#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 0.66 -0.15 0.54 0.74 -1.26 -5.10 119.66 115.09 3ggv s GLN 2 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.39 3ggv s GLN 2 Cb 0.00 -1.24 -0.00 0.00 1.10 0.00 0.00 33.01 32.86 3ggv s GLN 2 CO 0.00 -0.37 -0.15 0.42 -0.55 0.00 0.00 175.29 174.64 3ggv s ILE 3 N 1.94 2.73 0.70 -2.34 1.01 -1.26 -5.11 121.20 118.87 3ggv s ILE 3 Ca 0.04 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3ggv s ILE 3 Cb -0.13 -2.15 0.06 0.00 0.01 0.00 0.00 42.46 40.25 3ggv s ILE 3 CO -0.06 0.51 1.01 0.42 0.00 0.00 0.00 174.94 176.82 3ggv s THR 4 N 0.75 2.29 -0.14 2.92 -4.23 -1.26 -5.03 115.64 110.94 3ggv s THR 4 Ca -0.06 -0.29 0.15 0.00 -1.18 0.00 0.00 61.69 60.30 3ggv s THR 4 Cb -0.15 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.05 3ggv s THR 4 CO 0.01 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.45 3ggv n LEU 5 N -2.90 2.15 -0.08 4.79 4.77 -1.26 -4.59 117.00 119.88 3ggv n LEU 5 Ca 0.08 -3.19 -0.06 0.00 -0.03 0.00 0.00 56.01 52.81 3ggv n LEU 5 Cb 0.60 -0.38 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3ggv n LEU 5 CO 0.52 1.00 0.74 -0.50 -1.33 0.00 0.00 177.39 177.82 3ggv h TRP 6 N 0.67 0.83 -2.12 -1.77 4.06 -2.06 -3.44 115.95 112.11 3ggv h TRP 6 Ca -0.04 -0.17 -0.59 0.00 2.06 0.00 0.00 58.89 60.15 3ggv h TRP 6 Cb 1.17 -0.20 -0.12 0.00 -1.00 0.00 0.00 29.16 29.00 3ggv h TRP 6 CO 0.43 0.87 -0.70 -0.65 -3.56 0.00 0.00 178.44 174.83 3ggv s GLN 7 N -4.67 1.92 0.21 0.49 -0.21 -1.26 -5.09 119.66 111.05 3ggv s GLN 7 Ca -0.09 -1.70 -0.32 0.00 0.02 0.00 0.00 55.36 53.27 3ggv s GLN 7 Cb 0.13 -1.89 -0.12 0.00 1.00 0.00 0.00 33.01 32.13 3ggv s GLN 7 CO 0.82 0.28 1.67 0.54 -2.12 0.00 0.00 175.29 176.49 3ggv n ARG 8 N -0.77 2.62 -0.64 2.91 1.74 -1.26 -4.81 116.66 116.45 3ggv n ARG 8 Ca -0.05 0.94 -0.18 0.00 -0.77 0.00 0.00 57.85 57.79 3ggv n ARG 8 Cb 0.61 -2.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.26 3ggv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ggv n PRO 9 N 3.59 1.77 -2.70 5.56 -0.04 -1.26 -4.85 135.00 137.07 3ggv n PRO 9 Ca 0.15 -1.27 -0.43 0.00 -0.04 0.00 0.00 63.50 61.92 3ggv n PRO 9 Cb 0.34 -2.34 -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 0.08 4.18 0.37 1.53 1.43 -1.26 -1.17 118.68 123.84 3ggv s LEU 10 Ca 0.35 1.44 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 3ggv s LEU 10 Cb 0.10 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 3ggv s LEU 10 CO -0.03 -0.52 0.12 0.54 0.23 0.00 0.00 176.35 176.69 3ggv s VAL 11 N 2.47 0.63 -0.01 -1.59 0.11 0.49 -4.94 120.40 117.56 3ggv s VAL 11 Ca 0.46 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 57.39 3ggv s VAL 11 Cb -0.17 -2.47 -0.05 0.00 -1.53 0.00 0.00 36.38 32.16 3ggv s VAL 11 CO 0.13 0.00 0.34 0.42 -3.33 0.00 0.00 175.10 172.66 3ggv s THR 12 N -3.32 5.16 0.09 5.04 -4.23 -1.26 -0.93 115.64 116.18 3ggv s THR 12 Ca 0.29 0.60 0.03 0.00 -1.18 0.00 0.00 61.69 61.42 3ggv s THR 12 Cb 0.04 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 3ggv s THR 12 CO 0.16 0.52 -0.08 0.27 -0.54 0.00 0.00 174.62 174.95 3ggv s ILE 13 N -1.14 0.77 -0.18 2.99 -4.36 0.17 -2.21 121.20 117.25 3ggv s ILE 13 Ca 0.24 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 3ggv s ILE 13 Cb -0.15 -1.43 0.03 0.00 1.25 0.00 0.00 42.46 42.15 3ggv s ILE 13 CO 0.12 -0.70 -0.16 -0.75 0.24 0.00 0.00 174.94 173.69 3ggv s LYS 14 N -3.18 2.62 -0.02 0.37 2.20 -0.35 -0.78 119.74 120.60 3ggv s LYS 14 Ca 0.07 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 3ggv s LYS 14 Cb 0.00 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.84 3ggv s LYS 14 CO -0.02 -0.29 -0.11 0.42 -0.36 0.00 0.00 175.35 174.99 3ggv s ILE 15 N 1.32 0.90 -1.69 5.43 1.01 -0.65 -1.37 121.20 126.15 3ggv s ILE 15 Ca 0.03 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 3ggv s ILE 15 Cb -0.14 -0.78 0.14 0.00 0.01 0.00 0.00 42.46 41.69 3ggv s ILE 15 CO -0.11 0.27 0.63 0.61 0.00 0.00 0.00 174.94 176.34 3ggv n GLY 16 N 3.07 -0.38 2.37 6.18 0.00 -1.26 -0.11 105.19 115.06 3ggv n GLY 16 Ca -0.16 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.50 0.86 3.20 -0.02 0.00 -1.26 -5.01 105.19 101.46 3ggv n GLY 17 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.80 1.57 -0.12 1.61 -0.21 0.84 -5.11 119.66 114.44 3ggv s GLN 18 Ca 0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.38 3ggv s GLN 18 Cb 0.00 -1.53 -0.01 0.00 1.00 0.00 0.00 33.01 32.47 3ggv s GLN 18 CO 0.00 0.42 1.04 -0.51 -2.12 0.00 0.00 175.29 174.12 3ggv s LEU 19 N -0.47 4.23 0.33 2.90 1.43 -1.26 -1.64 118.68 124.20 3ggv s LEU 19 Ca 0.07 1.55 0.06 0.00 -1.03 0.00 0.00 54.13 54.78 3ggv s LEU 19 Cb -0.08 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.53 3ggv s LEU 19 CO -0.01 -0.50 -0.01 -0.54 0.23 0.00 0.00 176.35 175.52 3ggv s LYS 20 N 2.24 1.72 -0.14 1.70 1.02 0.04 -4.96 119.74 121.35 3ggv s LYS 20 Ca 0.49 -1.93 -0.00 0.00 0.02 0.00 0.00 55.97 54.55 3ggv s LYS 20 Cb -0.19 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.85 3ggv s LYS 20 CO 0.17 -0.04 -0.13 -2.00 -0.92 0.00 0.00 175.35 172.43 3ggv s GLU 21 N -3.76 3.37 0.10 1.68 2.12 -1.26 -0.65 118.70 120.29 3ggv s GLU 21 Ca 0.33 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 55.05 3ggv s GLU 21 Cb 0.07 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 3ggv s GLU 21 CO 0.15 0.17 -0.20 0.00 -0.54 0.00 0.00 175.26 174.83 3ggv s ALA 22 N 0.47 1.73 -0.01 6.30 0.00 -0.11 -4.36 121.76 125.79 3ggv s ALA 22 Ca -0.09 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 3ggv s ALA 22 Cb -0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3ggv s ALA 22 CO 0.04 0.34 0.61 -1.17 0.00 0.00 0.00 175.76 175.59 3ggv s LEU 23 N -1.84 4.41 -0.91 0.00 2.96 0.15 -0.38 118.68 123.07 3ggv s LEU 23 Ca 0.06 1.17 -0.21 0.00 -0.22 0.00 0.00 54.13 54.93 3ggv s LEU 23 Cb -0.10 -2.95 0.09 0.00 0.50 0.00 0.00 46.19 43.74 3ggv s LEU 23 CO 0.04 0.08 1.21 -0.76 -1.32 0.00 0.00 176.35 175.60 3ggv s LEU 24 N -0.12 4.42 -0.35 -0.68 1.02 -0.31 -1.62 118.68 121.03 3ggv s LEU 24 Ca 0.32 -1.65 -0.10 0.00 0.02 0.00 0.00 54.13 52.71 3ggv s LEU 24 Cb -0.18 -2.46 0.02 0.00 0.02 0.00 0.00 46.19 43.58 3ggv s LEU 24 CO 0.17 -1.28 0.18 -0.62 0.02 0.00 0.00 176.35 174.83 3ggv s ASP 25 N 4.04 5.65 0.27 2.29 -1.08 -1.02 -4.86 116.67 121.97 3ggv s ASP 25 Ca 0.35 -0.83 0.15 0.00 -0.52 0.00 0.00 52.55 51.69 3ggv s ASP 25 Cb -0.05 -2.01 0.14 0.00 -1.46 0.00 0.00 42.92 39.54 3ggv s ASP 25 CO -0.06 -0.32 1.47 0.71 0.52 0.00 0.00 175.17 177.50 3ggv h THR 26 N 5.81 0.99 -0.34 1.71 1.35 -1.95 -3.08 112.91 117.40 3ggv h THR 26 Ca -0.28 -2.26 -0.10 0.00 -0.55 0.00 0.00 66.41 63.22 3ggv h THR 26 Cb 1.12 2.39 -0.06 0.00 -1.73 0.00 0.00 68.15 69.87 3ggv h THR 26 CO 0.65 0.54 0.13 0.61 -0.25 0.00 0.00 175.52 177.19 3ggv n GLY 27 N 1.06 2.58 3.28 5.82 0.00 -1.26 -4.77 105.19 111.90 3ggv n GLY 27 Ca 0.01 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.67 2.51 0.02 4.61 0.00 -1.16 -5.01 121.76 121.06 3ggv s ALA 28 Ca 0.25 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.00 3ggv s ALA 28 Cb 0.20 -1.22 -0.19 0.00 0.00 0.00 0.00 23.12 21.92 3ggv s ALA 28 CO 0.06 0.03 1.20 -0.44 0.00 0.00 0.00 175.76 176.61 3ggv h ASP 29 N 7.18 0.47 -2.39 0.00 3.45 -1.88 -0.40 116.42 122.86 3ggv h ASP 29 Ca -0.31 -0.65 -0.54 0.00 0.43 0.00 0.00 57.03 55.97 3ggv h ASP 29 Cb 1.20 -0.14 -0.07 0.00 -0.56 0.00 0.00 39.33 39.76 3ggv h ASP 29 CO 0.56 1.04 -0.58 -1.81 -1.57 0.00 0.00 179.24 176.89 3ggv s ASP 30 N -6.48 5.21 -0.16 6.45 1.01 -1.26 -3.53 116.67 117.91 3ggv s ASP 30 Ca -0.14 -0.33 -0.19 0.00 0.71 0.00 0.00 52.55 52.61 3ggv s ASP 30 Cb 0.04 -1.24 -0.04 0.00 1.01 0.00 0.00 42.92 42.70 3ggv s ASP 30 CO 0.79 0.01 0.51 -0.89 0.21 0.00 0.00 175.17 175.80 3ggv s THR 31 N -2.05 5.13 -0.10 -1.27 2.01 -1.26 -3.43 115.64 114.68 3ggv s THR 31 Ca 0.31 0.98 0.02 0.00 0.31 0.00 0.00 61.69 63.31 3ggv s THR 31 Cb -0.08 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3ggv s THR 31 CO 0.23 0.24 -0.15 0.54 -0.69 0.00 0.00 174.62 174.79 3ggv s VAL 32 N 1.21 1.44 0.26 3.82 0.11 -0.86 -1.08 120.40 125.30 3ggv s VAL 32 Ca 0.25 -0.62 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 3ggv s VAL 32 Cb -0.15 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 3ggv s VAL 32 CO 0.10 0.43 0.16 -0.76 -3.33 0.00 0.00 175.10 171.70 3ggv s LEU 33 N 0.92 3.66 0.63 2.54 1.43 -0.15 -0.33 118.68 127.39 3ggv s LEU 33 Ca -0.08 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.49 3ggv s LEU 33 Cb -0.15 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 3ggv s LEU 33 CO -0.00 -0.05 1.16 -1.61 0.23 0.00 0.00 176.35 176.08 3ggv s GLU 34 N -3.81 2.82 -0.11 1.70 2.02 -1.26 -1.98 118.70 118.08 3ggv s GLU 34 Ca 0.33 1.65 -0.17 0.00 0.02 0.00 0.00 54.97 56.80 3ggv s GLU 34 Cb -0.07 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.15 3ggv s GLU 34 CO 0.24 -1.28 0.53 -1.91 0.02 0.00 0.00 175.26 172.85 3ggv n GLU 35 N -2.00 0.00 0.00 1.61 4.07 -1.15 -4.67 120.64 118.50 3ggv n GLU 35 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3ggv n GLU 35 Cb 0.51 -0.57 0.00 0.00 -0.06 0.00 0.00 31.44 31.32 3ggv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ggv n MET 36 N 1.13 0.00 -4.70 5.31 0.00 -1.26 -5.05 117.12 112.55 3ggv n MET 36 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.47 3ggv n MET 36 Cb -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 3ggv n MET 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3ggv s SER 37 N 0.00 4.32 0.05 3.17 1.04 -1.26 -5.03 113.70 115.98 3ggv s SER 37 Ca 0.00 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 3ggv s SER 37 Cb 0.00 -0.97 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 3ggv s SER 37 CO 0.00 0.33 -0.03 -0.76 0.98 0.00 0.00 173.24 173.76 3ggv s LEU 38 N -0.97 2.47 0.96 2.42 1.02 -1.26 -5.06 118.68 118.27 3ggv s LEU 38 Ca 0.13 -0.97 -0.11 0.00 0.02 0.00 0.00 54.13 53.20 3ggv s LEU 38 Cb -0.11 0.19 0.14 0.00 0.02 0.00 0.00 46.19 46.43 3ggv s LEU 38 CO 0.03 -0.58 0.94 -0.81 0.02 0.00 0.00 176.35 175.95 3ggv n PRO 39 N 0.20 -0.67 0.00 1.29 -0.04 -1.26 -4.86 135.00 129.66 3ggv n PRO 39 Ca -0.15 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 3ggv n PRO 39 Cb 0.61 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3ggv n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ggv n GLY 40 N 0.66 -1.60 3.67 0.55 0.00 -1.26 -4.97 105.19 102.25 3ggv n GLY 40 Ca 0.10 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 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 2.09 0.01 1.61 1.70 -1.26 -5.15 118.95 117.95 3ggv s ARG 41 Ca 0.00 -1.94 0.03 0.00 -0.47 0.00 0.00 55.73 53.35 3ggv s ARG 41 Cb 0.00 -1.83 -0.01 0.00 -0.57 0.00 0.00 34.95 32.54 3ggv s ARG 41 CO 0.00 -0.06 -0.11 1.67 -1.08 0.00 0.00 175.30 175.73 3ggv s TRP 42 N -2.64 0.94 0.62 5.89 1.48 -1.26 -4.65 118.94 119.32 3ggv s TRP 42 Ca 0.38 -0.23 -0.13 0.00 -1.06 0.00 0.00 56.10 55.05 3ggv s TRP 42 Cb 0.06 -0.59 -0.03 0.00 -1.16 0.00 0.00 33.47 31.75 3ggv s TRP 42 CO 0.20 -0.01 1.04 0.15 -4.06 0.00 0.00 176.95 174.27 3ggv s LYS 43 N -0.53 3.38 0.23 3.25 1.02 -0.30 -4.77 119.74 122.02 3ggv s LYS 43 Ca 0.02 0.98 -0.18 0.00 0.02 0.00 0.00 55.97 56.81 3ggv s LYS 43 Cb -0.05 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.13 3ggv s LYS 43 CO 0.00 -0.74 0.71 -1.25 -0.92 0.00 0.00 175.35 173.14 3ggv s PRO 44 N -4.61 4.19 -0.02 -1.68 0.04 -1.26 -0.20 135.00 131.46 3ggv s PRO 44 Ca 0.59 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 3ggv s PRO 44 Cb -0.13 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.60 3ggv s PRO 44 CO 0.45 0.37 0.04 0.21 0.04 0.00 0.00 177.00 178.11 3ggv s LYS 45 N -2.12 0.03 -0.50 4.56 2.20 -0.58 -4.88 119.74 118.45 3ggv s LYS 45 Ca 0.44 0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.98 3ggv s LYS 45 Cb -0.16 -0.04 0.10 0.00 -1.51 0.00 0.00 37.83 36.23 3ggv s LYS 45 CO 0.20 -0.04 0.44 -1.64 -0.36 0.00 0.00 175.35 173.95 3ggv s MET 46 N 0.25 2.95 0.04 4.03 -1.94 -1.26 -0.84 119.30 122.53 3ggv s MET 46 Ca -0.02 -1.53 0.00 0.00 -1.71 0.00 0.00 55.69 52.43 3ggv s MET 46 Cb -0.03 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.59 3ggv s MET 46 CO -0.01 -1.17 0.15 0.96 -0.01 0.00 0.00 175.02 174.95 3ggv s ILE 47 N 1.60 5.08 0.00 2.53 -4.36 -0.91 -4.96 121.20 120.18 3ggv s ILE 47 Ca 0.04 -0.43 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 3ggv s ILE 47 Cb -0.27 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.02 3ggv s ILE 47 CO 0.05 0.22 0.00 0.61 0.24 0.00 0.00 174.94 176.05 3ggv n GLY 48 N 0.63 -1.45 0.00 6.27 0.00 -1.26 -2.92 105.19 106.46 3ggv n GLY 48 Ca -0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 2.15 0.91 0.07 -0.02 0.00 -1.26 -4.39 105.19 102.64 3ggv n GLY 49 Ca 0.00 -2.31 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 3ggv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ggv h ILE 50 N 0.00 1.30 -2.04 -0.61 6.09 -2.02 -3.39 117.51 116.84 3ggv h ILE 50 Ca 0.00 -1.05 -0.56 0.00 -1.37 0.00 0.00 64.86 61.89 3ggv h ILE 50 Cb 0.00 2.00 -0.40 0.00 0.47 0.00 0.00 36.82 38.89 3ggv h ILE 50 CO 0.00 0.27 -1.02 0.61 -3.07 0.00 0.00 178.15 174.94 3ggv n GLY 51 N 0.13 3.38 0.00 8.18 0.00 -1.26 -5.10 105.19 110.52 3ggv n GLY 51 Ca -0.08 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.10 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 1.12 2.30 3.74 -0.02 0.00 -1.26 -5.11 105.19 105.96 3ggv n GLY 52 Ca 0.23 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.74 2.87 0.04 1.61 0.40 -1.26 -4.02 117.98 115.88 3ggv s PHE 53 Ca 0.00 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 3ggv s PHE 53 Cb 0.00 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 3ggv s PHE 53 CO 0.00 0.51 -0.06 0.96 0.70 0.00 0.00 175.22 177.34 3ggv s ILE 54 N -2.26 0.36 0.17 0.64 -4.36 -1.15 -5.02 121.20 109.57 3ggv s ILE 54 Ca 0.34 -1.12 -0.27 0.00 -0.26 0.00 0.00 60.65 59.34 3ggv s ILE 54 Cb -0.06 -0.60 -0.08 0.00 1.25 0.00 0.00 42.46 42.97 3ggv s ILE 54 CO 0.23 -0.50 0.86 -0.54 0.24 0.00 0.00 174.94 175.22 3ggv s LYS 55 N -1.83 4.67 0.04 0.37 3.01 -1.26 -2.15 119.74 122.60 3ggv s LYS 55 Ca -0.10 1.30 0.04 0.00 -1.01 0.00 0.00 55.97 56.20 3ggv s LYS 55 Cb -0.08 -3.30 -0.02 0.00 -1.01 0.00 0.00 37.83 33.42 3ggv s LYS 55 CO -0.01 0.46 -0.11 0.14 0.51 0.00 0.00 175.35 176.34 3ggv s VAL 56 N -0.84 0.83 0.01 3.17 -7.23 -0.02 -4.78 120.40 111.53 3ggv s VAL 56 Ca 0.39 -1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 3ggv s VAL 56 Cb -0.24 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 3ggv s VAL 56 CO 0.28 -0.18 1.29 -0.13 -0.31 0.00 0.00 175.10 176.05 3ggv s ARG 57 N -1.35 4.34 -0.29 4.82 0.52 0.22 -1.53 118.95 125.69 3ggv s ARG 57 Ca -0.04 1.84 -0.07 0.00 -0.52 0.00 0.00 55.73 56.95 3ggv s ARG 57 Cb -0.09 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3ggv s ARG 57 CO 0.01 -0.45 0.07 -1.14 0.02 0.00 0.00 175.30 173.81 3ggv s GLN 58 N 1.92 3.13 -0.08 3.54 0.74 0.73 0.18 119.66 129.82 3ggv s GLN 58 Ca 0.60 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 55.17 3ggv s GLN 58 Cb -0.29 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 3ggv s GLN 58 CO 0.26 -0.42 0.02 0.71 -0.55 0.00 0.00 175.29 175.31 3ggv s TYR 59 N 1.50 3.19 0.05 1.67 1.51 0.13 -1.15 117.35 124.25 3ggv s TYR 59 Ca 0.03 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 3ggv s TYR 59 Cb -0.17 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3ggv s TYR 59 CO 0.02 0.49 0.04 -0.51 -1.11 0.00 0.00 175.55 174.48 3ggv s ASP 60 N -1.01 5.30 0.00 2.29 1.01 -1.26 -0.71 116.67 122.30 3ggv s ASP 60 Ca 0.15 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.37 3ggv s ASP 60 Cb -0.11 -1.39 0.00 0.00 1.01 0.00 0.00 42.92 42.43 3ggv s ASP 60 CO 0.04 0.21 0.00 0.00 0.21 0.00 0.00 175.17 175.63 3ggv n GLN 61 N 0.82 0.00 -2.04 8.23 1.13 -1.11 -4.93 117.38 119.47 3ggv n GLN 61 Ca -0.11 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.55 3ggv n GLN 61 Cb 0.52 -2.71 -0.01 0.00 0.11 0.00 0.00 30.24 28.15 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 -2.21 2.59 -0.29 5.09 -1.09 -0.22 -4.43 121.20 120.64 3ggv s ILE 62 Ca 0.00 0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.86 3ggv s ILE 62 Cb 0.00 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 3ggv s ILE 62 CO 0.00 0.09 0.15 -0.22 -1.23 0.00 0.00 174.94 173.73 3ggv s LEU 63 N -2.37 3.95 -0.04 2.97 2.96 -1.26 -0.69 118.68 124.20 3ggv s LEU 63 Ca 0.56 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 3ggv s LEU 63 Cb -0.39 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 3ggv s LEU 63 CO 0.50 -0.11 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.59 3ggv s ILE 64 N 1.67 2.57 -0.56 6.68 1.01 0.50 -4.42 121.20 128.66 3ggv s ILE 64 Ca 0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.75 3ggv s ILE 64 Cb -0.16 -1.96 0.15 0.00 0.01 0.00 0.00 42.46 40.50 3ggv s ILE 64 CO 0.08 0.59 0.40 -0.70 0.00 0.00 0.00 174.94 175.30 3ggv s GLU 65 N -0.66 2.53 -0.45 2.79 2.12 -0.47 0.30 118.70 124.86 3ggv s GLU 65 Ca 0.10 -2.18 -0.24 0.00 0.36 0.00 0.00 54.97 53.01 3ggv s GLU 65 Cb -0.10 -3.82 0.03 0.00 0.26 0.00 0.00 34.13 30.49 3ggv s GLU 65 CO -0.00 -1.17 0.82 0.42 -0.54 0.00 0.00 175.26 174.79 3ggv s ILE 66 N 0.57 4.61 -1.35 -3.70 1.01 -0.26 -1.21 121.20 120.87 3ggv s ILE 66 Ca 0.12 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3ggv s ILE 66 Cb -0.21 -4.34 0.00 0.00 0.01 0.00 0.00 42.46 37.91 3ggv s ILE 66 CO -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 174.94 174.17 3ggv n GLY 68 N -1.07 3.11 3.79 0.00 0.00 -1.26 -4.99 105.19 104.78 3ggv n GLY 68 Ca -0.16 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.36 3.38 0.12 1.61 4.02 -0.89 -5.04 115.29 118.14 3ggv s HIS 69 Ca 0.00 1.67 -0.09 0.00 1.02 0.00 0.00 55.06 57.66 3ggv s HIS 69 Cb 0.00 -2.97 -0.06 0.00 -1.02 0.00 0.00 32.58 28.53 3ggv s HIS 69 CO 0.00 -0.24 0.43 0.15 1.02 0.00 0.00 174.74 176.09 3ggv s LYS 70 N -2.66 3.74 -0.06 1.40 1.02 -1.26 -1.10 119.74 120.82 3ggv s LYS 70 Ca 0.58 0.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.55 3ggv s LYS 70 Cb -0.16 -2.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3ggv s LYS 70 CO 0.21 0.49 0.35 0.00 -0.92 0.00 0.00 175.35 175.48 3ggv s ALA 71 N -1.54 -0.88 -0.03 5.17 0.00 0.15 -4.79 121.76 119.84 3ggv s ALA 71 Ca 0.38 0.63 0.04 0.00 0.00 0.00 0.00 51.96 53.01 3ggv s ALA 71 Cb -0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3ggv s ALA 71 CO 0.20 -0.24 -0.16 0.42 0.00 0.00 0.00 175.76 175.99 3ggv s ILE 72 N -0.78 1.30 -0.27 0.00 1.01 -1.26 -0.37 121.20 120.83 3ggv s ILE 72 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3ggv s ILE 72 Cb -0.04 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3ggv s ILE 72 CO 0.03 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3ggv n GLY 73 N 2.97 -1.23 3.68 6.18 0.00 0.13 -4.94 105.19 111.98 3ggv n GLY 73 Ca -0.17 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.69 3.82 -0.07 2.61 2.01 -1.26 -1.06 115.64 119.00 3ggv s THR 74 Ca 0.00 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.14 3ggv s THR 74 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 3ggv s THR 74 CO 0.00 -0.04 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.08 3ggv s VAL 75 N 2.92 3.21 0.12 3.82 1.01 0.11 -4.53 120.40 127.07 3ggv s VAL 75 Ca 0.64 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.99 3ggv s VAL 75 Cb -0.30 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3ggv s VAL 75 CO 0.25 0.57 0.23 -0.76 0.00 0.00 0.00 175.10 175.39 3ggv s LEU 76 N -0.48 4.23 -0.00 3.92 1.43 -0.24 -0.70 118.68 126.84 3ggv s LEU 76 Ca 0.06 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3ggv s LEU 76 Cb -0.12 -2.82 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 3ggv s LEU 76 CO 0.02 0.10 -0.02 -0.69 0.23 0.00 0.00 176.35 175.98 3ggv s VAL 77 N -1.65 0.18 -0.53 -1.59 1.01 0.13 -0.97 120.40 116.97 3ggv s VAL 77 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3ggv s VAL 77 Cb -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3ggv s VAL 77 CO 0.27 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3ggv n GLY 78 N 3.05 -0.78 3.29 4.51 0.00 -0.84 0.72 105.19 115.15 3ggv n GLY 78 Ca -0.13 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 3.31 -4.30 1.61 -0.04 -1.26 -2.95 135.00 131.37 3ggv n PRO 79 Ca 0.00 -3.48 -0.33 0.00 -0.04 0.00 0.00 63.50 59.65 3ggv n PRO 79 Cb 0.00 -3.18 -0.09 0.00 -0.04 0.00 0.00 33.50 30.19 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 2.29 4.25 0.49 0.52 -1.32 -1.26 -5.01 115.64 115.60 3ggv s THR 80 Ca 0.46 -0.47 0.18 0.00 -1.21 0.00 0.00 61.69 60.65 3ggv s THR 80 Cb 0.04 -2.86 0.25 0.00 -1.51 0.00 0.00 72.50 68.41 3ggv s THR 80 CO 0.01 0.45 2.09 1.55 -2.21 0.00 0.00 174.62 176.51 3ggv h PRO 81 N 4.58 0.00 -3.93 7.08 0.13 -1.99 -3.44 132.00 134.44 3ggv h PRO 81 Ca -0.50 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 3ggv h PRO 81 Cb 1.18 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.12 3ggv h PRO 81 CO 0.57 0.09 -0.62 0.14 -0.23 0.00 0.00 178.00 177.94 3ggv s VAL 82 N -4.76 0.14 0.15 1.56 -7.23 -1.26 -5.07 120.40 103.93 3ggv s VAL 82 Ca -0.04 -1.12 -0.31 0.00 -1.81 0.00 0.00 61.98 58.70 3ggv s VAL 82 Cb 0.16 -0.71 -0.08 0.00 0.56 0.00 0.00 36.38 36.31 3ggv s VAL 82 CO 0.66 -0.61 1.35 0.20 -0.31 0.00 0.00 175.10 176.38 3ggv s ASN 83 N -1.93 6.86 -0.10 4.85 0.01 -1.26 -4.63 114.94 118.74 3ggv s ASN 83 Ca -0.08 2.35 0.03 0.00 -0.71 0.00 0.00 52.86 54.46 3ggv s ASN 83 Cb -0.04 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.02 3ggv s ASN 83 CO -0.04 -0.59 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.12 3ggv s ILE 84 N 0.63 2.25 -0.45 0.60 1.01 0.55 -0.68 121.20 125.11 3ggv s ILE 84 Ca 0.61 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 3ggv s ILE 84 Cb -0.36 -1.87 0.11 0.00 0.01 0.00 0.00 42.46 40.34 3ggv s ILE 84 CO 0.34 0.55 0.30 -0.63 0.00 0.00 0.00 174.94 175.50 3ggv s ILE 85 N 0.30 4.05 0.45 2.92 -1.09 -0.64 -2.02 121.20 125.17 3ggv s ILE 85 Ca -0.16 -1.73 -0.08 0.00 -2.23 0.00 0.00 60.65 56.44 3ggv s ILE 85 Cb -0.17 -3.63 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 3ggv s ILE 85 CO 0.08 -0.69 0.58 0.61 -1.23 0.00 0.00 174.94 174.29 3ggv n GLY 86 N 4.86 -1.45 0.21 6.18 0.00 -1.22 -2.42 105.19 111.34 3ggv n GLY 86 Ca -0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 0.29 -1.01 1.61 3.08 -1.12 -2.06 114.38 115.17 3ggv h ARG 87 Ca -0.19 -0.13 0.27 0.00 0.07 0.00 0.00 59.98 60.00 3ggv h ARG 87 Cb 0.53 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 3ggv h ARG 87 CO 0.13 0.63 0.69 -2.95 -1.07 0.00 0.00 179.97 177.41 3ggv h ASN 88 N 0.25 0.24 0.00 7.04 -1.07 -1.83 0.16 115.58 120.37 3ggv h ASN 88 Ca 0.03 0.04 -0.37 0.00 0.07 0.00 0.00 56.30 56.07 3ggv h ASN 88 Cb 0.78 -0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.97 3ggv h ASN 88 CO 0.06 0.06 -2.38 0.18 0.07 0.00 0.00 177.43 175.42 3ggv n LEU 89 N -4.42 1.42 -0.37 6.14 4.77 -1.04 -4.26 117.00 119.24 3ggv n LEU 89 Ca 0.23 -0.06 0.03 0.00 -0.03 0.00 0.00 56.01 56.18 3ggv n LEU 89 Cb 0.95 -0.17 0.19 0.00 -2.33 0.00 0.00 43.42 42.06 3ggv n LEU 89 CO 0.33 0.69 1.26 -0.07 -1.33 0.00 0.00 177.39 178.27 3ggv h LEU 90 N 0.00 1.03 -1.68 2.23 3.38 -0.57 -0.39 115.31 119.31 3ggv h LEU 90 Ca -0.54 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 3ggv h LEU 90 Cb 2.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 3ggv h LEU 90 CO -0.03 0.64 0.08 0.71 0.09 0.00 0.00 178.44 179.93 3ggv h THR 91 N 1.15 1.09 0.00 0.22 1.35 -0.92 -2.75 112.91 113.05 3ggv h THR 91 Ca 0.45 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 3ggv h THR 91 Cb 0.22 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3ggv h THR 91 CO -0.19 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.19 3ggv n GLN 92 N -4.45 0.54 -0.35 4.72 1.13 -0.16 -2.89 117.38 115.92 3ggv n GLN 92 Ca 0.00 0.02 0.03 0.00 -1.94 0.00 0.00 57.00 55.11 3ggv n GLN 92 Cb 0.12 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.01 3ggv n GLN 92 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3ggv n ILE 93 N -1.05 0.54 -2.98 5.09 -5.35 -1.06 -4.84 119.36 109.72 3ggv n ILE 93 Ca 0.13 -0.65 -0.22 0.00 -0.27 0.00 0.00 62.75 61.74 3ggv n ILE 93 Cb 0.08 0.31 0.03 0.00 -1.74 0.00 0.00 39.64 38.32 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 -0.41 -0.52 3.53 3.28 0.00 -1.14 -4.93 105.19 105.00 3ggv n GLY 94 Ca 0.04 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 3.65 2.27 -0.16 0.00 -1.32 -1.26 -4.68 115.64 114.14 3ggv s THR 96 Ca 0.30 -1.79 0.01 0.00 -1.21 0.00 0.00 61.69 59.01 3ggv s THR 96 Cb -0.12 -2.98 0.02 0.00 -1.51 0.00 0.00 72.50 67.91 3ggv s THR 96 CO 0.21 -0.02 -0.16 -0.22 -2.21 0.00 0.00 174.62 172.23 3ggv s LEU 97 N -3.85 1.90 0.00 9.08 2.96 -1.26 -5.10 118.68 122.41 3ggv s LEU 97 Ca 0.39 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3ggv s LEU 97 Cb 0.05 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 3ggv s LEU 97 CO 0.21 -0.05 -0.18 0.20 -1.32 0.00 0.00 176.35 175.22 3ggv s ASN 98 N 1.41 2.11 0.00 3.68 -0.87 -1.26 -5.30 114.94 114.71 3ggv s ASN 98 Ca 0.04 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.97 3ggv s ASN 98 Cb -0.13 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 3ggv s ASN 98 CO -0.11 0.19 0.00 2.22 -2.57 0.00 0.00 177.10 176.83