#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggv s GLN 2 N 0.00 3.35 -0.28 -0.52 -0.44 -1.26 -5.09 119.66 115.42 3ggv s GLN 2 Ca 0.00 -0.66 -0.01 0.00 -2.50 0.00 0.00 55.36 52.18 3ggv s GLN 2 Cb 0.00 -3.20 0.04 0.00 -1.64 0.00 0.00 33.01 28.21 3ggv s GLN 2 CO 0.00 -0.27 -0.03 0.42 0.50 0.00 0.00 175.29 175.91 3ggv s ILE 3 N 1.52 2.89 1.00 -2.34 1.01 -1.26 -5.11 121.20 118.91 3ggv s ILE 3 Ca 0.05 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.26 3ggv s ILE 3 Cb -0.15 -2.61 0.19 0.00 0.01 0.00 0.00 42.46 39.90 3ggv s ILE 3 CO 0.00 -0.01 1.19 0.42 0.00 0.00 0.00 174.94 176.54 3ggv s THR 4 N 1.26 1.90 -0.09 2.92 -4.23 -1.26 -5.03 115.64 111.11 3ggv s THR 4 Ca -0.04 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.65 3ggv s THR 4 Cb -0.19 -2.77 0.39 0.00 1.34 0.00 0.00 72.50 71.27 3ggv s THR 4 CO -0.02 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.41 3ggv n LEU 5 N -4.00 1.67 -0.06 4.79 4.77 -1.26 -4.69 117.00 118.21 3ggv n LEU 5 Ca 0.11 -2.73 -0.14 0.00 -0.03 0.00 0.00 56.01 53.21 3ggv n LEU 5 Cb 0.59 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3ggv n LEU 5 CO 0.51 0.85 0.43 -0.50 -1.33 0.00 0.00 177.39 177.34 3ggv h TRP 6 N 0.87 1.04 -1.57 -1.77 4.06 -2.06 -3.44 115.95 113.07 3ggv h TRP 6 Ca -0.11 -0.38 -0.44 0.00 2.06 0.00 0.00 58.89 60.02 3ggv h TRP 6 Cb 1.46 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.43 3ggv h TRP 6 CO 0.39 1.19 -0.32 -0.65 -3.56 0.00 0.00 178.44 175.50 3ggv s GLN 7 N -4.09 2.84 0.13 0.49 -0.21 -1.26 -5.09 119.66 112.47 3ggv s GLN 7 Ca -0.10 -1.24 -0.31 0.00 0.02 0.00 0.00 55.36 53.73 3ggv s GLN 7 Cb 0.10 -2.69 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 3ggv s GLN 7 CO 0.88 -0.15 1.52 1.03 -2.12 0.00 0.00 175.29 176.45 3ggv s ARG 8 N -4.24 4.25 -0.66 2.91 0.52 -1.26 -4.88 118.95 115.59 3ggv s ARG 8 Ca 0.50 2.24 -0.07 0.00 -0.52 0.00 0.00 55.73 57.89 3ggv s ARG 8 Cb -0.08 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 3ggv s ARG 8 CO 0.31 -0.57 1.81 -0.35 0.02 0.00 0.00 175.30 176.52 3ggv n PRO 9 N 4.28 1.47 -2.71 3.54 -0.04 -1.26 -4.89 135.00 135.39 3ggv n PRO 9 Ca 0.13 -1.27 -0.42 0.00 -0.04 0.00 0.00 63.50 61.91 3ggv n PRO 9 Cb 0.40 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 3ggv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ggv s LEU 10 N 0.19 4.32 0.02 1.53 1.43 -1.26 -2.13 118.68 122.79 3ggv s LEU 10 Ca 0.33 1.60 -0.03 0.00 -1.03 0.00 0.00 54.13 55.00 3ggv s LEU 10 Cb 0.08 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 3ggv s LEU 10 CO 0.00 -0.32 0.05 0.54 0.23 0.00 0.00 176.35 176.85 3ggv s VAL 11 N 1.36 0.12 0.26 -1.59 0.11 -0.15 -4.93 120.40 115.58 3ggv s VAL 11 Ca 0.50 -0.97 -0.16 0.00 -2.93 0.00 0.00 61.98 58.42 3ggv s VAL 11 Cb -0.20 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 3ggv s VAL 11 CO 0.24 -0.53 0.69 0.42 -3.33 0.00 0.00 175.10 172.59 3ggv s THR 12 N -1.92 4.68 0.23 5.04 -4.23 -1.26 -1.59 115.64 116.59 3ggv s THR 12 Ca -0.11 1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 61.39 3ggv s THR 12 Cb -0.06 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 3ggv s THR 12 CO -0.02 0.01 0.22 0.27 -0.54 0.00 0.00 174.62 174.56 3ggv s ILE 13 N -1.75 0.00 -0.06 2.99 -4.36 0.27 -2.40 121.20 115.89 3ggv s ILE 13 Ca 0.48 -1.90 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 3ggv s ILE 13 Cb -0.13 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.15 3ggv s ILE 13 CO 0.19 0.00 0.06 -0.75 0.24 0.00 0.00 174.94 174.68 3ggv s LYS 14 N -3.99 -0.01 -0.19 0.37 2.20 -0.20 -0.44 119.74 117.48 3ggv s LYS 14 Ca 0.37 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.28 3ggv s LYS 14 Cb 0.05 -0.70 0.04 0.00 -1.51 0.00 0.00 37.83 35.71 3ggv s LYS 14 CO 0.14 -0.37 -0.09 0.42 -0.36 0.00 0.00 175.35 175.10 3ggv s ILE 15 N 2.15 1.49 -0.93 5.43 1.01 -0.49 -1.85 121.20 128.02 3ggv s ILE 15 Ca 0.05 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3ggv s ILE 15 Cb -0.12 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 3ggv s ILE 15 CO -0.04 0.15 0.78 0.61 0.00 0.00 0.00 174.94 176.45 3ggv n GLY 16 N 4.74 -0.39 3.85 6.18 0.00 -1.26 -2.75 105.19 115.55 3ggv n GLY 16 Ca -0.14 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3ggv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 17 N -1.17 -0.51 2.84 -0.02 0.00 -1.26 -4.98 105.19 100.10 3ggv n GLY 17 Ca -0.17 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3ggv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ggv s GLN 18 N -6.56 1.11 0.25 1.61 -0.21 -1.11 -5.11 119.66 109.64 3ggv s GLN 18 Ca 0.65 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 55.49 3ggv s GLN 18 Cb -0.32 -1.59 -0.10 0.00 1.00 0.00 0.00 33.01 32.01 3ggv s GLN 18 CO 0.80 -0.37 1.33 -0.51 -2.12 0.00 0.00 175.29 174.42 3ggv s LEU 19 N 1.79 4.42 0.29 2.90 1.43 -1.26 -1.39 118.68 126.86 3ggv s LEU 19 Ca 0.03 2.55 -0.06 0.00 -1.03 0.00 0.00 54.13 55.62 3ggv s LEU 19 Cb -0.14 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 3ggv s LEU 19 CO -0.07 -0.56 0.44 -0.54 0.23 0.00 0.00 176.35 175.85 3ggv s LYS 20 N -0.72 1.71 -0.03 1.70 1.02 0.41 -4.96 119.74 118.87 3ggv s LYS 20 Ca 0.55 -1.56 0.05 0.00 0.02 0.00 0.00 55.97 55.02 3ggv s LYS 20 Cb -0.39 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 3ggv s LYS 20 CO 0.44 -0.70 -0.16 -2.00 -0.92 0.00 0.00 175.35 172.00 3ggv s GLU 21 N -3.50 1.51 0.03 1.68 2.12 -1.26 -0.57 118.70 118.71 3ggv s GLU 21 Ca 0.28 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.93 3ggv s GLU 21 Cb 0.00 -1.38 0.01 0.00 0.26 0.00 0.00 34.13 33.02 3ggv s GLU 21 CO 0.15 0.29 0.21 0.00 -0.54 0.00 0.00 175.26 175.38 3ggv s ALA 22 N -0.17 -0.44 -0.26 6.30 0.00 -0.62 -4.30 121.76 122.27 3ggv s ALA 22 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 3ggv s ALA 22 Cb -0.09 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3ggv s ALA 22 CO 0.01 -0.33 0.14 -1.17 0.00 0.00 0.00 175.76 174.41 3ggv s LEU 23 N -1.88 3.82 -0.56 0.00 2.96 0.56 -0.98 118.68 122.60 3ggv s LEU 23 Ca -0.08 -0.07 -0.27 0.00 -0.22 0.00 0.00 54.13 53.50 3ggv s LEU 23 Cb -0.03 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3ggv s LEU 23 CO -0.02 -0.03 1.84 -0.76 -1.32 0.00 0.00 176.35 176.06 3ggv s LEU 24 N 1.64 3.33 -0.41 -0.68 1.02 -0.91 -0.78 118.68 121.89 3ggv s LEU 24 Ca 0.07 0.51 -0.07 0.00 0.02 0.00 0.00 54.13 54.65 3ggv s LEU 24 Cb -0.15 -2.72 0.08 0.00 0.02 0.00 0.00 46.19 43.42 3ggv s LEU 24 CO 0.08 -2.25 0.23 -0.62 0.02 0.00 0.00 176.35 173.81 3ggv s ASP 25 N 7.70 5.50 0.55 2.29 -1.08 -0.35 -4.86 116.67 126.42 3ggv s ASP 25 Ca 0.69 -1.60 0.36 0.00 -0.52 0.00 0.00 52.55 51.48 3ggv s ASP 25 Cb -0.14 -1.93 1.69 0.00 -1.46 0.00 0.00 42.92 41.07 3ggv s ASP 25 CO 0.23 -0.52 2.07 0.71 0.52 0.00 0.00 175.17 178.19 3ggv h THR 26 N 6.17 0.00 -0.87 1.71 1.35 -1.93 -2.45 112.91 116.89 3ggv h THR 26 Ca -0.21 -0.28 -0.39 0.00 -0.55 0.00 0.00 66.41 64.98 3ggv h THR 26 Cb 1.07 1.22 -0.23 0.00 -1.73 0.00 0.00 68.15 68.48 3ggv h THR 26 CO 0.73 0.00 0.50 0.61 -0.25 0.00 0.00 175.52 177.11 3ggv n GLY 27 N -0.43 4.08 3.16 5.82 0.00 -1.26 -4.81 105.19 111.74 3ggv n GLY 27 Ca -0.01 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 3ggv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggv s ALA 28 N -3.07 2.05 0.13 4.61 0.00 -0.92 -5.01 121.76 119.55 3ggv s ALA 28 Ca 0.54 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 3ggv s ALA 28 Cb 0.45 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3ggv s ALA 28 CO 0.12 0.08 1.59 -0.44 0.00 0.00 0.00 175.76 177.11 3ggv h ASP 29 N 7.11 0.72 -0.66 0.00 3.45 -1.87 -2.59 116.42 122.58 3ggv h ASP 29 Ca -0.28 -0.29 -0.57 0.00 0.43 0.00 0.00 57.03 56.32 3ggv h ASP 29 Cb 1.20 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.74 3ggv h ASP 29 CO 0.51 0.84 -0.29 -1.81 -1.57 0.00 0.00 179.24 176.92 3ggv s ASP 30 N -6.21 4.70 -0.24 6.45 1.01 -1.26 -3.50 116.67 117.63 3ggv s ASP 30 Ca -0.13 -1.17 -0.05 0.00 0.71 0.00 0.00 52.55 51.91 3ggv s ASP 30 Cb 0.10 0.34 -0.01 0.00 1.01 0.00 0.00 42.92 44.36 3ggv s ASP 30 CO 0.80 -1.10 -0.00 -0.89 0.21 0.00 0.00 175.17 174.18 3ggv s THR 31 N -2.74 3.64 -0.14 -1.27 2.01 -1.26 -3.02 115.64 112.85 3ggv s THR 31 Ca 0.38 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.94 3ggv s THR 31 Cb -0.03 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.80 3ggv s THR 31 CO 0.23 0.36 -0.19 0.54 -0.69 0.00 0.00 174.62 174.87 3ggv s VAL 32 N 1.51 1.90 0.06 3.82 0.11 -0.97 -0.07 120.40 126.76 3ggv s VAL 32 Ca 0.05 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.25 3ggv s VAL 32 Cb -0.15 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 3ggv s VAL 32 CO -0.01 0.52 0.14 -0.76 -3.33 0.00 0.00 175.10 171.65 3ggv s LEU 33 N 1.00 4.05 0.74 2.54 1.43 0.37 -1.12 118.68 127.70 3ggv s LEU 33 Ca -0.04 0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 3ggv s LEU 33 Cb -0.15 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.46 3ggv s LEU 33 CO -0.05 0.18 1.16 -1.61 0.23 0.00 0.00 176.35 176.26 3ggv s GLU 34 N -2.37 2.16 -0.44 1.70 2.02 -1.26 -1.43 118.70 119.09 3ggv s GLU 34 Ca 0.31 1.55 -0.42 0.00 0.02 0.00 0.00 54.97 56.43 3ggv s GLU 34 Cb -0.13 -1.86 -0.17 0.00 0.10 0.00 0.00 34.13 32.08 3ggv s GLU 34 CO 0.24 -1.77 2.03 -1.91 0.02 0.00 0.00 175.26 173.87 3ggv n GLU 35 N -2.97 0.36 -3.81 1.61 4.07 -1.25 -4.72 120.64 113.93 3ggv n GLU 35 Ca 0.12 0.11 -0.10 0.00 -0.06 0.00 0.00 57.16 57.23 3ggv n GLU 35 Cb 0.51 -1.78 -0.07 0.00 -0.06 0.00 0.00 31.44 30.05 3ggv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ggv s MET 36 N 5.38 0.82 0.05 5.31 0.23 -1.26 -5.09 119.30 124.73 3ggv s MET 36 Ca 1.13 -0.76 -0.26 0.00 -1.03 0.00 0.00 55.69 54.78 3ggv s MET 36 Cb -1.31 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 32.28 3ggv s MET 36 CO 0.65 -0.26 0.80 -1.54 -2.03 0.00 0.00 175.02 172.63 3ggv s SER 37 N -2.50 7.25 -0.02 -1.18 1.04 -1.26 -5.05 113.70 111.98 3ggv s SER 37 Ca 0.00 1.50 0.01 0.00 0.48 0.00 0.00 55.95 57.94 3ggv s SER 37 Cb 0.02 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 63.67 3ggv s SER 37 CO -0.08 -0.01 -0.01 -0.76 0.98 0.00 0.00 173.24 173.36 3ggv s LEU 38 N 0.03 1.39 0.69 2.42 1.43 -1.26 -5.08 118.68 118.30 3ggv s LEU 38 Ca 0.40 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.31 3ggv s LEU 38 Cb -0.21 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 45.82 3ggv s LEU 38 CO 0.24 -0.06 1.19 -2.16 0.23 0.00 0.00 176.35 175.79 3ggv s PRO 39 N 0.73 2.42 0.00 1.29 0.04 -1.26 -4.87 135.00 133.35 3ggv s PRO 39 Ca -0.07 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3ggv s PRO 39 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3ggv s PRO 39 CO -0.01 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.83 3ggv n GLY 40 N 0.28 -0.50 3.96 0.56 0.00 -1.26 -4.99 105.19 103.24 3ggv n GLY 40 Ca 0.13 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 3ggv n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ggv s ARG 41 N -2.09 2.60 0.05 1.61 1.70 -1.26 -5.10 118.95 116.45 3ggv s ARG 41 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 3ggv s ARG 41 Cb 0.00 -2.42 -0.03 0.00 -0.57 0.00 0.00 34.95 31.93 3ggv s ARG 41 CO 0.00 -0.74 -0.04 1.67 -1.08 0.00 0.00 175.30 175.11 3ggv s TRP 42 N -2.85 0.54 0.20 5.89 1.48 -1.26 -4.77 118.94 118.17 3ggv s TRP 42 Ca 0.56 -0.84 0.06 0.00 -1.06 0.00 0.00 56.10 54.82 3ggv s TRP 42 Cb -0.10 -0.36 -0.04 0.00 -1.16 0.00 0.00 33.47 31.81 3ggv s TRP 42 CO 0.40 -0.26 0.13 0.15 -4.06 0.00 0.00 176.95 173.31 3ggv s LYS 43 N -3.01 2.79 0.65 3.25 1.02 -1.19 -4.91 119.74 118.34 3ggv s LYS 43 Ca 0.00 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 3ggv s LYS 43 Cb 0.01 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3ggv s LYS 43 CO -0.06 0.44 1.05 -1.25 -0.92 0.00 0.00 175.35 174.62 3ggv s PRO 44 N -3.39 3.31 -0.14 -1.68 0.04 -1.26 -0.57 135.00 131.31 3ggv s PRO 44 Ca 0.31 0.71 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 3ggv s PRO 44 Cb -0.09 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.46 3ggv s PRO 44 CO 0.23 -0.77 0.59 0.21 0.04 0.00 0.00 177.00 177.30 3ggv s LYS 45 N -5.20 0.82 0.13 4.56 2.20 -0.79 -4.77 119.74 116.68 3ggv s LYS 45 Ca 0.56 0.49 -0.19 0.00 -0.36 0.00 0.00 55.97 56.47 3ggv s LYS 45 Cb -0.11 0.39 -0.07 0.00 -1.51 0.00 0.00 37.83 36.52 3ggv s LYS 45 CO 0.54 -0.18 0.62 -1.64 -0.36 0.00 0.00 175.35 174.32 3ggv s MET 46 N -0.44 4.21 -0.07 4.03 -1.94 -1.26 -1.39 119.30 122.44 3ggv s MET 46 Ca -0.06 0.76 0.05 0.00 -1.71 0.00 0.00 55.69 54.73 3ggv s MET 46 Cb -0.03 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.69 3ggv s MET 46 CO 0.04 0.55 -0.23 0.96 -0.01 0.00 0.00 175.02 176.34 3ggv s ILE 47 N -1.27 2.23 0.00 2.53 -4.36 -0.96 -4.96 121.20 114.41 3ggv s ILE 47 Ca 0.34 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.73 3ggv s ILE 47 Cb -0.18 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.70 3ggv s ILE 47 CO 0.20 0.57 0.00 0.61 0.24 0.00 0.00 174.94 176.56 3ggv n GLY 48 N 3.00 0.00 2.42 6.27 0.00 -1.26 -3.41 105.19 112.20 3ggv n GLY 48 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ggv n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 49 N 0.00 -1.79 1.48 -0.02 0.00 -1.25 -3.63 105.19 99.97 3ggv n GLY 49 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3ggv n GLY 49 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3ggv n ILE 50 N 0.00 0.09 0.74 -0.61 0.13 -1.26 -4.64 119.36 113.80 3ggv n ILE 50 Ca 0.00 0.03 -0.02 0.00 -1.10 0.00 0.00 62.75 61.66 3ggv n ILE 50 Cb 0.00 -1.03 0.03 0.00 -0.84 0.00 0.00 39.64 37.80 3ggv n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3ggv n GLY 51 N 2.33 2.14 1.63 4.50 0.00 -1.26 -5.00 105.19 109.52 3ggv n GLY 51 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ggv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggv n GLY 52 N 0.24 -0.52 3.81 -0.02 0.00 -1.26 -5.03 105.19 102.40 3ggv n GLY 52 Ca 0.06 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 3ggv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ggv s PHE 53 N 0.00 3.21 0.09 1.61 0.40 -1.24 -3.93 117.98 118.12 3ggv s PHE 53 Ca 0.00 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.42 3ggv s PHE 53 Cb 0.00 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 3ggv s PHE 53 CO 0.00 0.52 -0.14 0.96 0.70 0.00 0.00 175.22 177.26 3ggv s ILE 54 N -1.62 1.19 -0.14 0.64 -4.36 -1.22 -4.93 121.20 110.75 3ggv s ILE 54 Ca 0.31 -1.46 -0.29 0.00 -0.26 0.00 0.00 60.65 58.95 3ggv s ILE 54 Cb -0.11 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.34 3ggv s ILE 54 CO 0.24 -0.30 1.13 -0.54 0.24 0.00 0.00 174.94 175.71 3ggv s LYS 55 N -2.09 4.32 0.18 0.37 3.01 -1.26 -2.26 119.74 122.00 3ggv s LYS 55 Ca 0.02 1.53 0.06 0.00 -1.01 0.00 0.00 55.97 56.56 3ggv s LYS 55 Cb -0.08 -3.62 -0.05 0.00 -1.01 0.00 0.00 37.83 33.07 3ggv s LYS 55 CO 0.02 -0.52 -0.11 0.14 0.51 0.00 0.00 175.35 175.39 3ggv s VAL 56 N 2.71 1.39 -0.21 3.17 -7.23 -0.48 -4.66 120.40 115.09 3ggv s VAL 56 Ca 0.51 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.43 3ggv s VAL 56 Cb -0.20 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3ggv s VAL 56 CO 0.15 -0.66 0.24 -0.13 -0.31 0.00 0.00 175.10 174.39 3ggv s ARG 57 N -3.71 4.16 -0.05 4.82 0.52 0.10 -1.89 118.95 122.91 3ggv s ARG 57 Ca 0.20 -0.07 -0.16 0.00 -0.52 0.00 0.00 55.73 55.18 3ggv s ARG 57 Cb 0.01 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 3ggv s ARG 57 CO 0.04 0.12 0.43 -1.14 0.02 0.00 0.00 175.30 174.77 3ggv s GLN 58 N 0.85 4.09 -0.02 3.54 0.74 0.26 -0.62 119.66 128.51 3ggv s GLN 58 Ca 0.12 0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.99 3ggv s GLN 58 Cb -0.13 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 3ggv s GLN 58 CO 0.04 0.49 -0.14 0.71 -0.55 0.00 0.00 175.29 175.84 3ggv s TYR 59 N -0.43 1.32 0.28 1.67 1.51 0.12 -3.14 117.35 118.67 3ggv s TYR 59 Ca 0.24 -0.29 0.10 0.00 -1.01 0.00 0.00 57.07 56.10 3ggv s TYR 59 Cb -0.16 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 3ggv s TYR 59 CO 0.12 -0.07 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.96 3ggv s ASP 60 N -0.16 4.37 -1.43 2.29 1.01 -1.26 -0.32 116.67 121.18 3ggv s ASP 60 Ca 0.02 -0.74 -0.04 0.00 0.71 0.00 0.00 52.55 52.50 3ggv s ASP 60 Cb -0.07 -0.73 0.02 0.00 1.01 0.00 0.00 42.92 43.15 3ggv s ASP 60 CO 0.00 -0.03 0.35 0.00 0.21 0.00 0.00 175.17 175.70 3ggv n GLN 61 N -0.87 -3.43 -3.21 8.23 1.13 -1.25 -4.95 117.38 113.02 3ggv n GLN 61 Ca -0.06 0.75 -0.29 0.00 -1.94 0.00 0.00 57.00 55.47 3ggv n GLN 61 Cb 0.60 -5.49 -0.03 0.00 0.11 0.00 0.00 30.24 25.42 3ggv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ggv s ILE 62 N -2.98 4.97 -0.10 5.09 -1.09 -0.38 -4.78 121.20 121.94 3ggv s ILE 62 Ca 0.21 0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 3ggv s ILE 62 Cb -0.10 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 3ggv s ILE 62 CO 0.26 -0.38 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.20 3ggv s LEU 63 N -3.66 1.80 -0.16 2.97 2.96 -1.26 -0.42 118.68 120.91 3ggv s LEU 63 Ca 0.46 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3ggv s LEU 63 Cb -0.11 -1.11 0.04 0.00 0.50 0.00 0.00 46.19 45.52 3ggv s LEU 63 CO 0.31 0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.74 3ggv s ILE 64 N 0.75 0.90 -0.53 6.68 1.01 -0.61 -4.44 121.20 124.96 3ggv s ILE 64 Ca -0.12 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 3ggv s ILE 64 Cb -0.16 -1.15 0.03 0.00 0.01 0.00 0.00 42.46 41.19 3ggv s ILE 64 CO 0.02 0.06 1.15 -0.70 0.00 0.00 0.00 174.94 175.47 3ggv s GLU 65 N 1.72 3.59 -0.44 2.79 2.12 -0.77 -3.14 118.70 124.57 3ggv s GLU 65 Ca 0.01 0.35 -0.14 0.00 0.36 0.00 0.00 54.97 55.54 3ggv s GLU 65 Cb -0.15 -3.97 0.05 0.00 0.26 0.00 0.00 34.13 30.32 3ggv s GLU 65 CO -0.07 -1.53 0.33 0.42 -0.54 0.00 0.00 175.26 173.87 3ggv s ILE 66 N 4.65 5.09 -1.30 -3.70 1.01 -0.11 -1.03 121.20 125.81 3ggv s ILE 66 Ca 0.44 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 3ggv s ILE 66 Cb -0.08 -3.96 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 3ggv s ILE 66 CO 0.28 -0.45 0.71 0.00 0.00 0.00 0.00 174.94 175.47 3ggv n GLY 68 N -1.56 2.93 3.33 0.00 0.00 -1.26 -5.03 105.19 103.59 3ggv n GLY 68 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3ggv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ggv s HIS 69 N -2.24 3.12 0.57 1.61 4.02 -0.20 -5.09 115.29 117.09 3ggv s HIS 69 Ca 0.00 -1.00 -0.18 0.00 1.02 0.00 0.00 55.06 54.90 3ggv s HIS 69 Cb 0.00 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.58 29.30 3ggv s HIS 69 CO 0.00 -0.57 1.11 0.15 1.02 0.00 0.00 174.74 176.45 3ggv s LYS 70 N 1.49 3.24 -0.28 1.40 1.02 -1.26 -0.94 119.74 124.40 3ggv s LYS 70 Ca 0.03 1.49 -0.17 0.00 0.02 0.00 0.00 55.97 57.34 3ggv s LYS 70 Cb -0.17 -2.00 0.11 0.00 -0.52 0.00 0.00 37.83 35.25 3ggv s LYS 70 CO 0.01 -0.92 0.81 0.00 -0.92 0.00 0.00 175.35 174.33 3ggv s ALA 71 N -2.01 -2.03 -0.06 5.17 0.00 -1.19 -4.71 121.76 116.94 3ggv s ALA 71 Ca 0.70 2.31 0.03 0.00 0.00 0.00 0.00 51.96 55.00 3ggv s ALA 71 Cb -0.22 -1.53 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 3ggv s ALA 71 CO 0.31 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 3ggv s ILE 72 N 1.43 3.06 -2.77 0.00 1.01 -1.26 -1.57 121.20 121.11 3ggv s ILE 72 Ca -0.09 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3ggv s ILE 72 Cb -0.04 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3ggv s ILE 72 CO -0.17 0.58 0.00 0.61 0.00 0.00 0.00 174.94 175.97 3ggv n GLY 73 N 2.45 -1.45 3.73 6.18 0.00 0.44 -4.95 105.19 111.59 3ggv n GLY 73 Ca -0.17 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3ggv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ggv s THR 74 N -2.85 3.63 0.05 2.61 2.01 -1.26 -1.24 115.64 118.59 3ggv s THR 74 Ca 0.00 1.31 0.06 0.00 0.31 0.00 0.00 61.69 63.37 3ggv s THR 74 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3ggv s THR 74 CO 0.00 0.18 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.25 3ggv s VAL 75 N 0.25 1.34 -0.04 3.82 1.01 0.56 -4.61 120.40 122.72 3ggv s VAL 75 Ca 0.55 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3ggv s VAL 75 Cb -0.32 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3ggv s VAL 75 CO 0.35 0.02 -0.12 -0.76 0.00 0.00 0.00 175.10 174.58 3ggv s LEU 76 N -1.34 2.87 -0.11 3.92 1.43 0.90 0.12 118.68 126.48 3ggv s LEU 76 Ca 0.03 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3ggv s LEU 76 Cb -0.09 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3ggv s LEU 76 CO 0.02 0.34 -0.19 -0.69 0.23 0.00 0.00 176.35 176.05 3ggv s VAL 77 N -0.79 2.49 0.03 -1.59 1.01 0.21 0.14 120.40 121.91 3ggv s VAL 77 Ca 0.12 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 3ggv s VAL 77 Cb -0.11 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.35 3ggv s VAL 77 CO 0.02 0.55 0.90 0.61 0.00 0.00 0.00 175.10 177.17 3ggv n GLY 78 N 3.45 0.47 2.31 4.51 0.00 -0.51 0.01 105.19 115.43 3ggv n GLY 78 Ca -0.18 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3ggv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ggv n PRO 79 N -0.64 3.71 -3.18 1.61 -0.04 -1.26 -3.75 135.00 131.45 3ggv n PRO 79 Ca 0.02 -2.29 -0.32 0.00 -0.04 0.00 0.00 63.50 60.88 3ggv n PRO 79 Cb 0.44 -2.73 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 3ggv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ggv s THR 80 N 1.69 4.80 -0.88 0.52 -1.32 -1.26 -5.01 115.64 114.18 3ggv s THR 80 Ca 0.68 0.67 0.25 0.00 -1.21 0.00 0.00 61.69 62.08 3ggv s THR 80 Cb 0.19 -3.64 0.23 0.00 -1.51 0.00 0.00 72.50 67.76 3ggv s THR 80 CO -0.06 -0.23 1.77 -0.81 -2.21 0.00 0.00 174.62 173.08 3ggv n PRO 81 N -0.53 0.08 -3.89 7.08 -0.04 -1.26 -4.68 135.00 131.77 3ggv n PRO 81 Ca 0.02 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 3ggv n PRO 81 Cb 0.53 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 3ggv n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ggv s VAL 82 N -3.06 0.09 0.20 0.52 -7.23 -1.26 -5.06 120.40 104.59 3ggv s VAL 82 Ca 0.11 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 3ggv s VAL 82 Cb 0.14 -0.39 -0.09 0.00 0.56 0.00 0.00 36.38 36.61 3ggv s VAL 82 CO 0.48 -0.39 1.35 0.20 -0.31 0.00 0.00 175.10 176.43 3ggv s ASN 83 N -1.34 6.83 -0.05 4.85 0.01 -1.26 -4.59 114.94 119.39 3ggv s ASN 83 Ca -0.14 2.45 0.06 0.00 -0.71 0.00 0.00 52.86 54.52 3ggv s ASN 83 Cb -0.08 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 3ggv s ASN 83 CO 0.01 -0.59 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.13 3ggv s ILE 84 N 0.24 2.03 -0.29 0.60 1.01 -0.28 -0.32 121.20 124.19 3ggv s ILE 84 Ca 0.59 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.15 3ggv s ILE 84 Cb -0.38 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.42 3ggv s ILE 84 CO 0.38 0.57 0.00 -0.63 0.00 0.00 0.00 174.94 175.26 3ggv s ILE 85 N -0.22 3.13 0.57 2.92 -1.09 0.04 -2.29 121.20 124.25 3ggv s ILE 85 Ca -0.02 -1.21 0.09 0.00 -2.23 0.00 0.00 60.65 57.28 3ggv s ILE 85 Cb -0.13 -2.73 0.08 0.00 -1.58 0.00 0.00 42.46 38.10 3ggv s ILE 85 CO 0.03 -0.03 0.74 -0.83 -1.23 0.00 0.00 174.94 173.62 3ggv s GLY 86 N 1.31 1.82 0.65 6.18 0.00 -1.17 -1.21 107.32 114.90 3ggv s GLY 86 Ca -0.03 -2.02 0.40 0.00 0.00 0.00 0.00 44.72 43.06 3ggv s GLY 86 CO -0.01 -1.72 2.29 3.21 0.00 0.00 0.00 173.10 176.87 3ggv h ARG 87 N 0.26 0.00 0.00 2.90 3.08 -1.54 -0.39 114.38 118.68 3ggv h ARG 87 Ca -0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3ggv h ARG 87 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 3ggv h ARG 87 CO 0.43 0.00 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.37 3ggv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.84 -2.59 115.58 117.11 3ggv h ASN 88 Ca 0.01 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.23 3ggv h ASN 88 Cb 0.11 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.33 3ggv h ASN 88 CO -0.00 0.01 -1.56 0.18 0.07 0.00 0.00 177.43 176.14 3ggv n LEU 89 N -3.18 2.16 -0.29 6.14 4.77 -0.18 -4.51 117.00 121.91 3ggv n LEU 89 Ca -0.02 -0.04 0.07 0.00 -0.03 0.00 0.00 56.01 55.99 3ggv n LEU 89 Cb 0.16 -0.20 0.22 0.00 -2.33 0.00 0.00 43.42 41.26 3ggv n LEU 89 CO 0.24 0.54 1.09 -0.07 -1.33 0.00 0.00 177.39 177.85 3ggv h LEU 90 N 0.00 0.50 -1.58 2.23 3.38 -1.56 -0.48 115.31 117.80 3ggv h LEU 90 Ca -0.22 0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3ggv h LEU 90 Cb 1.38 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 3ggv h LEU 90 CO -0.02 0.21 0.37 0.71 0.09 0.00 0.00 178.44 179.80 3ggv h THR 91 N 0.61 0.99 -0.27 0.22 1.35 -1.71 -0.68 112.91 113.42 3ggv h THR 91 Ca 0.45 -0.18 -0.16 0.00 -0.55 0.00 0.00 66.41 65.98 3ggv h THR 91 Cb 0.63 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3ggv h THR 91 CO -0.36 0.09 -0.47 1.56 -0.25 0.00 0.00 175.52 176.09 3ggv h GLN 92 N 0.51 0.71 -0.62 4.72 1.08 -1.32 -3.08 115.11 117.12 3ggv h GLN 92 Ca 0.24 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3ggv h GLN 92 Cb 0.28 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3ggv h GLN 92 CO -0.07 1.03 0.00 0.44 -0.95 0.00 0.00 178.83 179.28 3ggv n ILE 93 N -4.01 1.35 -3.24 2.54 -5.35 -0.94 -4.93 119.36 104.80 3ggv n ILE 93 Ca -0.03 -0.92 -0.16 0.00 -0.27 0.00 0.00 62.75 61.37 3ggv n ILE 93 Cb 0.57 0.12 0.06 0.00 -1.74 0.00 0.00 39.64 38.65 3ggv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ggv n GLY 94 N 1.08 -0.11 3.82 3.28 0.00 -0.92 -5.00 105.19 107.34 3ggv n GLY 94 Ca 0.21 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 3ggv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ggv s THR 96 N -1.75 0.08 -0.21 0.00 -1.32 -1.26 -4.73 115.64 106.45 3ggv s THR 96 Ca 0.49 -0.66 -0.08 0.00 -1.21 0.00 0.00 61.69 60.23 3ggv s THR 96 Cb -0.14 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.04 3ggv s THR 96 CO 0.19 -0.37 0.08 -0.22 -2.21 0.00 0.00 174.62 172.10 3ggv s LEU 97 N -1.75 3.80 0.01 9.08 2.96 -1.26 -5.09 118.68 126.43 3ggv s LEU 97 Ca -0.09 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 3ggv s LEU 97 Cb -0.03 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3ggv s LEU 97 CO -0.00 0.11 -0.14 0.20 -1.32 0.00 0.00 176.35 175.20 3ggv s ASN 98 N 0.78 1.61 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.58 3ggv s ASN 98 Ca 0.04 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.02 3ggv s ASN 98 Cb -0.13 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.94 3ggv s ASN 98 CO 0.02 0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.90