#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dox n SER 2 N 0.00 1.52 0.00 0.00 2.88 -1.25 -4.98 113.62 111.78 1dox n SER 2 Ca 0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1dox n SER 2 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1dox n SER 2 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1dox n TYR 3 N -4.14 0.00 0.00 0.66 4.02 -0.08 -4.98 117.16 112.64 1dox n TYR 3 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1dox n TYR 3 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1dox n TYR 3 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1dox n THR 4 N 0.00 0.00 0.00 -0.72 5.66 0.83 -4.58 114.28 115.47 1dox n THR 4 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1dox n THR 4 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1dox n THR 4 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1dox n VAL 5 N 0.00 0.00 0.00 1.08 0.31 -1.17 -2.11 118.33 116.44 1dox n VAL 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1dox n VAL 5 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1dox n VAL 5 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1dox n LYS 6 N 0.00 0.00 0.00 5.55 0.00 -0.41 -1.05 118.16 122.25 1dox n LYS 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1dox n LYS 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1dox n LYS 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1dox n LEU 7 N 0.00 0.00 0.00 3.14 7.94 -0.25 -1.02 117.00 126.81 1dox n LEU 7 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1dox n LEU 7 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1dox n LEU 7 CO 0.00 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 175.90 1dox n ILE 8 N 0.00 0.00 -4.02 1.96 5.41 -0.92 -2.76 119.36 119.02 1dox n ILE 8 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1dox n ILE 8 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 1dox n ILE 8 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1dox n THR 9 N 0.00 0.00 -0.05 1.39 -2.24 -0.76 -2.61 114.28 110.01 1dox n THR 9 Ca 0.00 -1.46 0.24 0.00 -2.27 0.00 0.00 64.05 60.56 1dox n THR 9 Cb 0.00 0.83 0.63 0.00 -2.10 0.00 0.00 70.33 69.69 1dox n THR 9 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1dox h PRO 10 N 0.00 0.00 -2.95 -0.78 0.11 -1.99 0.85 132.00 127.23 1dox h PRO 10 Ca -0.19 0.00 -0.79 0.00 0.11 0.00 0.00 66.00 65.13 1dox h PRO 10 Cb 0.87 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.69 1dox h PRO 10 CO 0.26 0.00 0.65 -3.47 -0.21 0.00 0.00 178.00 175.23 1dox n ASP 11 N -3.54 6.14 0.00 -2.05 2.03 -1.26 -4.83 116.55 113.04 1dox n ASP 11 Ca 0.15 -3.37 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1dox n ASP 11 Cb 1.01 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1dox n ASP 11 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dox n GLY 12 N 1.46 3.57 2.44 0.27 0.00 0.29 -4.96 105.19 108.27 1dox n GLY 12 Ca 0.26 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1dox n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dox n GLU 13 N 0.00 1.58 -2.77 1.61 2.13 -1.18 -1.82 120.64 120.19 1dox n GLU 13 Ca 0.00 -4.03 -0.38 0.00 0.66 0.00 0.00 57.16 53.40 1dox n GLU 13 Cb 0.00 -1.89 -0.06 0.00 0.27 0.00 0.00 31.44 29.75 1dox n GLU 13 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1dox s SER 14 N -1.59 7.46 -0.32 4.31 0.15 -1.11 -4.83 113.70 117.77 1dox s SER 14 Ca 0.35 1.88 -0.01 0.00 0.70 0.00 0.00 55.95 58.87 1dox s SER 14 Cb 0.10 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.93 1dox s SER 14 CO -0.09 0.03 0.12 -0.94 1.20 0.00 0.00 173.24 173.55 1dox s SER 15 N -1.44 3.92 0.36 5.45 1.04 -0.91 -1.09 113.70 121.04 1dox s SER 15 Ca 0.46 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 55.16 1dox s SER 15 Cb -0.22 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 65.08 1dox s SER 15 CO 0.27 -0.40 0.00 2.30 0.98 0.00 0.00 173.24 176.39 1dox n ILE 16 N 4.72 0.00 0.00 -1.02 -0.00 -0.21 -4.45 119.36 118.40 1dox n ILE 16 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1dox n ILE 16 Cb 0.41 -0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.84 1dox n ILE 16 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1dox n GLU 17 N -3.37 0.00 -1.41 6.28 2.13 -1.26 0.29 120.64 123.30 1dox n GLU 17 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 1dox n GLU 17 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1dox n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dox s SER 19 N -2.25 0.13 -0.43 0.00 0.15 -1.26 -2.91 113.70 107.13 1dox s SER 19 Ca 0.00 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1dox s SER 19 Cb 0.00 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1dox s SER 19 CO 0.00 -4.62 0.00 -0.67 1.20 0.00 0.00 173.24 169.15 1dox n ASP 20 N -5.11 -1.76 -1.85 5.45 -0.08 -1.26 -3.63 116.55 108.31 1dox n ASP 20 Ca 0.12 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1dox n ASP 20 Cb 0.59 -1.71 0.00 0.00 2.34 0.00 0.00 41.12 42.34 1dox n ASP 20 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1dox n ASP 21 N -0.83 -7.69 0.00 1.67 8.00 -1.15 -5.02 116.55 111.52 1dox n ASP 21 Ca -0.05 1.22 0.00 0.00 0.71 0.00 0.00 54.79 56.67 1dox n ASP 21 Cb 0.40 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.22 1dox n ASP 21 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dox n THR 22 N 1.50 0.00 -3.40 -3.53 -1.04 -1.16 -4.94 114.28 101.72 1dox n THR 22 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1dox n THR 22 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1dox n THR 22 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1dox s TYR 23 N -0.35 0.34 0.00 -1.42 1.51 -1.26 -4.73 117.35 111.44 1dox s TYR 23 Ca 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 57.07 54.66 1dox s TYR 23 Cb 0.00 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 1dox s TYR 23 CO 0.00 -0.89 0.00 0.44 -1.11 0.00 0.00 175.55 173.99 1dox n ILE 24 N 3.93 0.00 -0.57 2.71 -5.35 -1.26 -3.29 119.36 115.53 1dox n ILE 24 Ca 0.14 0.00 0.45 0.00 -0.27 0.00 0.00 62.75 63.07 1dox n ILE 24 Cb 0.42 0.00 0.69 0.00 -1.74 0.00 0.00 39.64 39.00 1dox n ILE 24 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1dox n LEU 25 N 0.00 0.00 -0.25 7.28 7.94 -1.24 -0.29 117.00 130.44 1dox n LEU 25 Ca 0.00 0.87 -0.12 0.00 -1.11 0.00 0.00 56.01 55.65 1dox n LEU 25 Cb 0.00 -0.41 -0.09 0.00 0.53 0.00 0.00 43.42 43.44 1dox n LEU 25 CO 0.00 -0.87 0.50 -0.78 -1.11 0.00 0.00 177.39 175.13 1dox h ASP 26 N 0.00 -1.94 -0.21 1.96 1.82 -1.79 0.73 116.42 116.99 1dox h ASP 26 Ca 0.79 0.28 -0.06 0.00 -0.39 0.00 0.00 57.03 57.64 1dox h ASP 26 Cb 3.33 0.83 -0.02 0.00 0.68 0.00 0.00 39.33 44.15 1dox h ASP 26 CO -0.01 -0.34 -0.04 0.00 -1.61 0.00 0.00 179.24 177.24 1dox h ALA 27 N 0.22 1.31 -3.00 -0.78 0.00 -0.64 0.07 119.26 116.44 1dox h ALA 27 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1dox h ALA 27 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1dox h ALA 27 CO -0.73 0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.98 1dox n ALA 28 N -2.48 0.00 1.77 0.00 0.00 0.24 -2.65 120.51 117.39 1dox n ALA 28 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1dox n ALA 28 Cb 0.27 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.07 1dox n ALA 28 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1dox n GLU 29 N 0.00 0.89 -0.11 0.00 2.13 -0.51 -2.75 120.64 120.30 1dox n GLU 29 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1dox n GLU 29 Cb 0.00 -1.20 -0.09 0.00 0.27 0.00 0.00 31.44 30.41 1dox n GLU 29 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1dox n GLU 30 N -0.70 0.51 0.18 5.31 0.00 -0.79 -1.80 120.64 123.35 1dox n GLU 30 Ca 0.09 0.15 0.14 0.00 0.00 0.00 0.00 57.16 57.54 1dox n GLU 30 Cb 0.04 -1.38 0.58 0.00 0.00 0.00 0.00 31.44 30.68 1dox n GLU 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dox h ALA 31 N -0.29 1.00 0.00 4.31 0.00 -0.77 0.76 119.26 124.26 1dox h ALA 31 Ca -0.51 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.07 1dox h ALA 31 Cb 1.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1dox h ALA 31 CO -0.17 0.00 -2.06 0.41 0.00 0.00 0.00 179.25 177.42 1dox n GLY 32 N -0.05 -0.40 1.32 0.00 0.00 -1.11 -4.79 105.19 100.16 1dox n GLY 32 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.93 1dox n GLY 32 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1dox n LEU 33 N -4.11 1.48 -1.78 0.99 -0.00 -1.12 -5.07 117.00 107.39 1dox n LEU 33 Ca -0.41 -2.53 0.00 0.00 -0.00 0.00 0.00 56.01 53.07 1dox n LEU 33 Cb 0.76 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1dox n LEU 33 CO 0.05 0.76 -0.09 -0.67 -0.00 0.00 0.00 177.39 177.44 1dox n ASP 34 N 0.05 -4.01 0.01 1.45 2.03 0.26 -4.83 116.55 111.52 1dox n ASP 34 Ca 0.10 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1dox n ASP 34 Cb 1.02 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1dox n ASP 34 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1dox n LEU 35 N 1.54 -0.07 -4.51 -2.67 4.77 -0.83 -4.89 117.00 110.34 1dox n LEU 35 Ca 0.00 0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 1dox n LEU 35 Cb 0.09 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 1dox n LEU 35 CO 0.00 -0.51 1.31 -2.65 -1.33 0.00 0.00 177.39 174.20 1dox n PRO 36 N -2.59 0.31 -0.67 3.23 -0.01 -1.26 -4.16 135.00 129.86 1dox n PRO 36 Ca 0.00 -0.85 -0.03 0.00 -0.01 0.00 0.00 63.50 62.61 1dox n PRO 36 Cb 0.00 -3.11 -0.03 0.00 -0.01 0.00 0.00 33.50 30.35 1dox n PRO 36 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 175.50 176.47 1dox n TYR 37 N 15.81 0.00 -0.04 6.00 9.36 -1.26 -4.51 117.16 142.53 1dox n TYR 37 Ca 0.46 -0.20 -0.01 0.00 3.32 0.00 0.00 57.90 61.47 1dox n TYR 37 Cb 0.40 0.34 -0.00 0.00 -0.63 0.00 0.00 39.34 39.45 1dox n TYR 37 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1dox h SER 38 N 0.00 0.00 0.00 2.98 0.87 -2.02 -3.42 113.55 111.96 1dox h SER 38 Ca -0.23 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.08 1dox h SER 38 Cb 1.07 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 1dox h SER 38 CO -0.12 0.39 -2.07 0.00 -0.53 0.00 0.00 176.83 174.50 1dox n ARG 40 N -2.53 -2.67 -2.24 0.00 0.63 -1.26 -4.35 116.66 104.23 1dox n ARG 40 Ca -0.23 2.26 -0.06 0.00 -0.92 0.00 0.00 57.85 58.90 1dox n ARG 40 Cb 0.95 -5.09 0.03 0.00 0.45 0.00 0.00 32.46 28.80 1dox n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1dox n ALA 41 N 0.16 -1.36 -2.52 5.13 0.00 -1.26 -5.04 120.51 115.62 1dox n ALA 41 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1dox n ALA 41 Cb 0.31 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1dox n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dox n GLY 42 N -1.38 4.63 2.49 0.00 0.00 -1.26 -5.03 105.19 104.64 1dox n GLY 42 Ca -0.03 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1dox n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dox n ALA 43 N -3.00 1.08 -2.55 4.61 0.00 -1.26 -4.84 120.51 114.55 1dox n ALA 43 Ca 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.98 1dox n ALA 43 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1dox n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dox n SER 45 N 0.00 -0.20 -0.07 0.00 3.41 -1.26 -4.84 113.62 110.66 1dox n SER 45 Ca 0.00 -2.07 -0.22 0.00 -0.26 0.00 0.00 58.87 56.32 1dox n SER 45 Cb 0.00 0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 63.96 1dox n SER 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1dox n THR 46 N -0.49 1.62 -0.97 6.66 -1.04 -1.26 -4.24 114.28 114.57 1dox n THR 46 Ca -0.11 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.05 61.44 1dox n THR 46 Cb 0.87 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 1dox n THR 46 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dox n ALA 48 N 1.06 -5.08 -3.65 0.00 0.00 -1.24 -4.30 120.51 107.29 1dox n ALA 48 Ca 0.30 -0.82 -0.06 0.00 0.00 0.00 0.00 53.44 52.87 1dox n ALA 48 Cb 0.61 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 1dox n ALA 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1dox s GLY 49 N -1.19 -0.64 -0.70 0.00 0.00 -1.26 -4.39 107.32 99.14 1dox s GLY 49 Ca 0.43 2.32 -0.26 0.00 0.00 0.00 0.00 44.72 47.21 1dox s GLY 49 CO 0.77 2.55 2.01 1.25 0.00 0.00 0.00 173.10 179.68 1dox s LYS 50 N 2.02 2.44 0.00 2.90 2.47 -1.04 -3.71 119.74 124.82 1dox s LYS 50 Ca -0.09 0.42 0.00 0.00 -1.56 0.00 0.00 55.97 54.74 1dox s LYS 50 Cb -0.07 -4.66 0.00 0.00 -1.46 0.00 0.00 37.83 31.64 1dox s LYS 50 CO -0.19 -3.16 0.00 0.44 0.16 0.00 0.00 175.35 172.60 1dox n ILE 51 N 7.66 0.00 0.00 5.43 -6.64 -1.26 -3.34 119.36 121.21 1dox n ILE 51 Ca 0.31 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.29 1dox n ILE 51 Cb 0.50 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.70 1dox n ILE 51 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1dox n THR 52 N 0.32 0.00 0.00 7.28 -2.24 -1.23 -4.37 114.28 114.04 1dox n THR 52 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1dox n THR 52 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1dox n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dox n ALA 53 N 0.00 0.88 -0.00 6.98 0.00 -0.16 0.46 120.51 128.67 1dox n ALA 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1dox n ALA 53 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1dox n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dox n GLY 54 N -1.28 0.11 0.00 0.00 0.00 -0.48 -3.84 105.19 99.70 1dox n GLY 54 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1dox n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dox n SER 55 N -4.00 0.00 -3.46 1.61 3.41 -1.22 -4.56 113.62 105.41 1dox n SER 55 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1dox n SER 55 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1dox n SER 55 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dox s VAL 56 N -2.11 -0.31 0.00 -3.33 0.11 -0.59 0.63 120.40 114.80 1dox s VAL 56 Ca 0.00 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1dox s VAL 56 Cb 0.00 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1dox s VAL 56 CO 0.00 -0.46 0.00 -0.67 -3.33 0.00 0.00 175.10 170.64 1dox n ASP 57 N 5.30 0.00 -1.42 3.54 2.03 -1.22 -3.46 116.55 121.32 1dox n ASP 57 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1dox n ASP 57 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 1dox n ASP 57 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1dox n GLN 58 N -0.41 0.00 0.00 -0.67 7.27 -1.26 -4.65 117.38 117.67 1dox n GLN 58 Ca 0.00 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1dox n GLN 58 Cb 0.00 -1.42 0.00 0.00 2.41 0.00 0.00 30.24 31.23 1dox n GLN 58 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1dox n SER 59 N -0.82 4.56 -2.92 1.69 2.88 -1.26 -5.01 113.62 112.74 1dox n SER 59 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1dox n SER 59 Cb 0.35 0.73 0.07 0.00 -0.75 0.00 0.00 64.21 64.61 1dox n SER 59 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1dox n ASP 60 N -1.56 -3.50 0.00 -3.46 -0.08 -1.26 -4.98 116.55 101.71 1dox n ASP 60 Ca 0.00 -0.46 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1dox n ASP 60 Cb 0.18 -4.11 0.00 0.00 2.34 0.00 0.00 41.12 39.53 1dox n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1dox n GLN 61 N -3.71 0.00 0.00 -0.67 3.00 -1.26 -5.10 117.38 109.63 1dox n GLN 61 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1dox n GLN 61 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.84 1dox n GLN 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1dox n SER 62 N -0.33 0.00 -2.53 1.08 2.88 -1.26 -4.98 113.62 108.48 1dox n SER 62 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1dox n SER 62 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1dox n SER 62 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1dox n PHE 63 N 0.00 1.30 0.00 0.66 1.16 -1.26 -4.44 117.46 114.88 1dox n PHE 63 Ca 0.00 -2.00 0.00 0.00 -1.87 0.00 0.00 57.45 53.58 1dox n PHE 63 Cb 0.00 -1.59 0.00 0.00 -1.61 0.00 0.00 39.48 36.28 1dox n PHE 63 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1dox n LEU 64 N 1.67 0.00 -3.64 5.98 4.32 -1.26 -4.69 117.00 119.38 1dox n LEU 64 Ca 0.51 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.46 1dox n LEU 64 Cb 0.60 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 1dox n LEU 64 CO 0.35 0.00 1.08 -0.62 -1.22 0.00 0.00 177.39 176.98 1dox s ASP 65 N 1.00 -0.12 -0.13 -1.43 2.15 -1.23 -2.72 116.67 114.19 1dox s ASP 65 Ca 0.00 0.17 -0.06 0.00 0.43 0.00 0.00 52.55 53.09 1dox s ASP 65 Cb 0.00 0.15 0.02 0.00 -0.30 0.00 0.00 42.92 42.79 1dox s ASP 65 CO 0.00 -0.08 0.11 0.47 -0.17 0.00 0.00 175.17 175.50 1dox n ASP 66 N 1.00 -4.35 -0.46 -0.34 9.92 -0.69 -4.49 116.55 117.14 1dox n ASP 66 Ca -0.06 1.15 0.36 0.00 -0.53 0.00 0.00 54.79 55.71 1dox n ASP 66 Cb 0.58 -3.75 0.56 0.00 -0.64 0.00 0.00 41.12 37.87 1dox n ASP 66 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1dox n ASP 67 N 1.79 0.05 -2.53 -2.24 8.00 -1.16 -2.63 116.55 117.83 1dox n ASP 67 Ca -0.19 0.82 -0.04 0.00 0.71 0.00 0.00 54.79 56.09 1dox n ASP 67 Cb 0.35 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 1dox n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dox n GLN 68 N -3.66 0.46 -0.67 -1.24 -0.00 -1.26 -4.82 117.38 106.19 1dox n GLN 68 Ca 0.31 -0.89 0.00 0.00 -0.00 0.00 0.00 57.00 56.43 1dox n GLN 68 Cb 1.36 0.02 0.00 0.00 -0.00 0.00 0.00 30.24 31.62 1dox n GLN 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1dox n ILE 69 N -0.55 0.00 -2.66 -0.39 5.41 -1.08 -4.99 119.36 115.11 1dox n ILE 69 Ca -0.18 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.53 1dox n ILE 69 Cb 0.69 -0.23 0.06 0.00 -0.71 0.00 0.00 39.64 39.45 1dox n ILE 69 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1dox n GLU 70 N -1.82 0.06 0.00 0.38 2.13 -1.26 -4.81 120.64 115.31 1dox n GLU 70 Ca 0.00 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.20 1dox n GLU 70 Cb 0.10 0.06 0.00 0.00 0.27 0.00 0.00 31.44 31.87 1dox n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dox n ALA 71 N 1.94 0.00 0.07 4.31 0.00 -1.26 -4.39 120.51 121.18 1dox n ALA 71 Ca 0.05 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.69 1dox n ALA 71 Cb 0.69 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.72 1dox n ALA 71 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1dox h GLY 72 N 0.00 0.00 0.00 0.00 0.00 -1.87 -1.80 103.07 99.41 1dox h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dox h GLY 72 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.52 1dox n TYR 73 N -3.28 0.00 0.00 5.60 4.19 -1.24 -3.89 117.16 118.53 1dox n TYR 73 Ca 0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.31 1dox n TYR 73 Cb 0.90 -0.04 0.00 0.00 0.49 0.00 0.00 39.34 40.70 1dox n TYR 73 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1dox n VAL 74 N -1.05 0.00 -1.98 2.97 0.24 -1.25 -4.47 118.33 112.79 1dox n VAL 74 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 1dox n VAL 74 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1dox n VAL 74 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1dox s LEU 75 N 0.00 4.38 0.00 1.34 1.43 -1.10 -4.52 118.68 120.20 1dox s LEU 75 Ca 0.00 2.68 0.25 0.00 -1.03 0.00 0.00 54.13 56.03 1dox s LEU 75 Cb 0.00 -3.62 0.44 0.00 0.03 0.00 0.00 46.19 43.04 1dox s LEU 75 CO 0.00 -0.74 1.37 1.07 0.23 0.00 0.00 176.35 178.28 1dox n THR 76 N 2.63 0.00 -0.63 5.49 5.66 -1.26 -3.58 114.28 122.59 1dox n THR 76 Ca 0.08 -0.23 0.06 0.00 -3.05 0.00 0.00 64.05 60.92 1dox n THR 76 Cb 0.40 0.85 0.10 0.00 -1.55 0.00 0.00 70.33 70.12 1dox n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dox n VAL 78 N -0.91 0.31 -0.47 0.00 0.31 -1.25 -4.08 118.33 112.24 1dox n VAL 78 Ca 0.11 -0.37 0.06 0.00 -0.01 0.00 0.00 64.34 64.12 1dox n VAL 78 Cb 0.51 0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 33.67 1dox n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dox n ALA 79 N 0.32 -1.24 0.00 3.52 0.00 -1.26 -4.62 120.51 117.23 1dox n ALA 79 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1dox n ALA 79 Cb 0.28 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1dox n ALA 79 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1dox n TYR 80 N -2.95 0.00 -0.92 0.00 9.36 -1.22 -3.94 117.16 117.49 1dox n TYR 80 Ca -0.02 0.00 -0.21 0.00 3.32 0.00 0.00 57.90 60.99 1dox n TYR 80 Cb 0.22 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.82 1dox n TYR 80 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1dox n PRO 81 N -0.65 0.00 -0.10 2.98 -0.02 -1.26 -1.55 135.00 134.40 1dox n PRO 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1dox n PRO 81 Cb 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1dox n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1dox n THR 82 N 4.18 0.00 1.90 3.45 -2.24 0.21 -4.62 114.28 117.16 1dox n THR 82 Ca 0.41 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.20 1dox n THR 82 Cb 0.04 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.35 1dox n THR 82 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1dox n SER 83 N 0.02 0.00 -0.76 3.42 7.64 -1.24 -4.76 113.62 117.94 1dox n SER 83 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1dox n SER 83 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1dox n SER 83 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1dox n ASP 84 N -0.54 -3.72 -4.76 6.43 -0.08 -1.26 -4.28 116.55 108.34 1dox n ASP 84 Ca 0.02 0.33 -0.36 0.00 -1.51 0.00 0.00 54.79 53.27 1dox n ASP 84 Cb 0.01 -1.57 0.01 0.00 2.34 0.00 0.00 41.12 41.91 1dox n ASP 84 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1dox n THR 86 N -1.15 0.00 -4.00 0.00 -1.04 0.17 -1.29 114.28 106.98 1dox n THR 86 Ca 0.11 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.82 1dox n THR 86 Cb 0.49 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.84 1dox n THR 86 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1dox s ILE 87 N 0.00 1.64 -0.24 12.58 1.10 -0.18 -0.99 121.20 135.10 1dox s ILE 87 Ca 0.00 -1.01 -0.20 0.00 -0.51 0.00 0.00 60.65 58.93 1dox s ILE 87 Cb 0.00 -1.72 -0.02 0.00 0.15 0.00 0.00 42.46 40.87 1dox s ILE 87 CO 0.00 0.17 0.61 -0.70 -2.11 0.00 0.00 174.94 172.91 1dox s GLU 88 N 1.40 4.13 0.00 3.50 2.56 -1.21 -2.17 118.70 126.90 1dox s GLU 88 Ca -0.01 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.48 1dox s GLU 88 Cb -0.16 -3.63 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1dox s GLU 88 CO -0.08 -0.36 0.00 2.41 -0.56 0.00 0.00 175.26 176.67 1dox n THR 89 N 5.07 0.00 -0.96 -1.70 -1.04 -1.07 -2.50 114.28 112.07 1dox n THR 89 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1dox n THR 89 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1dox n THR 89 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dox n HIS 90 N 0.00 0.00 -2.54 -1.42 1.44 -1.26 -4.22 115.22 107.21 1dox n HIS 90 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1dox n HIS 90 Cb 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 29.73 1dox n HIS 90 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1dox n LYS 91 N -2.11 -2.80 -0.11 -1.40 3.00 -1.26 -3.71 118.16 109.76 1dox n LYS 91 Ca 0.00 2.35 0.02 0.00 -0.00 0.00 0.00 58.31 60.68 1dox n LYS 91 Cb 0.07 -4.76 0.08 0.00 0.00 0.00 0.00 35.03 30.42 1dox n LYS 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1dox n GLU 92 N 0.44 1.51 -1.41 1.64 1.02 -1.26 -4.80 120.64 117.77 1dox n GLU 92 Ca 0.02 -0.62 -0.14 0.00 -0.02 0.00 0.00 57.16 56.39 1dox n GLU 92 Cb 0.07 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 1dox n GLU 92 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1dox n GLU 93 N 0.03 -1.50 0.00 3.49 4.07 -1.26 -4.54 120.64 120.93 1dox n GLU 93 Ca 0.06 0.99 0.00 0.00 -0.06 0.00 0.00 57.16 58.15 1dox n GLU 93 Cb 0.22 -5.34 0.00 0.00 -0.06 0.00 0.00 31.44 26.26 1dox n GLU 93 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1dox n ASP 94 N -1.10 0.00 -0.07 4.31 8.00 -1.26 -4.94 116.55 121.49 1dox n ASP 94 Ca -0.14 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 1dox n ASP 94 Cb 0.60 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.57 1dox n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1dox h LEU 95 N 0.00 0.01 0.00 0.64 5.85 -1.95 -3.54 115.31 116.32 1dox h LEU 95 Ca 0.00 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1dox h LEU 95 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1dox h LEU 95 CO 0.00 1.10 0.00 0.00 -0.34 0.00 0.00 178.44 179.20