#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gji n ALA 2 N 0.00 4.56 -0.92 3.04 0.00 -1.26 -5.08 120.51 120.85 2gji n ALA 2 Ca 0.00 -4.68 -0.34 0.00 0.00 0.00 0.00 53.44 48.43 2gji n ALA 2 Cb 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 19.45 18.81 2gji n ALA 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2gji n THR 3 N -0.15 0.48 -3.64 0.00 -2.24 -1.26 -3.57 114.28 103.89 2gji n THR 3 Ca 0.31 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 2gji n THR 3 Cb 0.40 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 67.85 2gji n THR 3 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2gji s PHE 4 N -2.27 -0.43 -0.03 4.78 2.19 -1.12 -4.84 117.98 116.26 2gji s PHE 4 Ca 0.59 0.92 0.06 0.00 0.33 0.00 0.00 56.93 58.83 2gji s PHE 4 Cb -0.24 -0.05 -0.01 0.00 -1.31 0.00 0.00 43.02 41.40 2gji s PHE 4 CO 0.65 -0.39 -0.20 -1.14 1.83 0.00 0.00 175.22 175.97 2gji s GLN 5 N 2.42 1.87 -0.13 10.12 -0.44 -1.26 -0.07 119.66 132.16 2gji s GLN 5 Ca 0.02 -0.72 -0.05 0.00 -2.50 0.00 0.00 55.36 52.10 2gji s GLN 5 Cb -0.12 -1.69 0.06 0.00 -1.64 0.00 0.00 33.01 29.62 2gji s GLN 5 CO -0.09 0.36 0.27 -0.08 0.50 0.00 0.00 175.29 176.26 2gji s THR 6 N -0.25 -0.33 -0.48 -0.34 -1.32 -0.73 -5.00 115.64 107.18 2gji s THR 6 Ca 0.02 0.24 -0.02 0.00 -1.21 0.00 0.00 61.69 60.72 2gji s THR 6 Cb -0.10 -0.45 0.23 0.00 -1.51 0.00 0.00 72.50 70.68 2gji s THR 6 CO 0.01 0.10 2.23 -0.90 -2.21 0.00 0.00 174.62 173.86 2gji n ASP 7 N 5.07 6.84 -3.60 8.08 5.68 -1.26 -1.79 116.55 135.57 2gji n ASP 7 Ca -0.11 -3.33 0.01 0.00 -0.50 0.00 0.00 54.79 50.86 2gji n ASP 7 Cb 0.51 -1.09 -0.01 0.00 -1.14 0.00 0.00 41.12 39.39 2gji n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2gji s ALA 8 N -2.43 -2.30 0.89 2.12 0.00 -1.26 -4.96 121.76 113.82 2gji s ALA 8 Ca 0.48 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 2gji s ALA 8 Cb 0.36 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2gji s ALA 8 CO -0.11 -0.96 0.40 -0.40 0.00 0.00 0.00 175.76 174.69 2gji n ASP 9 N -0.41 -1.97 -3.79 0.00 5.68 -1.26 -4.73 116.55 110.08 2gji n ASP 9 Ca -0.07 0.40 -0.10 0.00 -0.50 0.00 0.00 54.79 54.53 2gji n ASP 9 Cb 0.62 -1.19 -0.05 0.00 -1.14 0.00 0.00 41.12 39.36 2gji n ASP 9 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 2gji s PHE 10 N -2.24 0.01 0.19 2.11 -0.12 -0.81 -3.75 117.98 113.37 2gji s PHE 10 Ca 0.59 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 57.16 2gji s PHE 10 Cb -0.25 0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 2gji s PHE 10 CO 0.65 -0.85 0.25 -0.51 -0.05 0.00 0.00 175.22 174.71 2gji s LEU 11 N -2.89 4.11 -0.04 -1.99 1.43 0.81 -0.43 118.68 119.67 2gji s LEU 11 Ca 0.11 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 2gji s LEU 11 Cb 0.00 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.57 2gji s LEU 11 CO -0.03 0.01 -0.06 -0.22 0.23 0.00 0.00 176.35 176.29 2gji s LEU 12 N -3.46 1.49 -0.14 1.79 2.96 0.89 -2.15 118.68 120.06 2gji s LEU 12 Ca 0.33 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 2gji s LEU 12 Cb -0.10 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.11 2gji s LEU 12 CO 0.27 -0.02 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.38 2gji s VAL 13 N 0.69 1.99 0.00 1.68 1.01 -0.88 -1.96 120.40 122.93 2gji s VAL 13 Ca -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2gji s VAL 13 Cb -0.13 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2gji s VAL 13 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2gji n GLY 14 N 4.08 3.21 1.70 4.51 0.00 -1.23 -1.12 105.19 116.35 2gji n GLY 14 Ca -0.20 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.81 2gji n GLY 14 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gji n ASP 15 N 0.00 5.10 -3.66 1.61 2.03 -1.26 -4.86 116.55 115.50 2gji n ASP 15 Ca 0.00 -2.68 -0.28 0.00 0.52 0.00 0.00 54.79 52.36 2gji n ASP 15 Cb 0.00 -0.63 0.04 0.00 -0.72 0.00 0.00 41.12 39.81 2gji n ASP 15 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2gji n ASP 16 N 0.82 -4.40 -4.76 1.67 2.03 -1.26 -4.92 116.55 105.73 2gji n ASP 16 Ca 0.26 -0.96 -0.40 0.00 0.52 0.00 0.00 54.79 54.21 2gji n ASP 16 Cb 1.02 -3.64 -0.04 0.00 -0.72 0.00 0.00 41.12 37.74 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2gji s THR 17 N -3.54 3.54 -0.12 5.18 -4.23 -1.26 -4.92 115.64 110.30 2gji s THR 17 Ca 0.36 1.52 0.29 0.00 -1.18 0.00 0.00 61.69 62.69 2gji s THR 17 Cb -0.12 -3.96 0.31 0.00 1.34 0.00 0.00 72.50 70.08 2gji s THR 17 CO 0.84 0.34 1.87 0.28 -0.54 0.00 0.00 174.62 177.41 2gji h SER 18 N 3.73 0.00 -0.08 3.99 0.02 -1.99 -1.51 113.55 117.70 2gji h SER 18 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2gji h SER 18 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2gji h SER 18 CO 0.67 0.00 0.00 -1.14 -1.14 0.00 0.00 176.83 175.22 2gji n ARG 19 N -2.60 1.37 -0.12 3.45 0.63 -1.26 -3.97 116.66 114.16 2gji n ARG 19 Ca 0.00 -0.56 0.09 0.00 -0.92 0.00 0.00 57.85 56.46 2gji n ARG 19 Cb 0.20 -1.34 0.43 0.00 0.45 0.00 0.00 32.46 32.20 2gji n ARG 19 CO 0.00 0.00 0.00 0.10 -2.51 0.00 0.00 177.63 175.22 2gji h TYR 20 N 1.14 0.59 -0.13 -0.14 -0.00 -1.66 0.24 116.97 117.01 2gji h TYR 20 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 58.73 58.67 2gji h TYR 20 Cb 0.25 -0.19 -0.00 0.00 -0.00 0.00 0.00 36.73 36.79 2gji h TYR 20 CO 0.05 0.30 -0.20 1.05 -0.00 0.00 0.00 178.16 179.37 2gji h GLU 21 N 0.58 0.37 -0.14 0.10 4.11 -1.83 -2.11 114.58 115.66 2gji h GLU 21 Ca 0.28 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 2gji h GLU 21 Cb 0.35 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2gji h GLU 21 CO -0.09 0.80 -0.01 1.49 0.07 0.00 0.00 179.01 181.28 2gji h GLU 22 N -0.03 0.26 -0.74 1.06 4.57 -1.65 0.18 114.58 118.22 2gji h GLU 22 Ca 0.01 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2gji h GLU 22 Cb 0.76 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 2gji h GLU 22 CO 0.05 0.50 0.44 0.28 -1.18 0.00 0.00 179.01 179.09 2gji h VAL 23 N -0.02 1.02 -0.13 0.32 2.07 -0.61 -2.31 116.25 116.59 2gji h VAL 23 Ca 0.04 -0.28 -0.21 0.00 0.82 0.00 0.00 66.70 67.07 2gji h VAL 23 Cb 0.39 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2gji h VAL 23 CO 0.01 0.15 -0.76 0.24 0.02 0.00 0.00 177.57 177.23 2gji h MET 24 N 0.82 0.65 -0.48 1.57 2.86 -1.31 -3.09 114.93 115.96 2gji h MET 24 Ca 0.32 -0.53 0.14 0.00 -2.06 0.00 0.00 59.70 57.56 2gji h MET 24 Cb 0.14 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2gji h MET 24 CO -0.16 1.15 0.41 0.87 1.06 0.00 0.00 176.91 180.25 2gji h LYS 25 N 0.45 0.00 -0.18 1.72 6.56 -0.09 0.88 116.57 125.91 2gji h LYS 25 Ca -0.04 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.60 2gji h LYS 25 Cb 1.37 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.02 2gji h LYS 25 CO 0.15 0.00 0.28 1.79 -2.06 0.00 0.00 179.45 179.60 2gji h THR 26 N 0.00 0.30 -3.63 -0.16 1.35 -1.39 -3.37 112.91 106.01 2gji h THR 26 Ca 0.23 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.39 2gji h THR 26 Cb 1.05 0.76 -0.21 0.00 -1.73 0.00 0.00 68.15 68.03 2gji h THR 26 CO -0.00 0.00 -0.49 -0.36 -0.25 0.00 0.00 175.52 174.42 2gji s PHE 27 N -4.47 3.22 0.57 4.73 0.40 0.30 -4.95 117.98 117.79 2gji s PHE 27 Ca -0.04 -0.51 0.28 0.00 -0.60 0.00 0.00 56.93 56.06 2gji s PHE 27 Cb 0.14 -2.47 1.48 0.00 0.51 0.00 0.00 43.02 42.68 2gji s PHE 27 CO 0.47 -0.49 1.96 -0.44 0.70 0.00 0.00 175.22 177.42 2gji h ASP 28 N 8.49 0.00 -0.12 1.36 3.32 -1.84 0.13 116.42 127.75 2gji h ASP 28 Ca -0.29 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.79 2gji h ASP 28 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 2gji h ASP 28 CO 0.66 0.00 0.09 0.71 -1.72 0.00 0.00 179.24 178.98 2gji h THR 29 N 0.00 0.86 -2.79 0.35 1.35 -1.91 -3.40 112.91 107.36 2gji h THR 29 Ca 0.23 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.52 2gji h THR 29 Cb 1.08 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 68.39 2gji h THR 29 CO -0.00 0.00 1.22 -0.69 -0.25 0.00 0.00 175.52 175.80 2gji s VAL 30 N -4.98 3.59 -0.08 6.82 1.01 0.46 -0.28 120.40 126.95 2gji s VAL 30 Ca -0.05 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 2gji s VAL 30 Cb 0.17 -3.84 -0.28 0.00 0.00 0.00 0.00 36.38 32.43 2gji s VAL 30 CO 0.66 -0.57 0.55 -0.08 0.00 0.00 0.00 175.10 175.66 2gji h GLU 31 N 12.38 0.29 -2.67 2.72 4.57 -0.96 -3.46 114.58 127.46 2gji h GLU 31 Ca -0.31 -0.50 0.08 0.00 -1.18 0.00 0.00 59.36 57.46 2gji h GLU 31 Cb 1.15 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.82 2gji h GLU 31 CO 1.06 1.19 0.35 0.00 -1.18 0.00 0.00 179.01 180.43 2gji s ALA 32 N -2.57 -1.57 0.07 2.92 0.00 -0.82 -5.00 121.76 114.79 2gji s ALA 32 Ca -0.17 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2gji s ALA 32 Cb 0.06 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2gji s ALA 32 CO 0.81 -0.89 -0.12 0.08 0.00 0.00 0.00 175.76 175.64 2gji s VAL 33 N -3.53 0.97 -0.08 0.00 1.01 -1.26 -0.08 120.40 117.43 2gji s VAL 33 Ca 0.07 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.65 2gji s VAL 33 Cb -0.02 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.34 2gji s VAL 33 CO -0.03 -0.33 0.20 -0.13 0.00 0.00 0.00 175.10 174.81 2gji s ARG 34 N -1.95 0.20 0.69 2.72 1.81 -0.48 -4.98 118.95 116.95 2gji s ARG 34 Ca -0.02 0.36 -0.08 0.00 -1.72 0.00 0.00 55.73 54.28 2gji s ARG 34 Cb -0.08 -0.01 0.05 0.00 -0.45 0.00 0.00 34.95 34.46 2gji s ARG 34 CO 0.01 -0.09 1.02 -1.59 -0.68 0.00 0.00 175.30 173.97 2gji s LYS 35 N 0.63 2.38 -0.33 3.54 0.00 -1.26 -0.29 119.74 124.40 2gji s LYS 35 Ca -0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 55.97 55.76 2gji s LYS 35 Cb -0.06 -2.15 0.03 0.00 0.00 0.00 0.00 37.83 35.65 2gji s LYS 35 CO -0.03 -1.15 0.11 0.45 0.00 0.00 0.00 175.35 174.72 2gji s SER 36 N -4.47 5.31 0.46 0.03 0.15 -0.68 -4.81 113.70 109.70 2gji s SER 36 Ca 0.59 -0.99 0.12 0.00 0.70 0.00 0.00 55.95 56.37 2gji s SER 36 Cb -0.11 -1.89 1.07 0.00 -1.71 0.00 0.00 66.02 63.38 2gji s SER 36 CO 0.46 -0.29 2.09 -0.78 1.20 0.00 0.00 173.24 175.92 2gji h ASP 37 N 8.25 0.24 0.02 5.45 3.58 -1.97 -2.01 116.42 129.98 2gji h ASP 37 Ca -0.26 -0.01 -0.23 0.00 0.42 0.00 0.00 57.03 56.95 2gji h ASP 37 Cb 1.10 -0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.10 2gji h ASP 37 CO 0.61 0.17 -0.88 -0.07 -2.88 0.00 0.00 179.24 176.19 2gji h LEU 38 N 0.28 0.82 -7.51 2.28 3.38 -1.97 -3.43 115.31 109.17 2gji h LEU 38 Ca 0.10 -0.59 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 2gji h LEU 38 Cb 0.04 -0.25 -0.38 0.00 0.09 0.00 0.00 40.66 40.16 2gji h LEU 38 CO -0.02 1.38 -0.78 -1.81 0.09 0.00 0.00 178.44 177.30 2gji s ASP 39 N -7.15 2.54 0.55 -0.43 1.01 -0.76 -4.99 116.67 107.44 2gji s ASP 39 Ca -0.09 -0.55 0.33 0.00 0.71 0.00 0.00 52.55 52.95 2gji s ASP 39 Cb 0.08 -0.73 1.46 0.00 1.01 0.00 0.00 42.92 44.74 2gji s ASP 39 CO 0.90 -0.21 2.03 -0.78 0.21 0.00 0.00 175.17 177.31 2gji h ASP 40 N 8.20 0.00 -0.64 0.27 3.58 -1.83 -2.41 116.42 123.59 2gji h ASP 40 Ca -0.22 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.00 2gji h ASP 40 Cb 1.12 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.03 2gji h ASP 40 CO 0.36 0.05 0.29 0.54 -2.88 0.00 0.00 179.24 177.59 2gji n ARG 41 N -3.20 2.87 -4.03 0.28 1.74 -1.26 -4.70 116.66 108.36 2gji n ARG 41 Ca -0.00 -2.39 -0.17 0.00 -0.77 0.00 0.00 57.85 54.51 2gji n ARG 41 Cb 0.28 -2.00 -0.16 0.00 -1.02 0.00 0.00 32.46 29.57 2gji n ARG 41 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gji s VAL 42 N -2.48 0.30 0.02 1.55 1.01 -0.91 -3.52 120.40 116.38 2gji s VAL 42 Ca 0.44 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.41 2gji s VAL 42 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 36.37 2gji s VAL 42 CO 0.10 0.15 -0.07 -0.31 0.00 0.00 0.00 175.10 174.98 2gji s TYR 43 N 0.74 0.58 -0.21 5.22 1.51 -0.83 -1.68 117.35 122.69 2gji s TYR 43 Ca -0.08 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 2gji s TYR 43 Cb -0.11 -0.36 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 2gji s TYR 43 CO -0.01 -0.05 -0.11 0.00 -1.11 0.00 0.00 175.55 174.28 2gji s MET 44 N -0.92 3.10 -0.18 -0.62 0.23 0.60 -0.07 119.30 121.43 2gji s MET 44 Ca -0.05 -0.79 -0.15 0.00 -1.03 0.00 0.00 55.69 53.68 2gji s MET 44 Cb -0.06 -2.84 -0.04 0.00 -1.53 0.00 0.00 34.83 30.36 2gji s MET 44 CO 0.00 -0.25 0.33 0.08 -2.03 0.00 0.00 175.02 173.16 2gji s VAL 45 N 1.37 5.26 -0.44 5.16 1.01 0.43 -1.39 120.40 131.81 2gji s VAL 45 Ca 0.04 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 2gji s VAL 45 Cb -0.14 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2gji s VAL 45 CO -0.07 0.33 0.41 0.00 0.00 0.00 0.00 175.10 175.77 2gji s LEU 47 N 1.98 4.41 0.91 0.00 1.43 -1.26 -0.42 118.68 125.72 2gji s LEU 47 Ca 0.09 1.98 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 2gji s LEU 47 Cb -0.19 -3.89 0.04 0.00 0.03 0.00 0.00 46.19 42.18 2gji s LEU 47 CO 0.11 -0.11 0.54 0.29 0.23 0.00 0.00 176.35 177.41 2gji n LYS 48 N 0.75 -0.20 -2.24 1.70 5.02 0.61 -4.73 118.16 119.06 2gji n LYS 48 Ca 0.01 -0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2gji n LYS 48 Cb 0.48 -1.94 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 2gji n LYS 48 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2gji s GLN 49 N -3.65 3.07 0.00 1.97 -0.21 -1.26 -2.92 119.66 116.66 2gji s GLN 49 Ca 0.60 0.56 0.00 0.00 0.02 0.00 0.00 55.36 56.54 2gji s GLN 49 Cb -0.24 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.55 2gji s GLN 49 CO 0.64 -2.21 0.00 0.41 -2.12 0.00 0.00 175.29 172.01 2gji n GLY 50 N 5.44 2.05 3.64 3.09 0.00 -1.26 -5.09 105.19 113.05 2gji n GLY 50 Ca 0.15 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2gji n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gji s SER 51 N -0.20 2.60 -0.07 1.61 0.01 -1.15 -5.05 113.70 111.45 2gji s SER 51 Ca 0.00 1.72 -0.03 0.00 1.31 0.00 0.00 55.95 58.95 2gji s SER 51 Cb 0.00 -2.34 0.04 0.00 0.21 0.00 0.00 66.02 63.92 2gji s SER 51 CO 0.00 -3.23 0.08 -0.89 0.41 0.00 0.00 173.24 169.61 2gji s THR 52 N -2.71 -0.12 -0.78 1.44 2.01 -1.26 -4.61 115.64 109.61 2gji s THR 52 Ca 0.66 0.33 -0.26 0.00 0.31 0.00 0.00 61.69 62.72 2gji s THR 52 Cb -0.21 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.10 2gji s THR 52 CO 0.59 0.10 1.28 0.12 -0.69 0.00 0.00 174.62 176.03 2gji s PHE 53 N 2.18 2.35 -0.03 4.92 2.19 -0.74 -4.91 117.98 123.94 2gji s PHE 53 Ca 0.04 -0.21 -0.01 0.00 0.33 0.00 0.00 56.93 57.09 2gji s PHE 53 Cb -0.13 -4.61 -0.04 0.00 -1.31 0.00 0.00 43.02 36.94 2gji s PHE 53 CO -0.04 -2.02 0.04 0.08 1.83 0.00 0.00 175.22 175.10 2gji s VAL 54 N 5.48 4.47 -0.32 3.12 1.01 -1.26 -1.78 120.40 131.12 2gji s VAL 54 Ca 0.36 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2gji s VAL 54 Cb -0.07 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.41 2gji s VAL 54 CO 0.11 0.44 0.02 -0.76 0.00 0.00 0.00 175.10 174.91 2gji s LEU 55 N -1.40 4.32 0.28 3.92 1.43 0.89 -4.97 118.68 123.15 2gji s LEU 55 Ca 0.19 -1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 51.48 2gji s LEU 55 Cb -0.12 -1.64 0.40 0.00 0.03 0.00 0.00 46.19 44.87 2gji s LEU 55 CO 0.09 -0.33 1.83 0.78 0.23 0.00 0.00 176.35 178.95 2gji h ASN 56 N 7.77 0.77 0.58 2.29 4.21 -1.98 -2.89 115.58 126.33 2gji h ASN 56 Ca -0.12 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.26 2gji h ASN 56 Cb 1.04 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 2gji h ASN 56 CO 0.53 0.75 -1.40 0.61 -1.29 0.00 0.00 177.43 176.63 2gji n GLY 57 N -0.88 -1.27 1.50 2.83 0.00 -1.26 -4.68 105.19 101.42 2gji n GLY 57 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2gji n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gji n GLY 58 N 1.22 -0.93 0.18 -0.02 0.00 -1.11 -4.21 105.19 100.32 2gji n GLY 58 Ca -0.02 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.31 2gji n GLY 58 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gji h ILE 59 N 0.00 0.52 -0.43 -0.61 1.08 -1.89 -3.24 117.51 112.94 2gji h ILE 59 Ca 0.00 -1.61 -0.00 0.00 -0.39 0.00 0.00 64.86 62.85 2gji h ILE 59 Cb 0.00 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.89 2gji h ILE 59 CO 0.00 0.28 0.25 -0.33 -0.69 0.00 0.00 178.15 177.67 2gji h GLU 60 N 0.00 0.59 -0.16 2.37 5.08 -1.88 0.66 114.58 121.25 2gji h GLU 60 Ca -0.00 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2gji h GLU 60 Cb 1.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2gji h GLU 60 CO 0.04 0.45 -0.39 1.05 -1.00 0.00 0.00 179.01 179.16 2gji h GLU 61 N 0.57 0.35 -0.18 2.33 4.11 -1.75 -2.84 114.58 117.18 2gji h GLU 61 Ca 0.15 -0.17 -0.16 0.00 0.07 0.00 0.00 59.36 59.26 2gji h GLU 61 Cb 0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2gji h GLU 61 CO -0.03 0.69 -0.55 1.25 0.07 0.00 0.00 179.01 180.45 2gji h LEU 62 N 0.30 0.58 -0.30 3.06 5.85 -1.48 -2.62 115.31 120.69 2gji h LEU 62 Ca 0.03 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2gji h LEU 62 Cb 0.82 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2gji h LEU 62 CO 0.07 1.01 0.11 0.03 -0.34 0.00 0.00 178.44 179.32 2gji h ARG 63 N 0.40 0.46 -0.34 1.25 3.08 -0.71 -2.77 114.38 115.74 2gji h ARG 63 Ca 0.01 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2gji h ARG 63 Cb 1.08 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 2gji h ARG 63 CO 0.10 0.48 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.39 2gji h LEU 64 N 0.34 0.51 0.00 3.04 3.38 -1.50 0.24 115.31 121.32 2gji h LEU 64 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2gji h LEU 64 Cb 0.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2gji h LEU 64 CO -0.01 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.30 2gji n LEU 65 N -4.26 0.00 0.22 1.67 4.77 -0.99 -2.86 117.00 115.55 2gji n LEU 65 Ca 0.01 0.80 0.09 0.00 -0.03 0.00 0.00 56.01 56.88 2gji n LEU 65 Cb 0.26 -0.30 0.53 0.00 -2.33 0.00 0.00 43.42 41.58 2gji n LEU 65 CO 0.39 -0.30 0.84 0.00 -1.33 0.00 0.00 177.39 176.99 2gji h THR 66 N 0.00 0.79 0.00 -5.08 1.03 -1.61 -3.47 112.91 104.57 2gji h THR 66 Ca 0.00 -0.97 0.00 0.00 -0.01 0.00 0.00 66.41 65.43 2gji h THR 66 Cb 0.00 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 2gji h THR 66 CO 0.00 0.23 0.00 0.61 -0.01 0.00 0.00 175.52 176.35 2gji n GLY 67 N -0.34 1.25 3.56 2.99 0.00 0.78 -5.01 105.19 108.42 2gji n GLY 67 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2gji n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gji s ASP 68 N -1.73 6.27 0.56 1.61 1.01 -0.90 -4.84 116.67 118.65 2gji s ASP 68 Ca 0.00 -0.19 0.35 0.00 0.71 0.00 0.00 52.55 53.42 2gji s ASP 68 Cb 0.00 -2.56 1.55 0.00 1.01 0.00 0.00 42.92 42.92 2gji s ASP 68 CO 0.00 -1.69 2.04 -1.28 0.21 0.00 0.00 175.17 174.45 2gji h SER 69 N 9.91 0.00 -0.58 0.27 0.87 -1.97 -2.37 113.55 119.69 2gji h SER 69 Ca -0.27 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.11 2gji h SER 69 Cb 1.06 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 62.91 2gji h SER 69 CO 1.24 0.00 0.23 0.35 -0.53 0.00 0.00 176.83 178.12 2gji n THR 70 N -3.05 2.34 -2.64 2.23 -2.24 -1.26 -4.92 114.28 104.74 2gji n THR 70 Ca -0.00 -1.22 -0.43 0.00 -2.27 0.00 0.00 64.05 60.13 2gji n THR 70 Cb 0.26 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 2gji n THR 70 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2gji s LEU 71 N -2.24 4.02 0.19 3.22 0.20 -0.89 -4.05 118.68 119.12 2gji s LEU 71 Ca 0.42 1.23 0.11 0.00 0.69 0.00 0.00 54.13 56.58 2gji s LEU 71 Cb 0.33 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 2gji s LEU 71 CO 0.10 -0.77 -0.23 -1.61 -0.29 0.00 0.00 176.35 173.54 2gji s GLU 72 N 3.42 1.49 -0.08 1.98 2.02 -0.27 -4.84 118.70 122.41 2gji s GLU 72 Ca 0.45 -1.51 0.02 0.00 0.02 0.00 0.00 54.97 53.95 2gji s GLU 72 Cb -0.14 -1.79 0.01 0.00 0.10 0.00 0.00 34.13 32.32 2gji s GLU 72 CO 0.11 0.39 -0.13 0.42 0.02 0.00 0.00 175.26 176.06 2gji s ILE 73 N -1.70 1.28 0.05 -1.63 1.01 -1.26 -2.07 121.20 116.88 2gji s ILE 73 Ca 0.20 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2gji s ILE 73 Cb -0.08 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2gji s ILE 73 CO 0.09 0.39 -0.04 0.00 0.00 0.00 0.00 174.94 175.39 2gji s GLN 74 N 0.81 0.61 -0.04 2.79 -2.07 -0.91 -4.99 119.66 115.84 2gji s GLN 74 Ca -0.11 -1.15 -0.30 0.00 -1.82 0.00 0.00 55.36 51.98 2gji s GLN 74 Cb -0.15 0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 31.84 2gji s GLN 74 CO 0.02 -0.08 1.48 -1.25 -1.32 0.00 0.00 175.29 174.13 2gji s PRO 75 N -3.55 4.23 -0.06 9.60 0.04 -1.26 -0.13 135.00 143.87 2gji s PRO 75 Ca 0.04 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2gji s PRO 75 Cb 0.05 -3.75 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2gji s PRO 75 CO -0.08 -0.70 1.28 1.41 0.04 0.00 0.00 177.00 178.95 2gji s MET 76 N 3.18 4.31 -0.00 4.56 1.75 -1.25 -4.76 119.30 127.09 2gji s MET 76 Ca 0.66 1.77 -0.22 0.00 -1.25 0.00 0.00 55.69 56.65 2gji s MET 76 Cb -0.31 -3.61 -0.05 0.00 2.84 0.00 0.00 34.83 33.70 2gji s MET 76 CO 0.26 -0.54 0.66 0.42 -0.65 0.00 0.00 175.02 175.17 2gji s ILE 77 N 2.54 4.89 0.08 10.11 1.01 -1.26 -4.91 121.20 133.66 2gji s ILE 77 Ca 0.58 1.39 -0.30 0.00 0.00 0.00 0.00 60.65 62.33 2gji s ILE 77 Cb -0.26 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2gji s ILE 77 CO 0.22 0.37 0.99 0.54 0.00 0.00 0.00 174.94 177.06 2gji s VAL 78 N 0.06 4.52 -0.08 2.92 0.11 -1.26 -5.00 120.40 121.67 2gji s VAL 78 Ca 0.34 2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 61.10 2gji s VAL 78 Cb -0.19 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.34 2gji s VAL 78 CO 0.19 0.26 1.51 -2.16 -3.33 0.00 0.00 175.10 171.57 2gji s PRO 79 N 0.29 4.21 0.14 1.54 0.04 -1.26 -4.99 135.00 134.97 2gji s PRO 79 Ca 0.49 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 2gji s PRO 79 Cb -0.24 -3.87 -0.07 0.00 0.04 0.00 0.00 34.50 30.37 2gji s PRO 79 CO 0.30 -0.77 1.00 0.95 0.04 0.00 0.00 177.00 178.51 2gji s THR 80 N 3.68 4.29 0.17 1.26 -4.23 -1.26 -5.00 115.64 114.55 2gji s THR 80 Ca 0.67 1.96 -0.31 0.00 -1.18 0.00 0.00 61.69 62.83 2gji s THR 80 Cb -0.30 -4.25 -0.09 0.00 1.34 0.00 0.00 72.50 69.20 2gji s THR 80 CO 0.25 0.33 1.45 0.28 -0.54 0.00 0.00 174.62 176.38 2gji s THR 81 N -0.18 2.93 0.00 3.99 -1.32 -1.26 -5.34 115.64 114.46 2gji s THR 81 Ca 0.47 0.70 0.00 0.00 -1.21 0.00 0.00 61.69 61.65 2gji s THR 81 Cb -0.25 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 2gji s THR 81 CO 0.31 0.07 0.00 1.21 -2.21 0.00 0.00 174.62 174.00