.10 0.00 0.00 34.13 31.74 1hiv s GLU 65 CO -0.00 -0.03 1.42 -0.89 0.02 0.00 0.00 175.26 175.78 1hiv n ILE 66 N 4.30 2.70 0.00 -1.63 5.41 -1.26 -1.09 119.36 127.79 1hiv n ILE 66 Ca -0.18 -3.46 0.00 0.00 1.00 0.00 0.00 62.75 60.11 1hiv n ILE 66 Cb 0.52 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1hiv n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1hiv n GLY 68 N -0.91 0.00 3.75 7.39 0.00 -1.26 -4.75 105.19 109.40 1hiv n GLY 68 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.06 1hiv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hiv s HIS 69 N -0.17 3.53 0.20 1.61 3.76 -1.26 -5.06 115.29 117.90 1hiv s HIS 69 Ca 0.00 0.80 -0.29 0.00 -0.15 0.00 0.00 55.06 55.41 1hiv s HIS 69 Cb 0.00 -2.42 -0.08 0.00 1.11 0.00 0.00 32.58 31.19 1hiv s HIS 69 CO 0.00 0.29 0.92 0.15 -0.85 0.00 0.00 174.74 175.25 1hiv s LYS 70 N 0.24 4.79 -0.00 1.40 1.02 -1.26 -4.39 119.74 121.53 1hiv s LYS 70 Ca 0.22 1.44 -0.00 0.00 0.02 0.00 0.00 55.97 57.64 1hiv s LYS 70 Cb -0.15 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1hiv s LYS 70 CO 0.08 0.46 0.01 0.00 -0.92 0.00 0.00 175.35 174.99 1hiv s ALA 71 N -0.92 -0.02 -0.16 5.17 0.00 -0.05 -4.70 121.76 121.07 1hiv s ALA 71 Ca 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1hiv s ALA 71 Cb -0.25 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 22.90 1hiv s ALA 71 CO 0.31 -0.01 -0.03 0.42 0.00 0.00 0.00 175.76 176.44 1hiv s ILE 72 N -0.06 0.95 0.00 0.00 1.01 -1.26 -0.24 121.20 121.60 1hiv s ILE 72 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1hiv s ILE 72 Cb -0.01 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1hiv s ILE 72 CO -0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1hiv n GLY 73 N 4.92 0.88 3.73 6.18 0.00 -0.40 -4.83 105.19 115.67 1hiv n GLY 73 Ca -0.11 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1hiv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hiv s THR 74 N -2.24 4.35 -0.07 2.61 2.01 -1.26 -0.03 115.64 121.01 1hiv s THR 74 Ca 0.00 1.97 0.02 0.00 0.31 0.00 0.00 61.69 63.99 1hiv s THR 74 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.27 1hiv s THR 74 CO 0.00 0.31 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.42 1hiv s VAL 75 N -0.06 1.22 -0.14 3.82 1.01 0.62 -4.46 120.40 122.42 1hiv s VAL 75 Ca 0.48 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1hiv s VAL 75 Cb -0.25 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1hiv s VAL 75 CO 0.31 0.38 0.29 -0.76 0.00 0.00 0.00 175.10 175.31 1hiv s LEU 76 N 0.69 4.29 -0.16 3.92 1.43 0.03 -0.32 118.68 128.56 1hiv s LEU 76 Ca -0.14 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1hiv s LEU 76 Cb -0.16 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1hiv s LEU 76 CO 0.04 0.16 -0.11 -0.69 0.23 0.00 0.00 176.35 175.97 1hiv s VAL 77 N 0.12 3.01 0.00 -1.59 1.01 -0.01 -0.69 120.40 122.24 1hiv s VAL 77 Ca 0.17 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1hiv s VAL 77 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1hiv s VAL 77 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1hiv n GLY 78 N 4.06 0.61 2.46 4.51 0.00 -0.22 -1.46 105.19 115.15 1hiv n GLY 78 Ca -0.19 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 1hiv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hiv n PRO 79 N 0.00 3.23 -3.28 1.61 -0.04 -1.26 -3.52 135.00 131.74 1hiv n PRO 79 Ca 0.00 -2.15 -0.37 0.00 -0.04 0.00 0.00 63.50 60.94 1hiv n PRO 79 Cb 0.00 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1hiv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hiv s THR 80 N 2.65 4.75 0.55 0.52 -1.32 -1.26 -4.98 115.64 116.55 1hiv s THR 80 Ca 0.61 1.07 0.22 0.00 -1.21 0.00 0.00 61.69 62.38 1hiv s THR 80 Cb 0.16 -3.83 0.32 0.00 -1.51 0.00 0.00 72.50 67.64 1hiv s THR 80 CO -0.05 0.36 2.16 1.55 -2.21 0.00 0.00 174.62 176.43 1hiv h PRO 81 N 3.93 0.00 -3.43 7.08 0.13 -1.98 -3.45 132.00 134.29 1hiv h PRO 81 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1hiv h PRO 81 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1hiv h PRO 81 CO 0.65 0.00 -0.25 0.14 -0.23 0.00 0.00 178.00 178.31 1hiv s VAL 82 N -4.89 0.09 0.09 1.56 -7.23 -1.26 -5.12 120.40 103.64 1hiv s VAL 82 Ca -0.05 -0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 59.04 1hiv s VAL 82 Cb 0.17 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.97 1hiv s VAL 82 CO 0.63 -0.43 1.61 0.20 -0.31 0.00 0.00 175.10 176.80 1hiv s ASN 83 N -2.34 6.62 -0.02 4.85 0.01 -1.26 -4.78 114.94 118.02 1hiv s ASN 83 Ca -0.02 2.49 0.04 0.00 -0.71 0.00 0.00 52.86 54.66 1hiv s ASN 83 Cb 0.01 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 1hiv s ASN 83 CO -0.06 -0.85 -0.13 0.27 -1.51 0.00 0.00 177.10 174.81 1hiv s ILE 84 N 2.24 1.09 -0.36 0.60 -4.36 -0.35 -0.60 121.20 119.46 1hiv s ILE 84 Ca 0.72 -0.55 -0.13 0.00 -0.26 0.00 0.00 60.65 60.43 1hiv s ILE 84 Cb -0.40 -0.93 0.00 0.00 1.25 0.00 0.00 42.46 42.38 1hiv s ILE 84 CO 0.32 0.32 0.24 -0.63 0.24 0.00 0.00 174.94 175.42 1hiv s ILE 85 N -0.08 5.08 0.14 8.37 -1.09 0.12 -2.19 121.20 131.56 1hiv s ILE 85 Ca 0.01 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1hiv s ILE 85 Cb -0.08 -3.70 0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1hiv s ILE 85 CO 0.00 -0.12 0.20 0.61 -1.23 0.00 0.00 174.94 174.40 1hiv n GLY 86 N 5.09 1.23 0.40 6.18 0.00 -1.21 -1.14 105.19 115.74 1hiv n GLY 86 Ca -0.12 -2.04 0.20 0.00 0.00 0.00 0.00 46.02 44.05 1hiv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hiv h ARG 87 N 0.00 0.19 -0.41 1.61 3.08 -0.60 -1.86 114.38 116.39 1hiv h ARG 87 Ca -0.07 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1hiv h ARG 87 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1hiv h ARG 87 CO 0.08 0.13 0.27 -2.95 -1.07 0.00 0.00 179.97 176.43 1hiv h ASN 88 N 0.20 0.40 0.00 7.04 -1.07 -1.75 -1.98 115.58 118.41 1hiv h ASN 88 Ca 0.35 -0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.37 1hiv h ASN 88 Cb 1.10 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 37.19 1hiv h ASN 88 CO -0.07 0.28 -2.31 0.18 0.07 0.00 0.00 177.43 175.58 1hiv n LEU 89 N -4.48 0.45 -0.34 6.14 4.32 -0.75 -4.14 117.00 118.20 1hiv n LEU 89 Ca 0.04 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1hiv n LEU 89 Cb 0.13 0.27 0.16 0.00 -1.62 0.00 0.00 43.42 42.36 1hiv n LEU 89 CO 0.35 0.53 1.28 -0.07 -1.22 0.00 0.00 177.39 178.26 1hiv h LEU 90 N 0.00 1.06 -0.72 2.23 3.38 -1.27 -1.86 115.31 118.12 1hiv h LEU 90 Ca -0.52 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.31 1hiv h LEU 90 Cb 2.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1hiv h LEU 90 CO 0.01 0.74 -0.40 0.71 0.09 0.00 0.00 178.44 179.59 1hiv h THR 91 N 1.23 1.30 -0.68 0.22 1.35 -1.56 -1.19 112.91 113.58 1hiv h THR 91 Ca 0.37 -1.55 -0.03 0.00 -0.55 0.00 0.00 66.41 64.65 1hiv h THR 91 Cb -0.04 1.56 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1hiv h THR 91 CO -0.10 0.49 0.32 1.56 -0.25 0.00 0.00 175.52 177.53 1hiv h GLN 92 N 0.43 0.97 -0.22 4.72 4.20 -1.50 -2.75 115.11 120.95 1hiv h GLN 92 Ca 0.04 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1hiv h GLN 92 Cb 0.88 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1hiv h GLN 92 CO 0.08 0.76 0.00 0.44 -0.67 0.00 0.00 178.83 179.43 1hiv n ILE 93 N -4.33 0.29 -3.54 2.54 -5.35 -1.10 -4.95 119.36 102.92 1hiv n ILE 93 Ca 0.06 -0.39 -0.22 0.00 -0.27 0.00 0.00 62.75 61.93 1hiv n ILE 93 Cb 0.14 0.34 0.08 0.00 -1.74 0.00 0.00 39.64 38.46 1hiv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hiv n GLY 94 N 1.12 -0.48 3.73 3.28 0.00 -1.04 -5.00 105.19 106.79 1hiv n GLY 94 Ca 0.15 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 1hiv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hiv s THR 96 N 0.06 1.16 -0.01 0.00 -4.23 -1.26 -4.73 115.64 106.63 1hiv s THR 96 Ca 0.50 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1hiv s THR 96 Cb -0.27 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1hiv s THR 96 CO 0.32 -0.62 0.21 -0.76 -0.54 0.00 0.00 174.62 173.23 1hiv s LEU 97 N -3.21 4.37 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.70 1hiv s LEU 97 Ca 0.20 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.61 1hiv s LEU 97 Cb 0.03 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.63 1hiv s LEU 97 CO 0.03 0.26 0.21 0.20 0.23 0.00 0.00 176.35 177.28 1hiv s ASN 98 N -1.85 -0.06 0.00 2.29 0.01 -1.26 -5.28 114.94 108.79 1hiv s ASN 98 Ca 0.27 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 1hiv s ASN 98 Cb -0.13 0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.78 1hiv s ASN 98 CO 0.18 -0.42 0.00 2.22 -1.51 0.00 0.00 177.10 177.57