#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 3.65 -0.95 3.04 0.00 -1.26 -5.10 120.51 119.89 2gji n ALA 2 Ca 0.00 -3.18 -0.34 0.00 0.00 0.00 0.00 53.44 49.92 2gji n ALA 2 Cb 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.58 0.68 -3.64 0.00 -2.24 -1.26 -3.79 114.28 103.45 2gji n THR 3 Ca 0.23 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.63 2gji n THR 3 Cb 0.89 -0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.24 -0.43 -0.05 4.78 2.19 -1.14 -4.76 117.98 116.34 2gji s PHE 4 Ca 0.61 0.92 0.06 0.00 0.33 0.00 0.00 56.93 58.84 2gji s PHE 4 Cb -0.26 -0.06 -0.01 0.00 -1.31 0.00 0.00 43.02 41.39 2gji s PHE 4 CO 0.63 -0.39 -0.22 -1.14 1.83 0.00 0.00 175.22 175.94 2gji s GLN 5 N 2.42 2.15 -0.05 10.12 -0.44 -1.26 -0.06 119.66 132.53 2gji s GLN 5 Ca 0.02 -0.78 -0.01 0.00 -2.50 0.00 0.00 55.36 52.09 2gji s GLN 5 Cb -0.12 -1.87 0.03 0.00 -1.64 0.00 0.00 33.01 29.41 2gji s GLN 5 CO -0.09 0.34 0.02 -0.08 0.50 0.00 0.00 175.29 175.98 2gji s THR 6 N -0.14 0.20 -0.47 -0.34 -1.32 -0.85 -5.01 115.64 107.71 2gji s THR 6 Ca -0.02 0.20 -0.02 0.00 -1.21 0.00 0.00 61.69 60.64 2gji s THR 6 Cb -0.12 -0.37 0.23 0.00 -1.51 0.00 0.00 72.50 70.74 2gji s THR 6 CO 0.02 0.21 2.22 -0.67 -2.21 0.00 0.00 174.62 174.20 2gji n ASP 7 N 4.95 6.82 -3.60 8.08 2.03 -1.26 -2.44 116.55 131.12 2gji n ASP 7 Ca -0.10 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 51.89 2gji n ASP 7 Cb 0.50 -1.09 -0.01 0.00 -0.72 0.00 0.00 41.12 39.80 2gji n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2gji s ALA 8 N -2.39 -2.26 0.91 -1.67 0.00 -1.26 -5.03 121.76 110.05 2gji s ALA 8 Ca 0.47 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.45 2gji s ALA 8 Cb 0.35 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.59 2gji s ALA 8 CO -0.10 -0.87 0.41 -0.40 0.00 0.00 0.00 175.76 174.81 2gji n ASP 9 N -0.32 -1.96 -3.82 0.00 5.68 -1.26 -4.85 116.55 110.01 2gji n ASP 9 Ca -0.05 0.38 -0.12 0.00 -0.50 0.00 0.00 54.79 54.51 2gji n ASP 9 Cb 0.61 -1.20 -0.06 0.00 -1.14 0.00 0.00 41.12 39.32 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 -2.30 0.78 0.21 2.11 -0.71 -0.82 -4.22 117.98 113.04 2gji s PHE 10 Ca 0.58 -1.06 0.06 0.00 -1.04 0.00 0.00 56.93 55.47 2gji s PHE 10 Cb -0.24 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 2gji s PHE 10 CO 0.66 -0.95 0.14 -0.51 -1.34 0.00 0.00 175.22 173.22 2gji s LEU 11 N -3.12 3.72 -0.06 -1.99 1.43 -0.22 -0.20 118.68 118.23 2gji s LEU 11 Ca 0.29 -0.25 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2gji s LEU 11 Cb 0.01 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2gji s LEU 11 CO 0.13 0.02 -0.19 -0.22 0.23 0.00 0.00 176.35 176.33 2gji s LEU 12 N -3.45 1.91 -0.12 1.79 1.98 0.11 -2.03 118.68 118.86 2gji s LEU 12 Ca 0.31 -0.41 0.02 0.00 -2.89 0.00 0.00 54.13 51.16 2gji s LEU 12 Cb -0.09 -1.09 0.01 0.00 0.66 0.00 0.00 46.19 45.68 2gji s LEU 12 CO 0.23 0.14 -0.19 -0.69 -1.89 0.00 0.00 176.35 173.95 2gji s VAL 13 N 0.24 1.79 0.00 1.68 1.01 -0.62 -1.57 120.40 122.93 2gji s VAL 13 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2gji s VAL 13 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2gji s VAL 13 CO 0.04 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2gji n GLY 14 N 4.13 1.68 1.96 4.51 0.00 -1.24 -1.10 105.19 115.13 2gji n GLY 14 Ca -0.19 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 4.33 -4.41 1.61 -0.08 -1.26 -4.85 116.55 111.89 2gji n ASP 15 Ca 0.00 -3.19 -0.38 0.00 -1.51 0.00 0.00 54.79 49.70 2gji n ASP 15 Cb 0.00 -0.75 -0.07 0.00 2.34 0.00 0.00 41.12 42.64 2gji n ASP 15 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2gji n ASP 16 N -0.35 -1.38 -4.81 1.67 5.75 -1.26 -4.88 116.55 111.30 2gji n ASP 16 Ca 0.42 -1.20 -0.34 0.00 -0.01 0.00 0.00 54.79 53.66 2gji n ASP 16 Cb 1.37 -1.87 -0.05 0.00 -1.03 0.00 0.00 41.12 39.54 2gji n ASP 16 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2gji s THR 17 N -3.55 4.06 -0.25 2.12 -4.23 -1.26 -4.93 115.64 107.59 2gji s THR 17 Ca 0.59 1.29 0.26 0.00 -1.18 0.00 0.00 61.69 62.65 2gji s THR 17 Cb -0.34 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.25 2gji s THR 17 CO 1.00 -0.27 1.79 0.28 -0.54 0.00 0.00 174.62 176.88 2gji h SER 18 N 1.75 0.00 1.59 3.99 0.02 -2.03 -1.90 113.55 116.96 2gji h SER 18 Ca -0.49 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 2gji h SER 18 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2gji h SER 18 CO 0.60 0.00 -0.18 0.03 -1.14 0.00 0.00 176.83 176.14 2gji h ARG 19 N 0.00 0.00 -0.51 3.45 3.08 -1.98 -3.24 114.38 115.18 2gji h ARG 19 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2gji h ARG 19 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2gji h ARG 19 CO 0.00 0.18 0.34 1.88 -1.07 0.00 0.00 179.97 181.30 2gji h TYR 20 N 0.00 0.64 -0.30 3.04 -1.99 -1.73 0.26 116.97 116.90 2gji h TYR 20 Ca -0.00 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.59 2gji h TYR 20 Cb 1.03 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 2gji h TYR 20 CO 0.00 0.40 -0.44 1.05 -0.00 0.00 0.00 178.16 179.18 2gji h GLU 21 N 0.69 0.75 -0.14 4.88 4.11 -1.72 -2.11 114.58 121.05 2gji h GLU 21 Ca 0.19 -0.41 -0.03 0.00 0.07 0.00 0.00 59.36 59.18 2gji h GLU 21 Cb -0.08 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2gji h GLU 21 CO -0.04 1.04 -0.02 1.49 0.07 0.00 0.00 179.01 181.55 2gji h GLU 22 N 0.61 0.25 -0.84 1.06 4.22 -1.50 0.56 114.58 118.95 2gji h GLU 22 Ca 0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 59.36 59.37 2gji h GLU 22 Cb 1.00 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 2gji h GLU 22 CO 0.09 0.52 0.45 0.28 -2.18 0.00 0.00 179.01 178.18 2gji h VAL 23 N -0.04 1.24 -0.07 0.32 2.07 -0.51 -2.36 116.25 116.92 2gji h VAL 23 Ca 0.04 -0.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.77 2gji h VAL 23 Cb 0.42 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2gji h VAL 23 CO 0.01 0.28 -0.69 0.24 0.02 0.00 0.00 177.57 177.43 2gji h MET 24 N 1.17 0.31 -0.32 1.57 2.86 -1.30 -3.11 114.93 116.11 2gji h MET 24 Ca 0.29 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2gji h MET 24 Cb 0.03 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 2gji h MET 24 CO -0.05 0.88 0.06 0.87 1.06 0.00 0.00 176.91 179.73 2gji h LYS 25 N 0.21 0.47 -0.05 1.72 6.56 -0.38 -1.74 116.57 123.36 2gji h LYS 25 Ca -0.02 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2gji h LYS 25 Cb 1.24 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2gji h LYS 25 CO 0.11 0.45 0.12 1.79 -2.06 0.00 0.00 179.45 179.86 2gji h THR 26 N 0.46 0.21 -3.28 -0.16 1.35 -1.37 -3.40 112.91 106.72 2gji h THR 26 Ca 0.11 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.39 2gji h THR 26 Cb 0.21 0.89 -0.07 0.00 -1.73 0.00 0.00 68.15 67.45 2gji h THR 26 CO -0.00 0.00 0.75 -0.36 -0.25 0.00 0.00 175.52 175.66 2gji s PHE 27 N -4.35 3.21 0.52 4.73 0.08 -0.65 -4.90 117.98 116.61 2gji s PHE 27 Ca -0.05 1.20 0.26 0.00 0.12 0.00 0.00 56.93 58.46 2gji s PHE 27 Cb 0.13 -3.50 1.39 0.00 -0.57 0.00 0.00 43.02 40.47 2gji s PHE 27 CO 0.44 -0.66 1.96 -0.44 -0.10 0.00 0.00 175.22 176.42 2gji h ASP 28 N 7.94 0.03 0.32 1.36 3.32 -1.86 0.24 116.42 127.77 2gji h ASP 28 Ca -0.21 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 2gji h ASP 28 Cb 1.07 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2gji h ASP 28 CO 0.99 0.02 -0.31 0.00 -1.72 0.00 0.00 179.24 178.22 2gji h THR 29 N 0.04 1.20 -3.48 0.35 1.03 -1.90 -3.43 112.91 106.71 2gji h THR 29 Ca 0.31 -1.06 -0.53 0.00 -0.01 0.00 0.00 66.41 65.12 2gji h THR 29 Cb 1.19 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 69.83 2gji h THR 29 CO -0.01 0.30 0.39 -0.69 -0.01 0.00 0.00 175.52 175.50 2gji s VAL 30 N -4.32 4.54 -0.23 0.00 1.01 0.85 -0.19 120.40 122.06 2gji s VAL 30 Ca -0.03 1.97 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 2gji s VAL 30 Cb 0.15 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 2gji s VAL 30 CO 0.71 0.24 -0.25 1.21 0.00 0.00 0.00 175.10 177.01 2gji n GLU 31 N 3.26 0.52 -3.58 2.72 2.13 0.86 -4.76 120.64 121.80 2gji n GLU 31 Ca 0.04 0.17 -0.10 0.00 0.66 0.00 0.00 57.16 57.93 2gji n GLU 31 Cb 0.49 -1.38 -0.05 0.00 0.27 0.00 0.00 31.44 30.77 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 -2.43 -1.93 0.01 4.31 0.00 -0.85 -5.02 121.76 115.84 2gji s ALA 32 Ca -0.31 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.26 2gji s ALA 32 Cb 0.10 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2gji s ALA 32 CO 0.46 -0.32 -0.12 0.54 0.00 0.00 0.00 175.76 176.32 2gji s VAL 33 N -1.17 0.91 -0.01 0.00 0.11 -1.26 -0.05 120.40 118.93 2gji s VAL 33 Ca -0.01 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2gji s VAL 33 Cb -0.00 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 2gji s VAL 33 CO 0.01 0.15 -0.01 -0.13 -3.33 0.00 0.00 175.10 171.79 2gji s ARG 34 N -0.56 0.24 0.88 1.54 1.81 -0.88 -4.98 118.95 117.01 2gji s ARG 34 Ca 0.03 -0.01 -0.13 0.00 -1.72 0.00 0.00 55.73 53.89 2gji s ARG 34 Cb -0.05 -0.32 0.05 0.00 -0.45 0.00 0.00 34.95 34.17 2gji s ARG 34 CO 0.00 -0.03 0.70 0.36 -0.68 0.00 0.00 175.30 175.65 2gji n LYS 35 N 3.52 -0.13 -3.29 3.54 -0.00 -1.26 -1.93 118.16 118.61 2gji n LYS 35 Ca -0.19 0.02 -0.42 0.00 -0.00 0.00 0.00 58.31 57.72 2gji n LYS 35 Cb 0.55 -2.04 -0.08 0.00 -0.00 0.00 0.00 35.03 33.45 2gji n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2gji s SER 36 N -2.04 6.24 0.50 -5.58 0.15 0.84 -4.76 113.70 109.05 2gji s SER 36 Ca 0.63 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 57.19 2gji s SER 36 Cb -0.25 -2.24 1.30 0.00 -1.71 0.00 0.00 66.02 63.11 2gji s SER 36 CO 0.61 -0.51 1.94 0.44 1.20 0.00 0.00 173.24 176.92 2gji h ASP 37 N 8.59 0.14 -0.10 5.45 3.32 -1.92 -1.14 116.42 130.77 2gji h ASP 37 Ca -0.28 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 2gji h ASP 37 Cb 1.12 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 2gji h ASP 37 CO 0.77 0.07 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.13 2gji h LEU 38 N 0.14 0.31 -7.75 1.55 3.38 -1.96 -3.44 115.31 107.55 2gji h LEU 38 Ca 0.34 -0.54 -0.48 0.00 0.09 0.00 0.00 57.88 57.28 2gji h LEU 38 Cb 1.13 -0.09 -0.35 0.00 0.09 0.00 0.00 40.66 41.44 2gji h LEU 38 CO -0.05 0.79 -0.79 -0.62 0.09 0.00 0.00 178.44 177.86 2gji s ASP 39 N -6.12 1.70 0.56 -0.43 -1.08 -0.43 -5.00 116.67 105.86 2gji s ASP 39 Ca -0.15 -0.23 0.34 0.00 -0.52 0.00 0.00 52.55 52.00 2gji s ASP 39 Cb 0.04 -0.69 1.49 0.00 -1.46 0.00 0.00 42.92 42.30 2gji s ASP 39 CO 0.74 -0.08 2.03 -0.78 0.52 0.00 0.00 175.17 177.61 2gji h ASP 40 N 7.66 0.00 -0.72 -0.34 3.58 -1.85 -2.56 116.42 122.19 2gji h ASP 40 Ca -0.30 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.80 2gji h ASP 40 Cb 1.15 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.99 2gji h ASP 40 CO 0.42 0.03 0.45 0.54 -2.88 0.00 0.00 179.24 177.79 2gji n ARG 41 N -3.15 2.14 -3.78 0.28 5.12 -1.26 -4.60 116.66 111.41 2gji n ARG 41 Ca -0.00 -2.27 -0.14 0.00 -1.93 0.00 0.00 57.85 53.51 2gji n ARG 41 Cb 0.28 -1.90 -0.15 0.00 -1.16 0.00 0.00 32.46 29.53 2gji n ARG 41 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2gji s VAL 42 N -2.46 -0.04 -0.07 1.55 1.01 -0.96 -3.70 120.40 115.72 2gji s VAL 42 Ca 0.43 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2gji s VAL 42 Cb 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.60 2gji s VAL 42 CO 0.09 0.07 -0.10 -0.31 0.00 0.00 0.00 175.10 174.84 2gji s TYR 43 N 0.91 1.33 -0.28 5.22 1.51 -0.61 -0.11 117.35 125.32 2gji s TYR 43 Ca -0.07 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.29 2gji s TYR 43 Cb -0.10 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 2gji s TYR 43 CO -0.04 -0.30 0.57 0.00 -1.11 0.00 0.00 175.55 174.68 2gji s MET 44 N 0.87 3.98 -0.36 -0.62 0.23 -0.81 0.07 119.30 122.65 2gji s MET 44 Ca -0.11 0.30 -0.14 0.00 -1.03 0.00 0.00 55.69 54.71 2gji s MET 44 Cb -0.15 -3.69 -0.01 0.00 -1.53 0.00 0.00 34.83 29.45 2gji s MET 44 CO 0.01 -0.46 0.26 0.08 -2.03 0.00 0.00 175.02 172.88 2gji s VAL 45 N 2.44 5.28 -0.38 5.16 1.01 0.72 -2.06 120.40 132.56 2gji s VAL 45 Ca 0.23 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 2gji s VAL 45 Cb -0.15 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2gji s VAL 45 CO 0.10 -0.10 0.55 0.00 0.00 0.00 0.00 175.10 175.65 2gji s LEU 47 N 2.51 2.26 0.81 0.00 1.43 -1.26 -0.10 118.68 124.33 2gji s LEU 47 Ca 0.20 0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2gji s LEU 47 Cb -0.15 -2.88 0.16 0.00 0.03 0.00 0.00 46.19 43.36 2gji s LEU 47 CO 0.15 -2.57 1.11 -0.54 0.23 0.00 0.00 176.35 174.73 2gji s LYS 48 N -5.58 1.24 -0.36 1.70 1.02 0.73 -4.51 119.74 113.98 2gji s LYS 48 Ca 0.67 -1.02 -0.20 0.00 0.02 0.00 0.00 55.97 55.45 2gji s LYS 48 Cb -0.10 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 2gji s LYS 48 CO 0.52 -1.82 0.59 -1.14 -0.92 0.00 0.00 175.35 172.58 2gji s GLN 49 N -5.39 3.60 0.00 1.68 0.74 -1.26 -3.88 119.66 115.15 2gji s GLN 49 Ca 0.70 -0.08 0.00 0.00 0.05 0.00 0.00 55.36 56.03 2gji s GLN 49 Cb -0.04 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.24 2gji s GLN 49 CO 0.47 -0.74 0.00 0.41 -0.55 0.00 0.00 175.29 174.88 2gji n GLY 50 N 4.76 2.82 3.94 2.59 0.00 -1.26 -5.08 105.19 112.96 2gji n GLY 50 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.38 5.82 -0.08 1.61 0.01 -1.25 -5.11 113.70 113.31 2gji s SER 51 Ca 0.00 0.43 -0.05 0.00 1.31 0.00 0.00 55.95 57.65 2gji s SER 51 Cb 0.00 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.63 2gji s SER 51 CO 0.00 -0.76 0.20 -0.89 0.41 0.00 0.00 173.24 172.19 2gji s THR 52 N -2.66 -0.03 -0.75 1.44 2.01 -1.26 -4.77 115.64 109.61 2gji s THR 52 Ca 0.49 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 2gji s THR 52 Cb -0.10 -0.30 0.09 0.00 0.01 0.00 0.00 72.50 72.19 2gji s THR 52 CO 0.40 0.05 1.03 0.12 -0.69 0.00 0.00 174.62 175.53 2gji s PHE 53 N 0.93 2.79 -0.04 4.92 2.19 -1.02 -4.83 117.98 122.92 2gji s PHE 53 Ca -0.07 -0.80 -0.01 0.00 0.33 0.00 0.00 56.93 56.39 2gji s PHE 53 Cb -0.08 -4.31 -0.04 0.00 -1.31 0.00 0.00 43.02 37.28 2gji s PHE 53 CO -0.05 -1.62 0.03 0.08 1.83 0.00 0.00 175.22 175.49 2gji s VAL 54 N 3.73 4.47 -0.36 3.12 1.01 -1.26 -2.02 120.40 129.10 2gji s VAL 54 Ca 0.26 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 2gji s VAL 54 Cb -0.13 -2.97 0.08 0.00 0.00 0.00 0.00 36.38 33.37 2gji s VAL 54 CO 0.04 0.46 0.10 -0.76 0.00 0.00 0.00 175.10 174.94 2gji s LEU 55 N -1.34 4.63 0.51 3.92 1.43 0.91 -4.95 118.68 123.78 2gji s LEU 55 Ca 0.18 -1.70 0.24 0.00 -1.03 0.00 0.00 54.13 51.81 2gji s LEU 55 Cb -0.12 -1.76 1.37 0.00 0.03 0.00 0.00 46.19 45.71 2gji s LEU 55 CO 0.08 -0.41 2.07 0.78 0.23 0.00 0.00 176.35 179.11 2gji h ASN 56 N 7.99 0.00 -0.08 2.29 2.35 -1.98 -2.52 115.58 123.64 2gji h ASN 56 Ca -0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 2gji h ASN 56 Cb 1.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 2gji h ASN 56 CO 0.61 0.12 -0.11 0.61 -1.65 0.00 0.00 177.43 177.01 2gji n GLY 57 N -0.87 4.80 7.00 2.83 0.00 -1.26 -4.76 105.19 112.92 2gji n GLY 57 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.18 0.11 0.18 -0.02 0.00 -0.96 -2.81 105.19 100.50 2gji n GLY 58 Ca 0.19 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.33 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 0.53 -0.42 -0.61 1.08 -1.91 -3.29 117.51 112.90 2gji h ILE 59 Ca 0.00 -1.66 -0.01 0.00 -0.39 0.00 0.00 64.86 62.80 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 0.29 0.24 -0.33 -0.69 0.00 0.00 178.15 177.66 2gji h GLU 60 N 0.00 0.58 -0.27 2.37 5.08 -1.90 -1.54 114.58 118.90 2gji h GLU 60 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2gji h GLU 60 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2gji h GLU 60 CO 0.04 0.45 0.12 1.05 -1.00 0.00 0.00 179.01 179.67 2gji h GLU 61 N 0.55 0.37 -0.22 2.33 -0.00 -1.58 -1.88 114.58 114.15 2gji h GLU 61 Ca 0.15 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 59.34 2gji h GLU 61 Cb 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 28.70 2gji h GLU 61 CO -0.03 0.30 -0.37 1.25 -0.00 0.00 0.00 179.01 180.17 2gji h LEU 62 N 0.38 0.70 -0.85 3.06 5.85 -1.52 -2.82 115.31 120.11 2gji h LEU 62 Ca 0.10 -0.53 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2gji h LEU 62 Cb 0.06 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2gji h LEU 62 CO -0.01 1.10 0.42 0.03 -0.34 0.00 0.00 178.44 179.63 2gji h ARG 63 N 0.33 1.22 -0.41 1.25 3.08 -0.82 -2.37 114.38 116.66 2gji h ARG 63 Ca 0.02 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 2gji h ARG 63 Cb 0.96 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 2gji h ARG 63 CO 0.08 0.93 0.07 -0.07 -1.07 0.00 0.00 179.97 179.91 2gji h LEU 64 N 1.21 0.57 0.00 3.04 3.38 -1.35 0.20 115.31 122.36 2gji h LEU 64 Ca 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2gji h LEU 64 Cb 0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2gji h LEU 64 CO -0.04 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.27 2gji n LEU 65 N -4.30 0.00 0.27 1.67 4.77 -0.90 -2.96 117.00 115.55 2gji n LEU 65 Ca 0.02 0.95 0.12 0.00 -0.03 0.00 0.00 56.01 57.07 2gji n LEU 65 Cb 0.22 -0.45 0.75 0.00 -2.33 0.00 0.00 43.42 41.61 2gji n LEU 65 CO 0.39 -0.45 1.04 0.00 -1.33 0.00 0.00 177.39 177.04 2gji h THR 66 N 0.00 0.72 0.00 -5.08 1.03 -1.58 -3.46 112.91 104.54 2gji h THR 66 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 2gji h THR 66 Cb 0.00 1.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 2gji h THR 66 CO 0.00 0.06 0.00 0.61 -0.01 0.00 0.00 175.52 176.18 2gji n GLY 67 N -1.13 0.84 3.00 2.99 0.00 0.52 -5.04 105.19 106.36 2gji n GLY 67 Ca -0.03 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.36 2.48 0.00 1.61 -1.08 -0.20 -4.97 116.67 112.14 2gji s ASP 68 Ca 0.00 -0.42 0.31 0.00 -0.52 0.00 0.00 52.55 51.92 2gji s ASP 68 Cb 0.00 -1.06 1.74 0.00 -1.46 0.00 0.00 42.92 42.13 2gji s ASP 68 CO 0.00 -0.06 2.15 -1.20 0.52 0.00 0.00 175.17 176.58 2gji n SER 69 N 4.69 0.04 0.09 -0.34 7.64 -1.26 -3.09 113.62 121.38 2gji n SER 69 Ca -0.16 -0.68 0.06 0.00 1.01 0.00 0.00 58.87 59.09 2gji n SER 69 Cb 0.50 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.58 2gji n SER 69 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2gji h THR 70 N 0.05 0.30 -1.89 0.44 1.35 -1.94 -3.47 112.91 107.76 2gji h THR 70 Ca 0.00 -1.54 -0.65 0.00 -0.55 0.00 0.00 66.41 63.67 2gji h THR 70 Cb 0.12 1.86 0.02 0.00 -1.73 0.00 0.00 68.15 68.43 2gji h THR 70 CO 0.00 0.17 0.99 -0.11 -0.25 0.00 0.00 175.52 176.32 2gji n LEU 71 N -2.86 3.02 -4.08 3.87 0.00 -1.18 -4.21 117.00 111.57 2gji n LEU 71 Ca -0.03 1.02 -0.12 0.00 0.00 0.00 0.00 56.01 56.87 2gji n LEU 71 Cb 0.69 -1.30 -0.11 0.00 0.00 0.00 0.00 43.42 42.70 2gji n LEU 71 CO 0.41 -0.23 -0.40 -1.61 0.00 0.00 0.00 177.39 175.56 2gji s GLU 72 N 3.48 0.58 -0.13 1.96 2.02 -0.26 -4.79 118.70 121.57 2gji s GLU 72 Ca 0.93 -0.86 -0.02 0.00 0.02 0.00 0.00 54.97 55.04 2gji s GLU 72 Cb -0.82 -0.27 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 2gji s GLU 72 CO 0.54 0.03 -0.07 0.42 0.02 0.00 0.00 175.26 176.21 2gji s ILE 73 N -1.81 3.62 0.11 -1.63 1.01 -1.26 -1.59 121.20 119.66 2gji s ILE 73 Ca -0.06 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.18 2gji s ILE 73 Cb -0.07 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2gji s ILE 73 CO -0.01 0.52 -0.14 -1.10 0.00 0.00 0.00 174.94 174.22 2gji s GLN 74 N 0.10 0.98 -0.66 2.79 -0.21 -0.86 -4.96 119.66 116.84 2gji s GLN 74 Ca -0.02 -1.18 -0.26 0.00 0.02 0.00 0.00 55.36 53.92 2gji s GLN 74 Cb -0.14 -0.89 -0.03 0.00 1.00 0.00 0.00 33.01 32.96 2gji s GLN 74 CO 0.03 0.18 1.88 -1.25 -2.12 0.00 0.00 175.29 174.01 2gji s PRO 75 N -2.47 2.61 0.11 2.91 0.04 -1.26 -1.05 135.00 135.89 2gji s PRO 75 Ca 0.07 0.47 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 2gji s PRO 75 Cb -0.06 -4.49 -0.09 0.00 0.04 0.00 0.00 34.50 29.90 2gji s PRO 75 CO 0.03 -2.84 1.55 1.41 0.04 0.00 0.00 177.00 177.19 2gji s MET 76 N 7.04 4.23 -0.07 4.56 1.75 -1.26 -4.88 119.30 130.68 2gji s MET 76 Ca 0.68 2.27 0.04 0.00 -1.25 0.00 0.00 55.69 57.42 2gji s MET 76 Cb -0.12 -3.34 -0.02 0.00 2.84 0.00 0.00 34.83 34.19 2gji s MET 76 CO 0.17 -0.61 -0.18 0.42 -0.65 0.00 0.00 175.02 174.17 2gji s ILE 77 N 1.70 2.74 -0.03 10.11 -1.09 -1.26 -4.89 121.20 128.48 2gji s ILE 77 Ca 0.70 -0.82 -0.21 0.00 -2.23 0.00 0.00 60.65 58.08 2gji s ILE 77 Cb -0.40 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 2gji s ILE 77 CO 0.31 0.57 0.61 -0.69 -1.23 0.00 0.00 174.94 174.51 2gji s VAL 78 N -0.35 4.97 -0.41 2.92 1.01 -1.26 -5.01 120.40 122.26 2gji s VAL 78 Ca 0.03 1.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.99 2gji s VAL 78 Cb -0.12 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2gji s VAL 78 CO 0.02 0.37 1.73 -2.16 0.00 0.00 0.00 175.10 175.07 2gji s PRO 79 N 0.11 3.23 1.01 2.72 0.04 -1.26 -4.98 135.00 135.87 2gji s PRO 79 Ca 0.32 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 2gji s PRO 79 Cb -0.18 -4.20 0.20 0.00 0.04 0.00 0.00 34.50 30.36 2gji s PRO 79 CO 0.17 -1.98 1.10 -0.08 0.04 0.00 0.00 177.00 176.25 2gji s THR 80 N 7.06 2.02 -0.78 1.26 -1.32 -1.26 -4.98 115.64 117.64 2gji s THR 80 Ca 0.73 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 61.25 2gji s THR 80 Cb -0.19 -2.02 0.21 0.00 -1.51 0.00 0.00 72.50 68.99 2gji s THR 80 CO 0.31 -0.01 0.68 0.35 -2.21 0.00 0.00 174.62 173.74 2gji n THR 81 N -4.52 2.38 0.00 5.08 -2.24 -1.26 -5.34 114.28 108.39 2gji n THR 81 Ca 0.09 -5.06 0.00 0.00 -2.27 0.00 0.00 64.05 56.80 2gji n THR 81 Cb 0.53 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 2gji n THR 81 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71