#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 3.37 -0.25 -0.52 0.74 -1.26 -5.11 119.66 116.64 3ggv s GLN 2 Ca 0.00 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 54.74 3ggv s GLN 2 Cb 0.00 -2.62 0.05 0.00 1.10 0.00 0.00 33.01 31.54 3ggv s GLN 2 CO 0.00 0.22 -0.12 0.42 -0.55 0.00 0.00 175.29 175.26 3ggv s ILE 3 N 0.34 2.23 0.63 -2.34 1.01 -1.26 -5.11 121.20 116.71 3ggv s ILE 3 Ca -0.11 -1.45 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 3ggv s ILE 3 Cb -0.16 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3ggv s ILE 3 CO 0.06 0.09 1.02 0.42 0.00 0.00 0.00 174.94 176.53 3ggv s THR 4 N 1.16 4.27 -0.30 2.92 -4.23 -1.26 -5.02 115.64 113.18 3ggv s THR 4 Ca -0.06 0.64 0.08 0.00 -1.18 0.00 0.00 61.69 61.18 3ggv s THR 4 Cb -0.18 -3.72 0.51 0.00 1.34 0.00 0.00 72.50 70.45 3ggv s THR 4 CO -0.06 -0.92 1.48 0.18 -0.54 0.00 0.00 174.62 174.76 3ggv n LEU 5 N -2.78 4.21 -0.00 4.79 4.77 -1.26 -4.60 117.00 122.12 3ggv n LEU 5 Ca 0.06 -3.80 -0.17 0.00 -0.03 0.00 0.00 56.01 52.06 3ggv n LEU 5 Cb 0.55 -0.64 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 3ggv n LEU 5 CO 0.57 1.28 0.27 -0.50 -1.33 0.00 0.00 177.39 177.69 3ggv h TRP 6 N 1.01 0.59 -3.17 -1.77 4.06 -2.06 -3.44 115.95 111.17 3ggv h TRP 6 Ca 0.24 -0.31 -0.05 0.00 2.06 0.00 0.00 58.89 60.82 3ggv h TRP 6 Cb 1.69 -0.07 0.01 0.00 -1.00 0.00 0.00 29.16 29.79 3ggv h TRP 6 CO 1.07 1.13 0.02 1.04 -3.56 0.00 0.00 178.44 178.14 3ggv n GLN 7 N -4.24 0.35 -2.68 0.49 6.02 -1.26 -5.06 117.38 111.00 3ggv n GLN 7 Ca -0.10 -0.30 -0.36 0.00 -0.01 0.00 0.00 57.00 56.23 3ggv n GLN 7 Cb 0.65 -0.10 -0.05 0.00 1.02 0.00 0.00 30.24 31.76 3ggv n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3ggv s ARG 8 N -2.87 4.35 -1.19 -1.09 0.52 -1.26 -4.90 118.95 112.51 3ggv s ARG 8 Ca 0.08 1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 56.60 3ggv s ARG 8 Cb -0.00 -2.60 -0.07 0.00 0.52 0.00 0.00 34.95 32.79 3ggv s ARG 8 CO 0.05 0.05 2.49 -0.35 0.02 0.00 0.00 175.30 177.56 3ggv n PRO 9 N 0.12 2.74 -2.68 3.54 -0.04 -1.26 -4.87 135.00 132.54 3ggv n PRO 9 Ca 0.04 -1.75 -0.39 0.00 -0.04 0.00 0.00 63.50 61.37 3ggv n PRO 9 Cb 0.50 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 3ggv n PRO 9 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ggv s LEU 10 N 0.12 4.48 0.14 1.53 2.96 -1.26 -1.51 118.68 125.15 3ggv s LEU 10 Ca 0.52 1.99 -0.14 0.00 -0.22 0.00 0.00 54.13 56.27 3ggv s LEU 10 Cb 0.14 -3.80 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3ggv s LEU 10 CO -0.04 -0.04 0.39 0.54 -1.32 0.00 0.00 176.35 175.88 3ggv s VAL 11 N -1.36 0.07 -0.03 1.68 0.11 0.14 -4.93 120.40 116.06 3ggv s VAL 11 Ca 0.46 -0.81 -0.15 0.00 -2.93 0.00 0.00 61.98 58.55 3ggv s VAL 11 Cb -0.24 -1.39 -0.05 0.00 -1.53 0.00 0.00 36.38 33.17 3ggv s VAL 11 CO 0.31 -0.30 0.40 0.28 -3.33 0.00 0.00 175.10 172.45 3ggv s THR 12 N -3.85 5.09 0.04 5.04 -1.32 -1.26 0.13 115.64 119.51 3ggv s THR 12 Ca 0.07 0.81 -0.02 0.00 -1.21 0.00 0.00 61.69 61.34 3ggv s THR 12 Cb 0.02 -3.71 -0.03 0.00 -1.51 0.00 0.00 72.50 67.27 3ggv s THR 12 CO -0.08 0.53 0.00 0.27 -2.21 0.00 0.00 174.62 173.13 3ggv s ILE 13 N -0.70 0.17 -0.03 5.08 -4.36 0.19 -2.04 121.20 119.50 3ggv s ILE 13 Ca 0.23 -1.38 0.07 0.00 -0.26 0.00 0.00 60.65 59.31 3ggv s ILE 13 Cb -0.16 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.52 3ggv s ILE 13 CO 0.12 -0.76 -0.24 -0.54 0.24 0.00 0.00 174.94 173.75 3ggv s LYS 14 N -2.93 2.15 -0.15 0.37 1.02 0.45 0.13 119.74 120.77 3ggv s LYS 14 Ca -0.02 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.05 3ggv s LYS 14 Cb 0.01 -1.98 0.05 0.00 -0.52 0.00 0.00 37.83 35.39 3ggv s LYS 14 CO -0.06 0.47 0.07 0.42 -0.92 0.00 0.00 175.35 175.33 3ggv s ILE 15 N -0.43 0.06 -1.25 2.17 1.01 0.03 -1.04 121.20 121.75 3ggv s ILE 15 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3ggv s ILE 15 Cb -0.11 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 3ggv s ILE 15 CO 0.01 -0.17 0.69 0.61 0.00 0.00 0.00 174.94 176.07 3ggv n GLY 16 N 5.23 -0.57 2.04 6.18 0.00 -1.26 -2.01 105.19 114.79 3ggv n GLY 16 Ca -0.07 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.67 2.06 3.74 -0.02 0.00 -1.26 -5.00 105.19 103.05 3ggv n GLY 17 Ca -0.22 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 4.76 -0.16 1.61 -0.21 -0.85 -5.03 119.66 119.78 3ggv s GLN 18 Ca 0.00 1.53 -0.19 0.00 0.02 0.00 0.00 55.36 56.73 3ggv s GLN 18 Cb 0.00 -3.30 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 3ggv s GLN 18 CO 0.00 0.34 0.51 -1.17 -2.12 0.00 0.00 175.29 172.86 3ggv s LEU 19 N -0.75 4.21 0.35 2.90 2.96 -1.26 -0.78 118.68 126.31 3ggv s LEU 19 Ca 0.44 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 55.15 3ggv s LEU 19 Cb -0.26 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 3ggv s LEU 19 CO 0.33 -0.11 0.12 -0.54 -1.32 0.00 0.00 176.35 174.83 3ggv s LYS 20 N 1.20 1.75 -0.08 1.98 1.02 0.34 -4.96 119.74 120.99 3ggv s LYS 20 Ca 0.26 -2.02 0.04 0.00 0.02 0.00 0.00 55.97 54.27 3ggv s LYS 20 Cb -0.15 -0.50 -0.00 0.00 -0.52 0.00 0.00 37.83 36.66 3ggv s LYS 20 CO 0.10 -0.40 -0.22 -2.00 -0.92 0.00 0.00 175.35 171.91 3ggv s GLU 21 N -3.80 2.68 0.08 1.68 2.12 -1.26 0.57 118.70 120.79 3ggv s GLU 21 Ca 0.31 -0.81 -0.07 0.00 0.36 0.00 0.00 54.97 54.75 3ggv s GLU 21 Cb 0.05 -2.11 -0.01 0.00 0.26 0.00 0.00 34.13 32.32 3ggv s GLU 21 CO 0.16 0.22 0.15 0.00 -0.54 0.00 0.00 175.26 175.24 3ggv s ALA 22 N 0.23 -0.07 -0.14 6.30 0.00 0.12 -4.26 121.76 123.94 3ggv s ALA 22 Ca -0.14 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 3ggv s ALA 22 Cb -0.16 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3ggv s ALA 22 CO 0.07 -0.49 0.54 -1.17 0.00 0.00 0.00 175.76 174.71 3ggv s LEU 23 N -2.88 4.24 -0.56 0.00 2.96 0.15 0.25 118.68 122.85 3ggv s LEU 23 Ca 0.06 0.85 -0.28 0.00 -0.22 0.00 0.00 54.13 54.54 3ggv s LEU 23 Cb 0.05 -2.79 0.03 0.00 0.50 0.00 0.00 46.19 43.98 3ggv s LEU 23 CO -0.10 -0.09 1.22 -0.76 -1.32 0.00 0.00 176.35 175.29 3ggv s LEU 24 N 1.01 3.47 -0.43 -0.68 1.02 -0.57 0.06 118.68 122.57 3ggv s LEU 24 Ca 0.28 0.19 0.04 0.00 0.02 0.00 0.00 54.13 54.66 3ggv s LEU 24 Cb -0.16 -3.22 0.12 0.00 0.02 0.00 0.00 46.19 42.95 3ggv s LEU 24 CO 0.11 -1.48 0.16 -0.62 0.02 0.00 0.00 176.35 174.55 3ggv s ASP 25 N 3.08 4.46 0.59 2.29 2.15 -0.36 -4.77 116.67 124.11 3ggv s ASP 25 Ca 0.45 -2.56 0.36 0.00 0.43 0.00 0.00 52.55 51.24 3ggv s ASP 25 Cb -0.08 -1.56 1.86 0.00 -0.30 0.00 0.00 42.92 42.84 3ggv s ASP 25 CO 0.26 -0.31 2.19 0.71 -0.17 0.00 0.00 175.17 177.86 3ggv h THR 26 N 6.01 0.21 -0.11 1.71 1.35 -1.94 -2.63 112.91 117.52 3ggv h THR 26 Ca -0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3ggv h THR 26 Cb 0.95 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ggv h THR 26 CO 0.59 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3ggv n GLY 27 N -0.74 -0.31 3.22 5.82 0.00 -1.26 -4.80 105.19 107.11 3ggv n GLY 27 Ca -0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.81 2.12 0.19 4.61 0.00 -0.99 -4.99 121.76 120.89 3ggv s ALA 28 Ca 0.07 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3ggv s ALA 28 Cb 0.04 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.48 3ggv s ALA 28 CO 0.05 0.31 1.62 -0.44 0.00 0.00 0.00 175.76 177.29 3ggv h ASP 29 N 6.60 0.97 -2.91 0.00 3.45 -1.88 -0.65 116.42 121.99 3ggv h ASP 29 Ca -0.22 -0.32 -0.62 0.00 0.43 0.00 0.00 57.03 56.30 3ggv h ASP 29 Cb 1.23 -0.26 -0.14 0.00 -0.56 0.00 0.00 39.33 39.59 3ggv h ASP 29 CO 0.47 1.09 -0.73 -1.81 -1.57 0.00 0.00 179.24 176.70 3ggv s ASP 30 N -6.67 4.18 -0.20 6.45 -0.00 -1.26 -3.10 116.67 116.06 3ggv s ASP 30 Ca -0.11 -0.63 -0.18 0.00 -0.00 0.00 0.00 52.55 51.64 3ggv s ASP 30 Cb 0.13 -0.67 -0.03 0.00 -0.00 0.00 0.00 42.92 42.35 3ggv s ASP 30 CO 0.86 0.09 0.48 -0.89 -0.00 0.00 0.00 175.17 175.71 3ggv s THR 31 N -1.79 5.14 -0.13 -1.27 2.01 -1.26 -3.53 115.64 114.81 3ggv s THR 31 Ca 0.25 0.87 -0.00 0.00 0.31 0.00 0.00 61.69 63.12 3ggv s THR 31 Cb -0.08 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3ggv s THR 31 CO 0.15 0.20 -0.10 0.54 -0.69 0.00 0.00 174.62 174.72 3ggv s VAL 32 N 1.54 1.23 0.16 3.82 0.11 -0.82 -0.07 120.40 126.38 3ggv s VAL 32 Ca 0.22 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 3ggv s VAL 32 Cb -0.15 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3ggv s VAL 32 CO 0.09 0.39 0.28 -0.76 -3.33 0.00 0.00 175.10 171.77 3ggv s LEU 33 N 1.62 4.28 0.80 2.54 1.43 0.67 -1.76 118.68 128.26 3ggv s LEU 33 Ca 0.05 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3ggv s LEU 33 Cb -0.13 -2.85 0.07 0.00 0.03 0.00 0.00 46.19 43.32 3ggv s LEU 33 CO -0.09 0.04 1.12 -1.61 0.23 0.00 0.00 176.35 176.04 3ggv s GLU 34 N -3.33 1.95 0.11 1.70 2.02 -1.26 -2.03 118.70 117.85 3ggv s GLU 34 Ca 0.34 1.37 -0.36 0.00 0.02 0.00 0.00 54.97 56.35 3ggv s GLU 34 Cb -0.11 -1.85 -0.16 0.00 0.10 0.00 0.00 34.13 32.12 3ggv s GLU 34 CO 0.28 -1.91 1.38 -1.91 0.02 0.00 0.00 175.26 173.13 3ggv n GLU 35 N -3.50 1.38 -3.62 1.61 4.07 -1.25 -4.68 120.64 114.65 3ggv n GLU 35 Ca 0.11 0.50 -0.02 0.00 -0.06 0.00 0.00 57.16 57.68 3ggv n GLU 35 Cb 0.52 -2.16 -0.01 0.00 -0.06 0.00 0.00 31.44 29.73 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 0.51 0.55 0.24 5.31 0.23 -1.26 -5.06 119.30 119.82 3ggv s MET 36 Ca 0.82 -0.27 -0.15 0.00 -1.03 0.00 0.00 55.69 55.07 3ggv s MET 36 Cb -0.88 0.21 -0.08 0.00 -1.53 0.00 0.00 34.83 32.55 3ggv s MET 36 CO 0.45 -0.25 0.65 -1.12 -2.03 0.00 0.00 175.02 172.73 3ggv s SER 37 N -2.66 6.82 -0.13 -1.18 0.01 -1.26 -5.07 113.70 110.23 3ggv s SER 37 Ca 0.11 1.19 -0.11 0.00 1.31 0.00 0.00 55.95 58.45 3ggv s SER 37 Cb 0.01 -2.33 0.04 0.00 0.21 0.00 0.00 66.02 63.95 3ggv s SER 37 CO -0.04 -0.06 0.35 -0.76 0.41 0.00 0.00 173.24 173.14 3ggv s LEU 38 N -2.50 0.57 0.00 2.44 1.43 -1.26 -5.12 118.68 114.24 3ggv s LEU 38 Ca 0.47 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3ggv s LEU 38 Cb -0.13 1.18 0.00 0.00 0.03 0.00 0.00 46.19 47.27 3ggv s LEU 38 CO 0.19 -0.13 0.00 -2.65 0.23 0.00 0.00 176.35 173.99 3ggv n PRO 39 N 3.14 0.00 0.00 1.29 -0.02 -1.26 -4.92 135.00 133.23 3ggv n PRO 39 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3ggv n PRO 39 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3ggv n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ggv n GLY 40 N 0.00 -2.97 3.89 -1.23 0.00 -1.26 -5.01 105.19 98.62 3ggv n GLY 40 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 2.40 -0.09 1.61 3.03 -1.26 -5.09 118.95 119.55 3ggv s ARG 41 Ca 0.00 0.27 -0.14 0.00 2.03 0.00 0.00 55.73 57.89 3ggv s ARG 41 Cb 0.00 -1.99 0.03 0.00 -1.03 0.00 0.00 34.95 31.96 3ggv s ARG 41 CO 0.00 -1.32 0.35 1.67 -1.13 0.00 0.00 175.30 174.87 3ggv s TRP 42 N -3.47 -0.32 0.05 5.89 1.48 -1.26 -4.56 118.94 116.75 3ggv s TRP 42 Ca 0.60 0.70 0.04 0.00 -1.06 0.00 0.00 56.10 56.38 3ggv s TRP 42 Cb -0.11 0.13 -0.04 0.00 -1.16 0.00 0.00 33.47 32.29 3ggv s TRP 42 CO 0.50 -0.28 -0.06 0.15 -4.06 0.00 0.00 176.95 173.21 3ggv s LYS 43 N -0.43 2.46 0.78 3.25 1.02 -0.98 -4.88 119.74 120.96 3ggv s LYS 43 Ca -0.06 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 54.98 3ggv s LYS 43 Cb -0.04 -2.47 0.07 0.00 -0.52 0.00 0.00 37.83 34.87 3ggv s LYS 43 CO 0.02 0.57 1.21 -1.25 -0.92 0.00 0.00 175.35 174.97 3ggv s PRO 44 N -1.81 1.84 -0.23 -1.68 0.04 -1.26 0.52 135.00 132.41 3ggv s PRO 44 Ca 0.20 1.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.81 3ggv s PRO 44 Cb -0.11 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.69 3ggv s PRO 44 CO 0.12 -2.06 0.59 0.21 0.04 0.00 0.00 177.00 175.89 3ggv s LYS 45 N -4.06 0.66 0.02 4.56 2.20 -0.99 -4.74 119.74 117.38 3ggv s LYS 45 Ca 0.73 0.91 -0.16 0.00 -0.36 0.00 0.00 55.97 57.09 3ggv s LYS 45 Cb -0.29 0.25 -0.06 0.00 -1.51 0.00 0.00 37.83 36.22 3ggv s LYS 45 CO 0.49 -0.11 0.46 -1.64 -0.36 0.00 0.00 175.35 174.19 3ggv s MET 46 N 0.74 4.02 -0.06 4.03 -1.94 -1.26 -2.25 119.30 122.58 3ggv s MET 46 Ca -0.03 0.51 0.00 0.00 -1.71 0.00 0.00 55.69 54.46 3ggv s MET 46 Cb -0.05 -3.23 0.02 0.00 2.01 0.00 0.00 34.83 33.58 3ggv s MET 46 CO -0.05 0.66 -0.03 0.96 -0.01 0.00 0.00 175.02 176.54 3ggv s ILE 47 N -1.03 0.52 -0.14 2.53 -4.36 -0.66 -4.95 121.20 113.11 3ggv s ILE 47 Ca 0.25 -0.06 -0.09 0.00 -0.26 0.00 0.00 60.65 60.49 3ggv s ILE 47 Cb -0.17 -0.58 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 3ggv s ILE 47 CO 0.15 0.24 0.16 -0.83 0.24 0.00 0.00 174.94 174.91 3ggv s GLY 48 N 1.26 2.15 0.00 6.27 0.00 -1.26 -1.06 107.32 114.68 3ggv s GLY 48 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3ggv s GLY 48 CO -0.02 -0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.53 3ggv n GLY 49 N 2.47 3.52 0.11 0.20 0.00 -0.73 -4.98 105.19 105.79 3ggv n GLY 49 Ca -0.18 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 3ggv n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ggv h ILE 50 N 0.00 1.41 -0.56 -0.61 1.08 -2.01 -3.34 117.51 113.47 3ggv h ILE 50 Ca 0.00 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.97 3ggv h ILE 50 Cb 0.00 2.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.95 3ggv h ILE 50 CO 0.00 0.42 0.00 0.61 -0.69 0.00 0.00 178.15 178.49 3ggv n GLY 51 N 0.48 2.52 0.00 5.37 0.00 -1.26 -5.03 105.19 107.27 3ggv n GLY 51 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.92 0.32 3.19 -0.02 0.00 -1.26 -5.13 105.19 103.21 3ggv n GLY 52 Ca 0.23 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 3ggv n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ggv s PHE 53 N -2.41 0.53 0.04 1.61 -0.71 -1.26 -1.77 117.98 114.01 3ggv s PHE 53 Ca 0.00 -0.96 -0.01 0.00 -1.04 0.00 0.00 56.93 54.92 3ggv s PHE 53 Cb 0.00 -0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 3ggv s PHE 53 CO 0.00 -0.54 -0.01 0.96 -1.34 0.00 0.00 175.22 174.30 3ggv s ILE 54 N -3.96 0.17 -0.11 -4.49 -4.36 -0.23 -4.95 121.20 103.26 3ggv s ILE 54 Ca 0.15 -1.37 -0.29 0.00 -0.26 0.00 0.00 60.65 58.87 3ggv s ILE 54 Cb 0.06 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 3ggv s ILE 54 CO -0.04 -0.76 1.48 -0.54 0.24 0.00 0.00 174.94 175.32 3ggv s LYS 55 N -2.84 4.18 0.27 0.37 1.02 -1.26 -1.66 119.74 119.82 3ggv s LYS 55 Ca -0.03 1.93 0.02 0.00 0.02 0.00 0.00 55.97 57.91 3ggv s LYS 55 Cb 0.00 -3.89 -0.05 0.00 -0.52 0.00 0.00 37.83 33.37 3ggv s LYS 55 CO -0.06 -0.81 0.08 0.14 -0.92 0.00 0.00 175.35 173.78 3ggv s VAL 56 N 3.86 0.74 -0.15 3.17 -7.23 -0.95 -4.35 120.40 115.48 3ggv s VAL 56 Ca 0.65 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3ggv s VAL 56 Cb -0.28 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.04 3ggv s VAL 56 CO 0.23 -0.05 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.68 3ggv s ARG 57 N -3.98 3.20 -0.17 4.82 0.52 0.19 -2.35 118.95 121.18 3ggv s ARG 57 Ca 0.36 -0.76 -0.17 0.00 -0.52 0.00 0.00 55.73 54.64 3ggv s ARG 57 Cb 0.08 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 3ggv s ARG 57 CO 0.13 0.01 0.45 -1.14 0.02 0.00 0.00 175.30 174.77 3ggv s GLN 58 N 0.83 4.23 -0.10 3.54 0.74 0.18 -1.76 119.66 127.33 3ggv s GLN 58 Ca -0.05 0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.73 3ggv s GLN 58 Cb -0.15 -3.51 -0.00 0.00 1.10 0.00 0.00 33.01 30.45 3ggv s GLN 58 CO -0.00 0.00 -0.22 0.71 -0.55 0.00 0.00 175.29 175.23 3ggv s TYR 59 N 1.15 2.60 0.48 1.67 1.51 -0.80 -2.31 117.35 121.65 3ggv s TYR 59 Ca 0.22 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 3ggv s TYR 59 Cb -0.15 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 3ggv s TYR 59 CO 0.09 -0.38 0.69 -0.51 -1.11 0.00 0.00 175.55 174.32 3ggv s ASP 60 N 0.34 5.65 -1.51 2.29 1.01 -1.26 -1.55 116.67 121.64 3ggv s ASP 60 Ca -0.18 0.13 -0.04 0.00 0.71 0.00 0.00 52.55 53.18 3ggv s ASP 60 Cb -0.18 -1.27 0.03 0.00 1.01 0.00 0.00 42.92 42.52 3ggv s ASP 60 CO 0.08 -0.83 0.39 0.00 0.21 0.00 0.00 175.17 175.02 3ggv n GLN 61 N -2.13 -2.65 -3.91 8.23 1.13 -1.26 -4.88 117.38 111.92 3ggv n GLN 61 Ca 0.04 0.32 -0.35 0.00 -1.94 0.00 0.00 57.00 55.06 3ggv n GLN 61 Cb 0.58 -4.41 -0.08 0.00 0.11 0.00 0.00 30.24 26.44 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 -3.92 5.10 -0.15 5.09 -1.09 -0.93 -4.80 121.20 120.50 3ggv s ILE 62 Ca 0.15 0.07 -0.20 0.00 -2.23 0.00 0.00 60.65 58.45 3ggv s ILE 62 Cb -0.09 -3.29 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 3ggv s ILE 62 CO 0.93 0.49 0.57 -0.22 -1.23 0.00 0.00 174.94 175.47 3ggv s LEU 63 N 0.08 4.21 0.06 2.97 2.96 -1.26 -0.51 118.68 127.20 3ggv s LEU 63 Ca 0.07 0.85 0.08 0.00 -0.22 0.00 0.00 54.13 54.91 3ggv s LEU 63 Cb -0.12 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 3ggv s LEU 63 CO -0.00 -0.14 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.04 3ggv s ILE 64 N 1.27 1.78 -0.34 6.68 1.01 0.30 -4.60 121.20 127.30 3ggv s ILE 64 Ca 0.28 -1.33 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 3ggv s ILE 64 Cb -0.16 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.81 3ggv s ILE 64 CO 0.11 0.17 0.09 -0.70 0.00 0.00 0.00 174.94 174.61 3ggv s GLU 65 N -1.39 2.40 -0.39 2.79 2.12 -0.20 -0.82 118.70 123.21 3ggv s GLU 65 Ca 0.08 -1.37 -0.15 0.00 0.36 0.00 0.00 54.97 53.90 3ggv s GLU 65 Cb -0.09 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.92 3ggv s GLU 65 CO 0.03 -0.75 0.30 0.42 -0.54 0.00 0.00 175.26 174.72 3ggv s ILE 66 N 1.28 5.25 -1.66 -3.70 1.09 0.28 -0.41 121.20 123.32 3ggv s ILE 66 Ca -0.01 -0.47 0.00 0.00 -1.10 0.00 0.00 60.65 59.07 3ggv s ILE 66 Cb -0.20 -3.87 0.00 0.00 -1.06 0.00 0.00 42.46 37.32 3ggv s ILE 66 CO -0.00 -0.23 0.00 0.00 -0.10 0.00 0.00 174.94 174.61 3ggv n GLY 68 N -0.93 1.21 3.48 0.00 0.00 -1.26 -5.01 105.19 102.68 3ggv n GLY 68 Ca -0.19 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.89 2.96 0.16 1.61 3.76 0.14 -5.08 115.29 117.96 3ggv s HIS 69 Ca 0.00 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.29 3ggv s HIS 69 Cb 0.00 -1.89 -0.07 0.00 1.11 0.00 0.00 32.58 31.73 3ggv s HIS 69 CO 0.00 -0.01 1.07 0.15 -0.85 0.00 0.00 174.74 175.10 3ggv s LYS 70 N 0.16 4.61 -0.06 1.40 1.02 -1.26 -0.56 119.74 125.04 3ggv s LYS 70 Ca -0.03 1.66 -0.03 0.00 0.02 0.00 0.00 55.97 57.60 3ggv s LYS 70 Cb -0.14 -3.30 0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3ggv s LYS 70 CO 0.03 0.09 0.14 0.00 -0.92 0.00 0.00 175.35 174.69 3ggv s ALA 71 N -0.15 -0.25 -0.04 5.17 0.00 0.00 -4.57 121.76 121.93 3ggv s ALA 71 Ca 0.49 0.64 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3ggv s ALA 71 Cb -0.28 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 3ggv s ALA 71 CO 0.34 -0.15 -0.09 0.42 0.00 0.00 0.00 175.76 176.28 3ggv s ILE 72 N 1.10 3.53 -4.70 0.00 1.01 -1.26 -0.54 121.20 120.34 3ggv s ILE 72 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.91 3ggv s ILE 72 Cb -0.11 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3ggv s ILE 72 CO -0.05 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.02 3ggv n GLY 73 N 1.99 -2.55 3.70 6.18 0.00 0.34 -4.90 105.19 109.95 3ggv n GLY 73 Ca -0.17 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.21 3.01 -0.04 2.61 2.01 -1.26 -2.19 115.64 117.57 3ggv s THR 74 Ca 0.00 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.61 3ggv s THR 74 Cb 0.00 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 3ggv s THR 74 CO 0.00 0.01 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.03 3ggv s VAL 75 N 2.17 2.38 -0.09 3.82 1.01 -0.60 -4.42 120.40 124.68 3ggv s VAL 75 Ca 0.72 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3ggv s VAL 75 Cb -0.40 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3ggv s VAL 75 CO 0.31 0.58 -0.02 -0.76 0.00 0.00 0.00 175.10 175.21 3ggv s LEU 76 N -0.53 3.45 -0.09 3.92 1.43 0.90 -1.91 118.68 125.85 3ggv s LEU 76 Ca 0.07 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 3ggv s LEU 76 Cb -0.11 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 3ggv s LEU 76 CO 0.01 0.36 -0.24 -0.69 0.23 0.00 0.00 176.35 176.01 3ggv s VAL 77 N -0.78 2.07 -1.58 -1.59 1.01 -0.72 0.24 120.40 119.05 3ggv s VAL 77 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3ggv s VAL 77 Cb -0.11 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3ggv s VAL 77 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ggv n GLY 78 N 3.41 -1.60 3.55 4.51 0.00 -0.86 0.57 105.19 114.76 3ggv n GLY 78 Ca -0.19 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 3ggv n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ggv s PRO 79 N -1.74 4.02 -0.08 1.61 0.05 -1.26 -3.82 135.00 133.78 3ggv s PRO 79 Ca 0.00 -2.17 0.03 0.00 0.05 0.00 0.00 61.00 58.91 3ggv s PRO 79 Cb 0.00 -5.40 -0.02 0.00 0.05 0.00 0.00 34.50 29.13 3ggv s PRO 79 CO 0.00 -2.12 -0.15 -0.08 0.05 0.00 0.00 177.00 174.70 3ggv s THR 80 N 3.47 2.93 0.63 1.26 -1.32 -1.26 -5.02 115.64 116.33 3ggv s THR 80 Ca 0.51 -0.75 0.36 0.00 -1.21 0.00 0.00 61.69 60.60 3ggv s THR 80 Cb 0.02 -2.17 0.39 0.00 -1.51 0.00 0.00 72.50 69.24 3ggv s THR 80 CO 0.06 0.57 2.24 1.55 -2.21 0.00 0.00 174.62 176.83 3ggv h PRO 81 N 5.89 0.00 -4.42 7.08 0.13 -1.98 -3.42 132.00 135.28 3ggv h PRO 81 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 3ggv h PRO 81 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3ggv h PRO 81 CO 0.52 0.00 -0.59 0.08 -0.23 0.00 0.00 178.00 177.77 3ggv s VAL 82 N -4.37 0.05 -0.01 1.56 1.01 -1.26 -5.08 120.40 112.31 3ggv s VAL 82 Ca -0.05 -1.89 -0.24 0.00 0.00 0.00 0.00 61.98 59.80 3ggv s VAL 82 Cb 0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3ggv s VAL 82 CO 0.46 -0.25 0.74 0.20 0.00 0.00 0.00 175.10 176.25 3ggv s ASN 83 N -3.09 7.11 -0.18 3.32 0.01 -1.26 -4.48 114.94 116.38 3ggv s ASN 83 Ca 0.29 1.33 -0.00 0.00 -0.71 0.00 0.00 52.86 53.78 3ggv s ASN 83 Cb 0.07 -2.44 0.01 0.00 0.41 0.00 0.00 41.25 39.29 3ggv s ASN 83 CO 0.06 -0.05 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.81 3ggv s ILE 84 N 0.38 2.56 -0.45 0.60 1.01 -0.72 0.33 121.20 124.92 3ggv s ILE 84 Ca 0.39 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 60.08 3ggv s ILE 84 Cb -0.19 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.22 3ggv s ILE 84 CO 0.21 0.51 0.46 -0.63 0.00 0.00 0.00 174.94 175.48 3ggv s ILE 85 N 1.13 5.08 0.76 2.92 -1.09 0.11 -1.94 121.20 128.17 3ggv s ILE 85 Ca 0.01 -0.53 -0.05 0.00 -2.23 0.00 0.00 60.65 57.84 3ggv s ILE 85 Cb -0.14 -4.10 0.16 0.00 -1.58 0.00 0.00 42.46 36.80 3ggv s ILE 85 CO -0.06 -0.52 1.04 0.61 -1.23 0.00 0.00 174.94 174.78 3ggv n GLY 86 N 5.14 -0.08 0.34 6.18 0.00 -1.23 -1.22 105.19 114.32 3ggv n GLY 86 Ca -0.08 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 44.03 3ggv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ggv h ARG 87 N 0.00 0.92 -0.76 1.61 3.08 -1.20 -1.42 114.38 116.60 3ggv h ARG 87 Ca -0.34 -0.07 0.22 0.00 0.07 0.00 0.00 59.98 59.86 3ggv h ARG 87 Cb 1.13 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3ggv h ARG 87 CO 0.32 0.63 0.67 -2.95 -1.07 0.00 0.00 179.97 177.56 3ggv h ASN 88 N 0.94 0.00 0.00 7.04 -1.07 -1.80 -0.88 115.58 119.82 3ggv h ASN 88 Ca 0.25 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.32 3ggv h ASN 88 Cb -0.07 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.12 3ggv h ASN 88 CO -0.05 0.00 -2.13 0.18 0.07 0.00 0.00 177.43 175.50 3ggv n LEU 89 N -3.89 1.75 -0.13 6.14 4.77 -0.73 -4.39 117.00 120.54 3ggv n LEU 89 Ca 0.16 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.03 3ggv n LEU 89 Cb 0.94 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.81 3ggv n LEU 89 CO 0.32 0.66 0.87 -0.07 -1.33 0.00 0.00 177.39 177.85 3ggv h LEU 90 N 0.00 -0.09 -0.83 2.23 3.38 -0.19 -1.42 115.31 118.39 3ggv h LEU 90 Ca -0.44 0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.72 3ggv h LEU 90 Cb 1.82 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.63 3ggv h LEU 90 CO -0.03 -0.01 0.46 0.71 0.09 0.00 0.00 178.44 179.66 3ggv h THR 91 N 0.15 0.85 0.00 0.22 1.35 -1.50 -1.41 112.91 112.58 3ggv h THR 91 Ca 0.20 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.75 3ggv h THR 91 Cb 0.28 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 3ggv h THR 91 CO -0.31 0.13 -0.32 1.56 -0.25 0.00 0.00 175.52 176.34 3ggv h GLN 92 N 0.74 0.00 -0.60 4.72 1.08 -1.48 -0.70 115.11 118.88 3ggv h GLN 92 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3ggv h GLN 92 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3ggv h GLN 92 CO -0.28 0.32 0.00 0.44 -0.95 0.00 0.00 178.83 178.35 3ggv n ILE 93 N -3.97 1.10 -3.10 2.54 -6.64 -0.83 -4.86 119.36 103.60 3ggv n ILE 93 Ca -0.02 -0.83 -0.14 0.00 -1.77 0.00 0.00 62.75 59.99 3ggv n ILE 93 Cb 0.38 0.19 0.05 0.00 -1.44 0.00 0.00 39.64 38.82 3ggv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3ggv n GLY 94 N 1.16 0.01 3.61 3.28 0.00 -0.27 -5.00 105.19 107.99 3ggv n GLY 94 Ca 0.19 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 1.82 1.38 0.27 0.00 -4.23 -1.26 -4.61 115.64 109.01 3ggv s THR 96 Ca 0.13 -1.24 -0.29 0.00 -1.18 0.00 0.00 61.69 59.10 3ggv s THR 96 Cb -0.16 -1.25 -0.09 0.00 1.34 0.00 0.00 72.50 72.34 3ggv s THR 96 CO 0.10 -0.01 1.06 -0.76 -0.54 0.00 0.00 174.62 174.46 3ggv s LEU 97 N -1.46 4.57 -0.01 4.79 1.02 -1.26 -5.06 118.68 121.27 3ggv s LEU 97 Ca 0.03 2.19 -0.03 0.00 0.02 0.00 0.00 54.13 56.34 3ggv s LEU 97 Cb -0.09 -3.63 -0.00 0.00 0.02 0.00 0.00 46.19 42.49 3ggv s LEU 97 CO 0.02 -0.07 0.07 0.20 0.02 0.00 0.00 176.35 176.59 3ggv s ASN 98 N -0.96 0.02 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.87 3ggv s ASN 98 Ca 0.44 -0.09 0.00 0.00 -1.57 0.00 0.00 52.86 51.64 3ggv s ASN 98 Cb -0.30 0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 3ggv s ASN 98 CO 0.39 -0.18 0.00 2.22 -2.57 0.00 0.00 177.10 176.96