#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 3.76 -1.31 3.17 0.00 -1.26 -5.09 120.51 119.79 2gji n ALA 2 Ca 0.00 -3.25 -0.36 0.00 0.00 0.00 0.00 53.44 49.83 2gji n ALA 2 Cb 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.70 2.04 -3.64 0.00 -2.24 -1.26 -3.72 114.28 104.76 2gji n THR 3 Ca 0.23 -0.41 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 2gji n THR 3 Cb 0.85 -0.80 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.86 -0.39 0.01 4.78 2.19 -1.14 -4.85 117.98 116.71 2gji s PHE 4 Ca 0.67 0.86 0.07 0.00 0.33 0.00 0.00 56.93 58.86 2gji s PHE 4 Cb -0.36 -0.09 -0.02 0.00 -1.31 0.00 0.00 43.02 41.24 2gji s PHE 4 CO 0.56 -0.37 -0.21 -1.14 1.83 0.00 0.00 175.22 175.89 2gji s GLN 5 N 2.40 1.55 -0.16 10.12 -0.44 -1.26 -0.06 119.66 131.81 2gji s GLN 5 Ca 0.02 -0.81 -0.10 0.00 -2.50 0.00 0.00 55.36 51.98 2gji s GLN 5 Cb -0.12 -1.56 0.05 0.00 -1.64 0.00 0.00 33.01 29.74 2gji s GLN 5 CO -0.09 0.42 0.40 -0.08 0.50 0.00 0.00 175.29 176.44 2gji s THR 6 N -0.60 -0.02 -0.63 -0.34 -1.32 -0.57 -5.00 115.64 107.16 2gji s THR 6 Ca 0.08 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.63 2gji s THR 6 Cb -0.08 -0.58 0.45 0.00 -1.51 0.00 0.00 72.50 70.77 2gji s THR 6 CO 0.00 0.03 1.93 -0.67 -2.21 0.00 0.00 174.62 173.71 2gji n ASP 7 N 4.02 7.36 -3.65 8.08 -0.08 -1.26 -1.71 116.55 129.30 2gji n ASP 7 Ca -0.22 -3.79 -0.03 0.00 -1.51 0.00 0.00 54.79 49.25 2gji n ASP 7 Cb 0.55 -0.90 -0.01 0.00 2.34 0.00 0.00 41.12 43.10 2gji n ASP 7 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gji s ALA 8 N -3.81 -1.90 0.84 -1.67 0.00 -1.26 -5.01 121.76 108.96 2gji s ALA 8 Ca 0.63 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 2gji s ALA 8 Cb 0.50 0.44 0.01 0.00 0.00 0.00 0.00 23.12 24.06 2gji s ALA 8 CO -0.02 -0.94 0.50 -0.40 0.00 0.00 0.00 175.76 174.91 2gji n ASP 9 N -0.40 -1.53 -3.89 0.00 5.68 -1.26 -4.76 116.55 110.40 2gji n ASP 9 Ca -0.07 0.46 -0.09 0.00 -0.50 0.00 0.00 54.79 54.59 2gji n ASP 9 Cb 0.61 -1.23 -0.06 0.00 -1.14 0.00 0.00 41.12 39.31 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 -2.16 0.23 -0.04 2.11 -0.12 -0.80 -3.74 117.98 113.46 2gji s PHE 10 Ca 0.61 -0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 56.88 2gji s PHE 10 Cb -0.27 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 2gji s PHE 10 CO 0.62 -0.78 0.11 -0.51 -0.05 0.00 0.00 175.22 174.61 2gji s LEU 11 N -2.94 4.10 -0.03 -1.99 1.43 0.75 -0.56 118.68 119.45 2gji s LEU 11 Ca 0.14 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2gji s LEU 11 Cb 0.02 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 2gji s LEU 11 CO -0.01 0.31 -0.21 -0.22 0.23 0.00 0.00 176.35 176.45 2gji s LEU 12 N -1.58 2.01 -0.10 1.79 2.96 0.88 -0.59 118.68 124.04 2gji s LEU 12 Ca 0.22 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2gji s LEU 12 Cb -0.12 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.48 2gji s LEU 12 CO 0.12 0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.56 2gji s VAL 13 N -0.27 1.33 0.00 1.68 1.01 -0.87 -1.66 120.40 121.61 2gji s VAL 13 Ca 0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2gji s VAL 13 Cb -0.10 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2gji s VAL 13 CO 0.01 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2gji n GLY 14 N 4.32 4.11 1.01 4.51 0.00 -1.24 -1.13 105.19 116.77 2gji n GLY 14 Ca -0.18 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.43 2gji n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gji n ASP 15 N 0.00 1.33 -3.24 1.61 8.00 -1.26 -4.88 116.55 118.11 2gji n ASP 15 Ca 0.00 -2.89 -0.08 0.00 0.71 0.00 0.00 54.79 52.53 2gji n ASP 15 Cb 0.00 -0.40 0.01 0.00 -0.02 0.00 0.00 41.12 40.71 2gji n ASP 15 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2gji n ASP 16 N -0.31 -7.05 -4.63 -2.24 9.92 -1.26 -5.00 116.55 105.97 2gji n ASP 16 Ca 0.12 -0.36 -0.34 0.00 -0.53 0.00 0.00 54.79 53.68 2gji n ASP 16 Cb 0.91 -4.64 -0.10 0.00 -0.64 0.00 0.00 41.12 36.64 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2gji s THR 17 N -3.09 4.01 -0.14 -3.53 -4.23 -1.26 -4.99 115.64 102.41 2gji s THR 17 Ca 0.10 -0.38 0.28 0.00 -1.18 0.00 0.00 61.69 60.51 2gji s THR 17 Cb -0.02 -2.67 0.30 0.00 1.34 0.00 0.00 72.50 71.45 2gji s THR 17 CO 0.78 0.59 1.85 -1.28 -0.54 0.00 0.00 174.62 176.02 2gji h SER 18 N 5.15 0.00 0.27 3.99 0.87 -2.03 -1.73 113.55 120.08 2gji h SER 18 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2gji h SER 18 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2gji h SER 18 CO 0.53 0.00 0.00 -1.14 -0.53 0.00 0.00 176.83 175.69 2gji n ARG 19 N -2.57 0.55 -0.13 2.24 3.00 -1.26 -3.51 116.66 114.99 2gji n ARG 19 Ca 0.00 0.03 0.12 0.00 -0.00 0.00 0.00 57.85 58.00 2gji n ARG 19 Cb 0.19 -1.50 0.47 0.00 0.00 0.00 0.00 32.46 31.63 2gji n ARG 19 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 2gji h TYR 20 N 0.00 0.52 -0.15 -0.14 -0.00 -1.74 0.21 116.97 115.68 2gji h TYR 20 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 58.66 2gji h TYR 20 Cb 0.14 -0.17 -0.00 0.00 -0.00 0.00 0.00 36.73 36.70 2gji h TYR 20 CO 0.00 0.24 -0.24 1.05 -0.00 0.00 0.00 178.16 179.21 2gji h GLU 21 N 0.48 0.42 -0.41 0.10 4.11 -1.82 -2.60 114.58 114.86 2gji h GLU 21 Ca 0.31 -0.26 -0.07 0.00 0.07 0.00 0.00 59.36 59.41 2gji h GLU 21 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2gji h GLU 21 CO -0.10 0.85 -0.03 1.49 0.07 0.00 0.00 179.01 181.29 2gji h GLU 22 N 0.04 0.74 -0.53 1.06 4.57 -1.56 0.83 114.58 119.74 2gji h GLU 22 Ca 0.01 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 57.98 2gji h GLU 22 Cb 0.81 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 2gji h GLU 22 CO 0.05 0.84 0.27 0.28 -1.18 0.00 0.00 179.01 179.28 2gji h VAL 23 N 0.56 0.96 -0.12 0.32 2.07 -0.66 -2.27 116.25 117.12 2gji h VAL 23 Ca 0.11 -0.18 -0.21 0.00 0.82 0.00 0.00 66.70 67.24 2gji h VAL 23 Cb 0.53 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2gji h VAL 23 CO 0.03 0.10 -0.78 0.24 0.02 0.00 0.00 177.57 177.18 2gji h MET 24 N 0.53 0.64 -0.45 1.57 2.86 -1.38 -3.10 114.93 115.60 2gji h MET 24 Ca 0.23 -0.53 0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2gji h MET 24 Cb 0.13 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 0.35 0.87 1.06 0.00 0.00 176.91 180.19 2gji h LYS 25 N 0.43 0.00 -0.18 1.72 6.56 -0.38 0.52 116.57 125.24 2gji h LYS 25 Ca -0.05 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.59 2gji h LYS 25 Cb 1.39 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.04 2gji h LYS 25 CO 0.15 0.00 0.26 1.79 -2.06 0.00 0.00 179.45 179.59 2gji h THR 26 N 0.00 0.31 -3.62 -0.16 1.35 -1.34 -3.37 112.91 106.08 2gji h THR 26 Ca 0.22 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.38 2gji h THR 26 Cb 0.91 0.78 -0.22 0.00 -1.73 0.00 0.00 68.15 67.89 2gji h THR 26 CO -0.00 0.00 -0.51 -0.36 -0.25 0.00 0.00 175.52 174.40 2gji s PHE 27 N -4.47 3.22 0.56 4.73 0.40 0.17 -4.95 117.98 117.64 2gji s PHE 27 Ca -0.04 -0.63 0.28 0.00 -0.60 0.00 0.00 56.93 55.94 2gji s PHE 27 Cb 0.14 -2.44 1.47 0.00 0.51 0.00 0.00 43.02 42.70 2gji s PHE 27 CO 0.48 -0.52 1.96 0.22 0.70 0.00 0.00 175.22 178.06 2gji h ASP 28 N 8.44 0.00 -0.06 1.36 3.58 -1.84 0.16 116.42 128.08 2gji h ASP 28 Ca -0.29 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.18 2gji h ASP 28 Cb 1.13 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 2gji h ASP 28 CO 0.65 0.00 0.05 0.74 -2.88 0.00 0.00 179.24 177.80 2gji h THR 29 N 0.00 0.78 -3.15 2.25 2.02 -1.91 -3.42 112.91 109.49 2gji h THR 29 Ca 0.24 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.89 2gji h THR 29 Cb 1.11 0.97 0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2gji h THR 29 CO -0.00 0.00 0.64 -0.69 0.37 0.00 0.00 175.52 175.84 2gji s VAL 30 N -4.89 3.61 -0.19 3.16 1.01 0.57 -0.09 120.40 123.59 2gji s VAL 30 Ca -0.05 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.09 2gji s VAL 30 Cb 0.16 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 2gji s VAL 30 CO 0.62 0.11 -0.19 1.21 0.00 0.00 0.00 175.10 176.85 2gji n GLU 31 N 3.72 0.45 -3.72 2.72 2.13 0.92 -4.71 120.64 122.16 2gji n GLU 31 Ca 0.09 0.13 -0.07 0.00 0.66 0.00 0.00 57.16 57.97 2gji n GLU 31 Cb 0.44 -1.32 -0.02 0.00 0.27 0.00 0.00 31.44 30.81 2gji n GLU 31 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2gji s ALA 32 N -2.37 -1.44 0.07 4.31 0.00 -0.79 -5.01 121.76 116.53 2gji s ALA 32 Ca -0.26 0.05 0.05 0.00 0.00 0.00 0.00 51.96 51.80 2gji s ALA 32 Cb 0.08 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 2gji s ALA 32 CO 0.40 -0.95 -0.13 0.08 0.00 0.00 0.00 175.76 175.16 2gji s VAL 33 N -3.70 1.00 -0.05 0.00 1.01 -1.26 -0.71 120.40 116.69 2gji s VAL 33 Ca 0.09 -1.27 -0.03 0.00 0.00 0.00 0.00 61.98 60.76 2gji s VAL 33 Cb -0.04 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2gji s VAL 33 CO 0.00 -0.26 0.13 -0.13 0.00 0.00 0.00 175.10 174.84 2gji s ARG 34 N -1.74 0.11 0.35 2.72 1.81 -0.66 -5.00 118.95 116.55 2gji s ARG 34 Ca -0.03 0.26 -0.19 0.00 -1.72 0.00 0.00 55.73 54.05 2gji s ARG 34 Cb -0.10 -0.05 -0.10 0.00 -0.45 0.00 0.00 34.95 34.25 2gji s ARG 34 CO 0.02 -0.09 0.84 -1.59 -0.68 0.00 0.00 175.30 173.80 2gji s LYS 35 N 0.59 4.17 -0.29 3.54 0.00 -1.26 -0.79 119.74 125.71 2gji s LYS 35 Ca -0.04 0.93 -0.20 0.00 0.00 0.00 0.00 55.97 56.66 2gji s LYS 35 Cb -0.06 -2.41 -0.01 0.00 0.00 0.00 0.00 37.83 35.34 2gji s LYS 35 CO -0.03 0.12 0.59 0.45 0.00 0.00 0.00 175.35 176.49 2gji s SER 36 N -2.11 6.48 0.30 0.03 0.15 -0.56 -4.90 113.70 113.09 2gji s SER 36 Ca 0.56 0.47 -0.02 0.00 0.70 0.00 0.00 55.95 57.65 2gji s SER 36 Cb -0.11 -2.32 0.44 0.00 -1.71 0.00 0.00 66.02 62.32 2gji s SER 36 CO 0.17 -0.42 1.93 -0.78 1.20 0.00 0.00 173.24 175.34 2gji h ASP 37 N 8.12 0.90 -0.28 5.45 1.82 -1.96 -2.69 116.42 127.77 2gji h ASP 37 Ca -0.27 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.24 2gji h ASP 37 Cb 1.12 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 2gji h ASP 37 CO 0.77 0.70 -0.10 -0.07 -1.61 0.00 0.00 179.24 178.94 2gji h LEU 38 N 1.03 0.58 -7.66 2.28 4.07 -1.97 -3.41 115.31 110.24 2gji h LEU 38 Ca 0.27 -0.38 -0.57 0.00 0.08 0.00 0.00 57.88 57.27 2gji h LEU 38 Cb -0.02 -0.16 -0.38 0.00 1.08 0.00 0.00 40.66 41.18 2gji h LEU 38 CO -0.05 0.83 -0.80 -1.81 -1.08 0.00 0.00 178.44 175.54 2gji s ASP 39 N -6.21 3.06 0.55 -0.43 1.01 -1.02 -4.99 116.67 108.65 2gji s ASP 39 Ca -0.13 -0.77 0.34 0.00 0.71 0.00 0.00 52.55 52.70 2gji s ASP 39 Cb 0.08 -1.01 1.46 0.00 1.01 0.00 0.00 42.92 44.46 2gji s ASP 39 CO 0.78 -0.18 2.02 0.44 0.21 0.00 0.00 175.17 178.45 2gji h ASP 40 N 8.07 0.00 -0.38 0.27 3.32 -1.81 -2.08 116.42 123.81 2gji h ASP 40 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2gji h ASP 40 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2gji h ASP 40 CO 0.42 0.04 0.00 0.54 -1.72 0.00 0.00 179.24 178.52 2gji n ARG 41 N -3.17 2.55 -4.75 3.56 1.74 -1.26 -4.72 116.66 110.61 2gji n ARG 41 Ca -0.00 -1.66 -0.26 0.00 -0.77 0.00 0.00 57.85 55.16 2gji n ARG 41 Cb 0.28 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.69 1.35 -0.01 1.55 1.01 -0.78 -3.70 120.40 118.12 2gji s VAL 42 Ca 0.30 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2gji s VAL 42 Cb 0.19 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 2gji s VAL 42 CO 0.15 0.40 -0.09 -0.31 0.00 0.00 0.00 175.10 175.24 2gji s TYR 43 N 0.39 0.86 -0.27 5.22 1.51 -0.67 -1.49 117.35 122.91 2gji s TYR 43 Ca -0.11 -0.18 -0.08 0.00 -1.01 0.00 0.00 57.07 55.69 2gji s TYR 43 Cb -0.14 -0.58 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2gji s TYR 43 CO 0.04 -0.04 0.09 0.00 -1.11 0.00 0.00 175.55 174.53 2gji s MET 44 N -0.07 3.59 -0.22 -0.62 0.23 0.03 -0.08 119.30 122.16 2gji s MET 44 Ca 0.01 -0.53 -0.13 0.00 -1.03 0.00 0.00 55.69 54.02 2gji s MET 44 Cb -0.05 -3.40 -0.05 0.00 -1.53 0.00 0.00 34.83 29.80 2gji s MET 44 CO -0.00 -0.24 0.25 0.08 -2.03 0.00 0.00 175.02 173.08 2gji s VAL 45 N 1.62 5.30 -0.38 5.16 1.01 0.28 -1.65 120.40 131.74 2gji s VAL 45 Ca 0.06 0.40 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 2gji s VAL 45 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2gji s VAL 45 CO 0.05 0.32 0.26 0.00 0.00 0.00 0.00 175.10 175.73 2gji s LEU 47 N 1.68 2.94 0.05 0.00 1.43 -1.26 -0.05 118.68 123.46 2gji s LEU 47 Ca 0.05 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.30 2gji s LEU 47 Cb -0.18 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 2gji s LEU 47 CO 0.10 -1.55 0.92 -0.54 0.23 0.00 0.00 176.35 175.51 2gji s LYS 48 N -5.13 4.60 -0.38 1.70 1.02 0.87 -4.59 119.74 117.84 2gji s LYS 48 Ca 0.59 1.35 -0.31 0.00 0.02 0.00 0.00 55.97 57.61 2gji s LYS 48 Cb -0.13 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.67 2gji s LYS 48 CO 0.54 0.12 2.28 1.04 -0.92 0.00 0.00 175.35 178.41 2gji n GLN 49 N 3.25 1.24 0.00 1.68 1.13 -1.26 -0.37 117.38 123.05 2gji n GLN 49 Ca 0.03 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 2gji n GLN 49 Cb 0.50 -2.78 0.00 0.00 0.11 0.00 0.00 30.24 28.07 2gji n GLN 49 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gji n GLY 50 N 6.25 2.24 3.95 1.08 0.00 -1.26 -5.11 105.19 112.33 2gji n GLY 50 Ca 0.39 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.94 5.53 -0.12 1.61 0.01 0.50 -5.10 113.70 114.19 2gji s SER 51 Ca 0.00 0.34 -0.04 0.00 1.31 0.00 0.00 55.95 57.56 2gji s SER 51 Cb 0.00 -1.38 0.05 0.00 0.21 0.00 0.00 66.02 64.90 2gji s SER 51 CO 0.00 -0.99 0.09 -0.89 0.41 0.00 0.00 173.24 171.86 2gji s THR 52 N -2.79 -0.12 -0.85 1.44 2.01 -1.26 -4.77 115.64 109.31 2gji s THR 52 Ca 0.53 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 2gji s THR 52 Cb -0.10 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.01 2gji s THR 52 CO 0.41 -0.10 1.51 0.12 -0.69 0.00 0.00 174.62 175.87 2gji s PHE 53 N 2.17 2.22 -0.04 4.92 2.19 -0.69 -4.88 117.98 123.86 2gji s PHE 53 Ca 0.03 -0.13 -0.01 0.00 0.33 0.00 0.00 56.93 57.16 2gji s PHE 53 Cb -0.14 -4.50 -0.04 0.00 -1.31 0.00 0.00 43.02 37.03 2gji s PHE 53 CO -0.07 -2.02 0.03 0.08 1.83 0.00 0.00 175.22 175.08 2gji s VAL 54 N 6.51 4.47 -0.33 3.12 1.01 -1.26 -1.51 120.40 132.41 2gji s VAL 54 Ca 0.48 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2gji s VAL 54 Cb -0.06 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.44 2gji s VAL 54 CO 0.05 0.47 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 2gji s LEU 55 N -1.33 4.44 0.43 3.92 1.43 0.91 -4.95 118.68 123.53 2gji s LEU 55 Ca 0.18 -1.77 0.22 0.00 -1.03 0.00 0.00 54.13 51.73 2gji s LEU 55 Cb -0.12 -1.69 0.93 0.00 0.03 0.00 0.00 46.19 45.35 2gji s LEU 55 CO 0.08 -0.36 1.84 0.78 0.23 0.00 0.00 176.35 178.92 2gji h ASN 56 N 7.85 0.00 0.00 2.29 4.21 -1.98 -2.98 115.58 124.97 2gji h ASN 56 Ca -0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.38 2gji h ASN 56 Cb 1.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2gji h ASN 56 CO 0.56 0.27 -0.80 0.61 -1.29 0.00 0.00 177.43 176.77 2gji n GLY 57 N -0.03 -0.39 2.17 2.83 0.00 -1.26 -4.79 105.19 103.71 2gji n GLY 57 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 1.38 -1.60 0.18 -0.02 0.00 -1.15 -4.22 105.19 99.75 2gji n GLY 58 Ca 0.02 -1.77 0.07 0.00 0.00 0.00 0.00 46.02 44.34 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 0.51 -0.41 -0.61 1.08 -1.91 -3.29 117.51 112.89 2gji h ILE 59 Ca 0.00 -1.64 -0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2gji h ILE 59 Cb 0.00 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 2gji h ILE 59 CO 0.00 0.28 0.24 -0.33 -0.69 0.00 0.00 178.15 177.65 2gji h GLU 60 N 0.00 0.56 -0.24 2.37 3.07 -1.90 -1.46 114.58 116.99 2gji h GLU 60 Ca -0.00 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 2gji h GLU 60 Cb 1.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 2gji h GLU 60 CO 0.04 0.43 0.01 1.05 -1.40 0.00 0.00 179.01 179.13 2gji h GLU 61 N 0.54 0.35 -0.20 2.33 -0.00 -1.73 -2.30 114.58 113.58 2gji h GLU 61 Ca 0.15 -0.06 -0.16 0.00 -0.00 0.00 0.00 59.36 59.29 2gji h GLU 61 Cb 0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 28.70 2gji h GLU 61 CO -0.03 0.38 -0.53 1.25 -0.00 0.00 0.00 179.01 180.08 2gji h LEU 62 N 0.35 0.63 -1.18 3.06 5.85 -1.51 -3.04 115.31 119.47 2gji h LEU 62 Ca 0.08 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 2gji h LEU 62 Cb 0.23 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2gji h LEU 62 CO 0.00 1.05 -0.10 0.03 -0.34 0.00 0.00 178.44 179.08 2gji h ARG 63 N 0.44 0.45 -0.28 1.25 3.08 -0.73 -2.51 114.38 116.09 2gji h ARG 63 Ca 0.01 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2gji h ARG 63 Cb 1.08 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 2gji h ARG 63 CO 0.10 0.55 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.39 2gji h LEU 64 N 0.42 0.44 0.38 3.04 3.38 -1.36 0.27 115.31 121.88 2gji h LEU 64 Ca 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2gji h LEU 64 Cb 0.44 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2gji h LEU 64 CO 0.02 0.58 -0.24 -0.07 0.09 0.00 0.00 178.44 178.82 2gji h LEU 65 N 0.43 -0.60 -1.31 1.67 3.38 -1.42 -2.98 115.31 114.48 2gji h LEU 65 Ca 0.09 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2gji h LEU 65 Cb 0.43 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2gji h LEU 65 CO 0.02 -0.36 -0.24 0.00 0.09 0.00 0.00 178.44 177.95 2gji h THR 66 N -0.58 0.67 0.00 0.22 1.03 -1.57 -3.47 112.91 109.20 2gji h THR 66 Ca -0.05 -1.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.30 2gji h THR 66 Cb 0.47 1.68 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 2gji h THR 66 CO 0.05 0.23 0.00 0.61 -0.01 0.00 0.00 175.52 176.40 2gji n GLY 67 N -0.11 0.87 2.87 2.99 0.00 0.79 -5.07 105.19 107.53 2gji n GLY 67 Ca -0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 2gji n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gji s ASP 68 N -2.51 1.11 0.44 1.61 2.15 -0.25 -4.98 116.67 114.24 2gji s ASP 68 Ca 0.00 -0.13 0.25 0.00 0.43 0.00 0.00 52.55 53.10 2gji s ASP 68 Cb 0.00 -0.46 0.67 0.00 -0.30 0.00 0.00 42.92 42.83 2gji s ASP 68 CO 0.00 -0.08 1.72 0.28 -0.17 0.00 0.00 175.17 176.92 2gji h SER 69 N 7.44 0.00 0.42 -0.34 0.02 -1.98 -3.07 113.55 116.04 2gji h SER 69 Ca -0.34 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2gji h SER 69 Cb 1.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2gji h SER 69 CO 0.43 0.12 -0.08 0.74 -1.14 0.00 0.00 176.83 176.89 2gji h THR 70 N 0.00 0.40 -1.53 -2.27 2.02 -1.94 -3.43 112.91 106.15 2gji h THR 70 Ca -0.00 -0.46 -0.67 0.00 0.77 0.00 0.00 66.41 66.05 2gji h THR 70 Cb 0.89 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2gji h THR 70 CO 0.02 0.08 1.20 -0.11 0.37 0.00 0.00 175.52 177.07 2gji n LEU 71 N -3.47 2.65 -4.31 2.58 0.00 -1.16 -4.48 117.00 108.82 2gji n LEU 71 Ca -0.02 0.74 -0.16 0.00 0.00 0.00 0.00 56.01 56.57 2gji n LEU 71 Cb 0.23 -1.28 -0.10 0.00 0.00 0.00 0.00 43.42 42.27 2gji n LEU 71 CO 0.28 -0.44 -0.38 -1.61 0.00 0.00 0.00 177.39 175.24 2gji s GLU 72 N 4.91 1.23 -0.05 1.96 2.02 -0.29 -4.77 118.70 123.71 2gji s GLU 72 Ca 1.01 -1.57 0.03 0.00 0.02 0.00 0.00 54.97 54.46 2gji s GLU 72 Cb -0.84 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 32.65 2gji s GLU 72 CO 0.54 0.03 -0.16 0.42 0.02 0.00 0.00 175.26 176.11 2gji s ILE 73 N -3.28 1.34 0.09 -1.63 1.01 -1.26 -2.05 121.20 115.42 2gji s ILE 73 Ca 0.22 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2gji s ILE 73 Cb 0.03 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 2gji s ILE 73 CO 0.05 0.39 -0.11 -1.10 0.00 0.00 0.00 174.94 174.17 2gji s GLN 74 N 0.29 0.84 -0.31 2.79 -0.21 0.24 -4.98 119.66 118.32 2gji s GLN 74 Ca -0.09 -1.09 -0.29 0.00 0.02 0.00 0.00 55.36 53.91 2gji s GLN 74 Cb -0.13 -0.63 -0.02 0.00 1.00 0.00 0.00 33.01 33.23 2gji s GLN 74 CO 0.03 0.11 1.67 -1.25 -2.12 0.00 0.00 175.29 173.73 2gji s PRO 75 N -2.44 3.54 -0.01 2.91 0.04 -1.26 -0.18 135.00 137.60 2gji s PRO 75 Ca 0.03 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2gji s PRO 75 Cb -0.05 -4.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.31 2gji s PRO 75 CO 0.01 -1.61 1.66 1.41 0.04 0.00 0.00 177.00 178.51 2gji s MET 76 N 5.19 4.19 -0.07 4.56 1.75 -1.25 -4.80 119.30 128.87 2gji s MET 76 Ca 0.74 2.25 -0.21 0.00 -1.25 0.00 0.00 55.69 57.22 2gji s MET 76 Cb -0.22 -3.86 -0.04 0.00 2.84 0.00 0.00 34.83 33.55 2gji s MET 76 CO 0.32 -0.80 0.60 0.42 -0.65 0.00 0.00 175.02 174.91 2gji s ILE 77 N 3.55 5.08 0.09 10.11 1.01 -1.26 -4.90 121.20 134.88 2gji s ILE 77 Ca 0.74 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 2gji s ILE 77 Cb -0.36 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2gji s ILE 77 CO 0.31 0.31 1.02 0.54 0.00 0.00 0.00 174.94 177.12 2gji s VAL 78 N 0.57 4.41 0.76 2.92 0.11 -1.26 -5.03 120.40 122.87 2gji s VAL 78 Ca 0.32 1.91 -0.11 0.00 -2.93 0.00 0.00 61.98 61.18 2gji s VAL 78 Cb -0.17 -4.22 0.05 0.00 -1.53 0.00 0.00 36.38 30.51 2gji s VAL 78 CO 0.15 0.25 1.09 -2.16 -3.33 0.00 0.00 175.10 171.10 2gji s PRO 79 N 0.29 2.32 0.06 1.54 0.04 -1.26 -5.06 135.00 132.93 2gji s PRO 79 Ca 0.50 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.77 2gji s PRO 79 Cb -0.25 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2gji s PRO 79 CO 0.30 -1.60 0.01 -0.08 0.04 0.00 0.00 177.00 175.68 2gji s THR 80 N -2.84 4.14 -0.41 1.26 -1.32 -1.26 -5.09 115.64 110.12 2gji s THR 80 Ca 0.62 -0.84 -0.14 0.00 -1.21 0.00 0.00 61.69 60.12 2gji s THR 80 Cb -0.18 -2.94 0.03 0.00 -1.51 0.00 0.00 72.50 67.91 2gji s THR 80 CO 0.54 0.19 0.29 0.42 -2.21 0.00 0.00 174.62 173.86 2gji s THR 81 N -1.26 5.09 0.00 5.08 -4.23 -1.26 -5.36 115.64 113.70 2gji s THR 81 Ca 0.25 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 2gji s THR 81 Cb -0.12 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.86 2gji s THR 81 CO 0.17 -0.33 0.00 1.21 -0.54 0.00 0.00 174.62 175.12