#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y n SER 2 N 0.00 2.28 0.00 3.17 2.88 -1.26 -5.04 113.62 115.66 1l7y n SER 2 Ca 0.00 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1l7y n SER 2 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1l7y n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1l7y n GLY 3 N 2.39 2.10 3.15 0.46 0.00 -1.26 -4.71 105.19 107.32 1l7y n GLY 3 Ca -0.37 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 1l7y n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l7y s GLY 4 N 0.00 2.41 -0.33 -0.02 0.00 -1.26 -5.05 107.32 103.06 1l7y s GLY 4 Ca 0.00 -3.09 -0.18 0.00 0.00 0.00 0.00 44.72 41.45 1l7y s GLY 4 CO 0.00 1.12 0.53 -1.59 0.00 0.00 0.00 173.10 173.15 1l7y s THR 5 N 0.31 5.01 -0.09 0.90 2.01 -1.26 -5.05 115.64 117.48 1l7y s THR 5 Ca 0.14 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.43 1l7y s THR 5 Cb -0.20 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1l7y s THR 5 CO -0.04 -0.16 0.56 0.00 -0.69 0.00 0.00 174.62 174.30 1l7y s ALA 6 N 2.41 3.43 -0.13 7.40 0.00 -1.26 -5.03 121.76 128.57 1l7y s ALA 6 Ca 0.20 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.80 1l7y s ALA 6 Cb -0.15 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1l7y s ALA 6 CO 0.13 -0.02 1.14 0.00 0.00 0.00 0.00 175.76 177.01 1l7y s ALA 7 N 0.60 3.57 -0.25 0.00 0.00 -1.26 -5.00 121.76 119.42 1l7y s ALA 7 Ca 0.30 0.43 -0.20 0.00 0.00 0.00 0.00 51.96 52.49 1l7y s ALA 7 Cb -0.16 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 1l7y s ALA 7 CO 0.14 -0.91 0.63 0.99 0.00 0.00 0.00 175.76 176.61 1l7y s THR 8 N 2.75 4.99 -0.20 0.00 2.01 -1.26 -5.04 115.64 118.89 1l7y s THR 8 Ca 0.51 1.14 -0.19 0.00 0.31 0.00 0.00 61.69 63.47 1l7y s THR 8 Cb -0.20 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 1l7y s THR 8 CO 0.16 0.03 0.54 -0.89 -0.69 0.00 0.00 174.62 173.77 1l7y s THR 9 N 2.46 5.08 -0.08 -0.82 2.01 -1.26 -4.97 115.64 118.06 1l7y s THR 9 Ca 0.26 1.00 -0.26 0.00 0.31 0.00 0.00 61.69 63.00 1l7y s THR 9 Cb -0.16 -3.86 -0.25 0.00 0.01 0.00 0.00 72.50 68.24 1l7y s THR 9 CO 0.09 0.16 0.92 0.00 -0.69 0.00 0.00 174.62 175.09 1l7y h ALA 10 N 7.50 0.00 -0.48 7.40 0.00 -2.06 -3.45 119.26 128.16 1l7y h ALA 10 Ca -0.33 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 1l7y h ALA 10 Cb 1.15 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1l7y h ALA 10 CO 0.75 0.07 -0.26 0.20 0.00 0.00 0.00 179.25 180.00 1l7y s GLY 11 N -4.06 -1.68 -0.20 0.00 0.00 -1.26 -5.14 107.32 94.99 1l7y s GLY 11 Ca -0.17 0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.62 1l7y s GLY 11 CO 0.73 4.08 0.46 -1.35 0.00 0.00 0.00 173.10 177.02 1l7y s SER 12 N 0.96 6.51 0.10 1.64 1.04 -1.26 -5.07 113.70 117.62 1l7y s SER 12 Ca 0.26 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.32 1l7y s SER 12 Cb 0.08 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 1l7y s SER 12 CO -0.09 -0.13 -0.08 -0.54 0.98 0.00 0.00 173.24 173.38 1l7y s LYS 13 N 1.49 0.84 -0.07 4.02 1.02 -1.26 -3.95 119.74 121.83 1l7y s LYS 13 Ca 0.22 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.97 1l7y s LYS 13 Cb -0.15 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 1l7y s LYS 13 CO 0.09 0.02 -0.12 0.14 -0.92 0.00 0.00 175.35 174.57 1l7y s VAL 14 N -3.11 3.25 0.03 3.17 -7.23 0.34 -4.93 120.40 111.92 1l7y s VAL 14 Ca 0.09 -0.64 -0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1l7y s VAL 14 Cb 0.02 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1l7y s VAL 14 CO -0.02 0.58 0.21 0.42 -0.31 0.00 0.00 175.10 175.97 1l7y s THR 15 N -0.54 5.40 -0.00 5.32 -4.23 -1.26 -2.42 115.64 117.91 1l7y s THR 15 Ca 0.07 -0.28 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1l7y s THR 15 Cb -0.12 -3.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 1l7y s THR 15 CO 0.02 0.21 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.86 1l7y s PHE 16 N -1.44 0.77 -0.34 3.99 0.08 -0.19 -4.29 117.98 116.57 1l7y s PHE 16 Ca 0.32 -0.17 0.02 0.00 0.12 0.00 0.00 56.93 57.22 1l7y s PHE 16 Cb -0.13 -0.49 0.09 0.00 -0.57 0.00 0.00 43.02 41.93 1l7y s PHE 16 CO 0.24 -0.01 0.06 0.15 -0.10 0.00 0.00 175.22 175.55 1l7y s LYS 17 N -0.31 1.75 -0.23 0.44 3.01 0.84 -0.52 119.74 124.73 1l7y s LYS 17 Ca 0.03 -1.75 -0.12 0.00 -1.01 0.00 0.00 55.97 53.11 1l7y s LYS 17 Cb -0.04 -3.24 -0.05 0.00 -1.01 0.00 0.00 37.83 33.50 1l7y s LYS 17 CO -0.00 -0.89 0.24 0.42 0.51 0.00 0.00 175.35 175.62 1l7y s ILE 18 N 1.00 5.30 -0.12 2.17 1.09 -0.17 -0.65 121.20 129.83 1l7y s ILE 18 Ca 0.07 0.36 0.02 0.00 -1.10 0.00 0.00 60.65 59.99 1l7y s ILE 18 Cb -0.20 -3.58 0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1l7y s ILE 18 CO -0.06 0.31 -0.18 -0.89 -0.10 0.00 0.00 174.94 174.02 1l7y s THR 19 N 1.15 1.75 0.30 2.92 2.01 -0.73 -0.80 115.64 122.24 1l7y s THR 19 Ca 0.11 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 1l7y s THR 19 Cb -0.14 -1.57 -0.13 0.00 0.01 0.00 0.00 72.50 70.67 1l7y s THR 19 CO 0.06 0.49 1.34 -0.11 -0.69 0.00 0.00 174.62 175.70 1l7y n LEU 20 N 4.14 3.38 -0.16 4.42 0.00 -1.26 -0.67 117.00 126.84 1l7y n LEU 20 Ca -0.19 1.18 -0.08 0.00 0.00 0.00 0.00 56.01 56.91 1l7y n LEU 20 Cb 0.51 -1.46 0.00 0.00 0.00 0.00 0.00 43.42 42.47 1l7y n LEU 20 CO 0.25 -0.48 0.97 0.71 0.00 0.00 0.00 177.39 178.84 1l7y h THR 21 N 2.75 1.19 -0.41 1.96 1.35 -1.63 -2.91 112.91 115.20 1l7y h THR 21 Ca -0.46 -0.54 -0.05 0.00 -0.55 0.00 0.00 66.41 64.81 1l7y h THR 21 Cb 1.28 0.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1l7y h THR 21 CO 0.68 0.21 0.06 0.28 -0.25 0.00 0.00 175.52 176.50 1l7y h SER 22 N 0.59 0.66 -4.30 5.36 0.02 -1.90 -3.43 113.55 110.55 1l7y h SER 22 Ca 0.16 -0.26 -0.51 0.00 -0.84 0.00 0.00 61.79 60.33 1l7y h SER 22 Cb 0.13 -0.18 0.12 0.00 0.14 0.00 0.00 62.40 62.62 1l7y h SER 22 CO -0.02 0.76 0.33 -1.81 -1.14 0.00 0.00 176.83 174.95 1l7y s ASP 23 N -6.10 4.71 0.79 3.07 1.11 -1.10 -5.06 116.67 114.09 1l7y s ASP 23 Ca -0.13 1.71 0.00 0.00 0.18 0.00 0.00 52.55 54.31 1l7y s ASP 23 Cb 0.10 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.63 1l7y s ASP 23 CO 0.78 -1.89 0.00 -0.81 1.18 0.00 0.00 175.17 174.44 1l7y n PRO 24 N -3.42 -0.07 0.08 8.23 -0.04 -1.26 -4.69 135.00 133.82 1l7y n PRO 24 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1l7y n PRO 24 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 1l7y n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1l7y h LYS 25 N 0.00 0.00 0.06 0.54 1.57 -1.97 -3.37 116.57 113.40 1l7y h LYS 25 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1l7y h LYS 25 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1l7y h LYS 25 CO 0.00 0.45 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.89 1l7y h LEU 26 N 0.00 -1.11 -8.74 2.94 3.38 -2.01 -3.37 115.31 106.40 1l7y h LEU 26 Ca -0.08 0.13 -0.56 0.00 0.09 0.00 0.00 57.88 57.46 1l7y h LEU 26 Cb 1.52 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 42.63 1l7y h LEU 26 CO 0.06 -0.44 0.92 -2.16 0.09 0.00 0.00 178.44 176.91 1l7y s PRO 27 N -5.95 3.75 0.09 1.13 0.04 -1.26 -5.01 135.00 127.79 1l7y s PRO 27 Ca -0.16 0.60 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 1l7y s PRO 27 Cb 0.08 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1l7y s PRO 27 CO 0.64 -1.34 0.21 -0.59 0.04 0.00 0.00 177.00 175.95 1l7y s PHE 28 N 4.39 0.12 -0.07 0.56 -0.12 -1.26 -4.49 117.98 117.11 1l7y s PHE 28 Ca 0.48 -0.53 0.02 0.00 -0.05 0.00 0.00 56.93 56.84 1l7y s PHE 28 Cb -0.07 -0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.26 1l7y s PHE 28 CO 0.30 -0.55 -0.11 0.15 -0.05 0.00 0.00 175.22 174.97 1l7y s LYS 29 N -3.81 2.73 -0.19 1.99 3.01 0.02 -4.96 119.74 118.53 1l7y s LYS 29 Ca 0.04 -0.62 -0.05 0.00 -1.01 0.00 0.00 55.97 54.33 1l7y s LYS 29 Cb 0.04 -2.51 -0.03 0.00 -1.01 0.00 0.00 37.83 34.32 1l7y s LYS 29 CO -0.11 0.59 0.01 0.08 0.51 0.00 0.00 175.35 176.43 1l7y s VAL 30 N -0.62 4.09 -0.24 3.17 1.01 -1.26 -1.00 120.40 125.54 1l7y s VAL 30 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1l7y s VAL 30 Cb -0.11 -2.84 0.04 0.00 0.00 0.00 0.00 36.38 33.46 1l7y s VAL 30 CO 0.01 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.70 1l7y s LEU 31 N 0.82 3.12 -0.36 3.92 1.43 0.32 -4.95 118.68 122.99 1l7y s LEU 31 Ca 0.01 -1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 1l7y s LEU 31 Cb -0.14 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.50 1l7y s LEU 31 CO 0.02 -0.13 0.19 -0.44 0.23 0.00 0.00 176.35 176.21 1l7y s SER 32 N 1.24 5.65 0.05 2.29 0.01 -1.26 -1.02 113.70 120.67 1l7y s SER 32 Ca -0.02 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.29 1l7y s SER 32 Cb -0.17 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 1l7y s SER 32 CO -0.06 -0.35 -0.01 0.68 0.41 0.00 0.00 173.24 173.92 1l7y s VAL 33 N 1.55 0.20 0.71 3.43 -7.23 -1.01 -5.00 120.40 113.04 1l7y s VAL 33 Ca 0.02 -1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1l7y s VAL 33 Cb -0.19 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.45 1l7y s VAL 33 CO 0.06 -0.89 1.07 -2.16 -0.31 0.00 0.00 175.10 172.87 1l7y s PRO 34 N -3.54 2.80 0.54 4.82 0.04 -1.26 -0.51 135.00 137.90 1l7y s PRO 34 Ca 0.03 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.15 1l7y s PRO 34 Cb 0.05 -1.98 1.45 0.00 0.04 0.00 0.00 34.50 34.06 1l7y s PRO 34 CO -0.09 -1.17 2.15 0.93 0.04 0.00 0.00 177.00 178.86 1l7y h GLU 35 N -0.77 0.00 -0.86 4.56 3.07 -1.92 -1.77 114.58 116.89 1l7y h GLU 35 Ca -0.45 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.39 1l7y h GLU 35 Cb 1.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.09 1l7y h GLU 35 CO 0.58 0.00 0.45 0.77 -1.40 0.00 0.00 179.01 179.41 1l7y h SER 36 N 0.00 1.09 -2.63 1.42 0.02 -1.92 -3.27 113.55 108.26 1l7y h SER 36 Ca 0.05 -0.11 -0.53 0.00 -0.84 0.00 0.00 61.79 60.35 1l7y h SER 36 Cb 0.20 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.48 1l7y h SER 36 CO -0.00 0.89 1.04 -0.89 -1.14 0.00 0.00 176.83 176.73 1l7y s THR 37 N -5.80 2.99 0.73 -2.27 2.01 -0.67 -4.78 115.64 107.86 1l7y s THR 37 Ca -0.13 0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.15 1l7y s THR 37 Cb 0.16 -3.25 0.03 0.00 0.01 0.00 0.00 72.50 69.45 1l7y s THR 37 CO 0.83 -0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.68 1l7y s PRO 38 N 2.87 2.63 0.40 4.92 0.04 -1.26 -1.31 135.00 143.29 1l7y s PRO 38 Ca 0.76 0.58 0.28 0.00 0.04 0.00 0.00 61.00 62.66 1l7y s PRO 38 Cb -0.41 -1.99 1.33 0.00 0.04 0.00 0.00 34.50 33.48 1l7y s PRO 38 CO 0.33 -1.22 1.85 0.35 0.04 0.00 0.00 177.00 178.35 1l7y h PHE 39 N -0.80 0.00 -0.33 0.56 3.57 -1.08 -2.64 116.94 116.22 1l7y h PHE 39 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1l7y h PHE 39 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1l7y h PHE 39 CO 0.51 0.00 0.21 1.79 -2.23 0.00 0.00 178.31 178.58 1l7y h THR 40 N 0.00 1.10 -0.08 4.41 1.35 -1.79 0.26 112.91 118.16 1l7y h THR 40 Ca 0.00 -0.21 -0.23 0.00 -0.55 0.00 0.00 66.41 65.42 1l7y h THR 40 Cb 0.24 0.65 0.01 0.00 -1.73 0.00 0.00 68.15 67.32 1l7y h THR 40 CO 0.00 0.10 -0.88 0.00 -0.25 0.00 0.00 175.52 174.49 1l7y h ALA 41 N 1.10 0.30 -0.33 6.62 0.00 -1.86 -1.96 119.26 123.12 1l7y h ALA 41 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1l7y h ALA 41 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1l7y h ALA 41 CO -0.02 0.71 0.21 0.28 0.00 0.00 0.00 179.25 180.43 1l7y h VAL 42 N 0.42 1.10 -0.47 0.00 2.07 -1.27 -1.16 116.25 116.95 1l7y h VAL 42 Ca -0.08 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1l7y h VAL 42 Cb 1.51 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1l7y h VAL 42 CO 0.17 0.10 -0.15 0.25 0.02 0.00 0.00 177.57 177.96 1l7y h LEU 43 N 0.44 0.90 -0.54 2.57 6.46 -0.52 -0.80 115.31 123.82 1l7y h LEU 43 Ca 0.12 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1l7y h LEU 43 Cb -0.02 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.64 1l7y h LEU 43 CO -0.02 1.05 0.35 0.11 -0.62 0.00 0.00 178.44 179.30 1l7y h LYS 44 N 0.79 0.72 -0.22 1.25 1.57 -0.96 -0.08 116.57 119.64 1l7y h LYS 44 Ca 0.12 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 1l7y h LYS 44 Cb 0.69 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1l7y h LYS 44 CO 0.05 0.49 -0.59 0.74 -0.57 0.00 0.00 179.45 179.57 1l7y h PHE 45 N 0.73 1.03 -0.03 -1.35 0.04 -1.09 -1.74 116.94 114.53 1l7y h PHE 45 Ca 0.20 -0.40 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 1l7y h PHE 45 Cb -0.06 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 1l7y h PHE 45 CO -0.03 1.22 0.02 0.00 -0.60 0.00 0.00 178.31 178.91 1l7y h ALA 46 N 0.61 0.04 -0.57 2.45 0.00 -0.90 0.32 119.26 121.22 1l7y h ALA 46 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1l7y h ALA 46 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1l7y h ALA 46 CO 0.13 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 179.04 1l7y h ALA 47 N 0.93 0.76 -0.54 0.00 0.00 -1.07 -2.28 119.26 117.07 1l7y h ALA 47 Ca 0.01 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1l7y h ALA 47 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1l7y h ALA 47 CO -0.00 0.53 -0.11 0.93 0.00 0.00 0.00 179.25 180.60 1l7y h GLU 48 N 0.86 1.02 -0.26 0.00 4.39 -1.15 -1.72 114.58 117.72 1l7y h GLU 48 Ca 0.17 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 1l7y h GLU 48 Cb 0.44 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1l7y h GLU 48 CO 0.01 1.07 -0.06 0.93 -1.16 0.00 0.00 179.01 179.80 1l7y h GLU 49 N 0.89 0.41 0.00 2.33 5.08 -0.19 -3.37 114.58 119.73 1l7y h GLU 49 Ca 0.14 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1l7y h GLU 49 Cb 0.68 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1l7y h GLU 49 CO 0.05 0.49 0.00 1.19 -1.00 0.00 0.00 179.01 179.74 1l7y n PHE 50 N -4.27 0.00 0.00 4.33 3.72 -0.87 -5.01 117.46 115.35 1l7y n PHE 50 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1l7y n PHE 50 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1l7y n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1l7y n LYS 51 N -0.39 0.00 -3.97 -1.08 5.02 -0.96 -5.11 118.16 111.67 1l7y n LYS 51 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1l7y n LYS 51 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1l7y s VAL 52 N 0.00 0.15 -0.02 -0.18 -7.23 -0.69 -5.05 120.40 107.38 1l7y s VAL 52 Ca 0.00 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.65 1l7y s VAL 52 Cb 0.00 -0.92 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1l7y s VAL 52 CO 0.00 -0.68 1.09 -2.16 -0.31 0.00 0.00 175.10 173.05 1l7y s PRO 53 N -2.71 4.45 0.40 4.82 0.04 -1.26 -3.50 135.00 137.25 1l7y s PRO 53 Ca -0.04 1.56 0.17 0.00 0.04 0.00 0.00 61.00 62.73 1l7y s PRO 53 Cb -0.01 -3.47 0.86 0.00 0.04 0.00 0.00 34.50 31.93 1l7y s PRO 53 CO -0.05 -0.24 1.85 0.00 0.04 0.00 0.00 177.00 178.60 1l7y h ALA 54 N 7.00 1.26 -0.86 8.56 0.00 -1.87 -2.93 119.26 130.43 1l7y h ALA 54 Ca -0.38 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.31 1l7y h ALA 54 Cb 1.19 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1l7y h ALA 54 CO 0.81 0.40 0.56 0.00 0.00 0.00 0.00 179.25 181.02 1l7y h ALA 55 N 1.68 1.59 -1.30 0.00 0.00 -1.97 -2.84 119.26 116.43 1l7y h ALA 55 Ca -0.00 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 1l7y h ALA 55 Cb 0.65 -0.24 -0.42 0.00 0.00 0.00 0.00 17.79 17.78 1l7y h ALA 55 CO 0.04 0.27 -0.77 0.25 0.00 0.00 0.00 179.25 179.04 1l7y n THR 56 N -4.50 2.35 -3.94 0.00 -2.24 -1.12 -4.47 114.28 100.36 1l7y n THR 56 Ca 0.13 -4.67 -0.09 0.00 -2.27 0.00 0.00 64.05 57.16 1l7y n THR 56 Cb 0.23 -1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 67.24 1l7y n THR 56 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1l7y s SER 57 N -3.54 0.23 0.24 3.42 0.01 -1.03 -3.53 113.70 109.50 1l7y s SER 57 Ca 0.48 -0.67 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1l7y s SER 57 Cb 0.40 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 1l7y s SER 57 CO -0.12 -0.59 0.12 0.00 0.41 0.00 0.00 173.24 173.06 1l7y s ALA 58 N -3.26 1.54 -0.14 1.44 0.00 -0.25 -4.75 121.76 116.34 1l7y s ALA 58 Ca 0.01 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.17 1l7y s ALA 58 Cb 0.03 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.39 1l7y s ALA 58 CO -0.08 -0.52 -0.09 0.42 0.00 0.00 0.00 175.76 175.49 1l7y s ILE 59 N -3.89 1.26 0.52 0.00 1.01 -1.04 -1.32 121.20 117.74 1l7y s ILE 59 Ca 0.38 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1l7y s ILE 59 Cb 0.07 -1.28 0.04 0.00 0.01 0.00 0.00 42.46 41.30 1l7y s ILE 59 CO 0.14 0.32 0.71 0.27 0.00 0.00 0.00 174.94 176.38 1l7y s ILE 60 N 1.60 2.64 0.15 2.92 -4.36 0.35 0.13 121.20 124.63 1l7y s ILE 60 Ca 0.03 -0.88 0.04 0.00 -0.26 0.00 0.00 60.65 59.59 1l7y s ILE 60 Cb -0.14 -2.76 -0.04 0.00 1.25 0.00 0.00 42.46 40.77 1l7y s ILE 60 CO -0.09 0.00 0.20 -0.89 0.24 0.00 0.00 174.94 174.40 1l7y s THR 61 N -2.60 4.88 0.60 8.37 2.01 0.47 0.66 115.64 130.03 1l7y s THR 61 Ca 0.58 -0.88 0.30 0.00 0.31 0.00 0.00 61.69 62.00 1l7y s THR 61 Cb -0.09 -3.49 0.36 0.00 0.01 0.00 0.00 72.50 69.29 1l7y s THR 61 CO 0.37 -0.09 2.08 0.78 -0.69 0.00 0.00 174.62 177.07 1l7y h ASN 62 N 2.34 0.00 0.04 3.53 4.21 -1.86 -2.06 115.58 121.78 1l7y h ASN 62 Ca -0.48 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 56.98 1l7y h ASN 62 Cb 1.20 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.40 1l7y h ASN 62 CO 0.66 0.00 -0.24 -0.78 -1.29 0.00 0.00 177.43 175.78 1l7y h ASP 63 N 0.00 0.15 0.00 5.81 3.58 -1.94 -3.48 116.42 120.54 1l7y h ASP 63 Ca 0.08 -0.95 0.00 0.00 0.42 0.00 0.00 57.03 56.58 1l7y h ASP 63 Cb 0.54 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1l7y h ASP 63 CO -0.00 1.09 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 1l7y n GLY 64 N 1.53 -0.25 2.87 -0.78 0.00 -0.77 -5.15 105.19 102.64 1l7y n GLY 64 Ca -0.11 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 1l7y n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l7y s VAL 65 N 0.00 0.89 -1.06 1.61 1.01 -1.25 -4.89 120.40 116.71 1l7y s VAL 65 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1l7y s VAL 65 Cb 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 1l7y s VAL 65 CO 0.00 0.32 1.75 -0.83 0.00 0.00 0.00 175.10 176.34 1l7y s GLY 66 N 1.76 0.77 0.08 4.51 0.00 -1.26 -0.39 107.32 112.79 1l7y s GLY 66 Ca 0.05 -2.11 -0.31 0.00 0.00 0.00 0.00 44.72 42.35 1l7y s GLY 66 CO -0.08 3.12 1.32 0.14 0.00 0.00 0.00 173.10 177.60 1l7y s VAL 67 N 7.63 3.62 0.29 1.40 1.01 0.12 -4.92 120.40 129.55 1l7y s VAL 67 Ca 0.59 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.80 1l7y s VAL 67 Cb -0.02 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1l7y s VAL 67 CO 0.00 0.08 0.16 0.20 0.00 0.00 0.00 175.10 175.54 1l7y s ASN 68 N 1.19 5.08 -1.36 3.32 0.01 -1.26 -2.49 114.94 119.43 1l7y s ASN 68 Ca 0.62 -0.49 -0.13 0.00 -0.71 0.00 0.00 52.86 52.15 1l7y s ASN 68 Cb -0.33 -1.06 -0.04 0.00 0.41 0.00 0.00 41.25 40.23 1l7y s ASN 68 CO 0.29 -0.14 2.41 -0.81 -1.51 0.00 0.00 177.10 177.34 1l7y n PRO 69 N -1.14 2.85 0.00 -0.60 -0.04 -1.26 -4.01 135.00 130.80 1l7y n PRO 69 Ca -0.05 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1l7y n PRO 69 Cb 0.59 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1l7y n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l7y n ALA 70 N 5.28 1.94 -2.03 0.55 0.00 -1.26 -4.23 120.51 120.76 1l7y n ALA 70 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 1l7y n ALA 70 Cb 0.31 0.16 0.01 0.00 0.00 0.00 0.00 19.45 19.93 1l7y n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1l7y s GLN 71 N -1.33 3.58 0.63 0.00 1.11 -1.26 -4.79 119.66 117.60 1l7y s GLN 71 Ca 0.00 0.52 -0.12 0.00 0.01 0.00 0.00 55.36 55.77 1l7y s GLN 71 Cb 0.00 -2.20 -0.03 0.00 -1.01 0.00 0.00 33.01 29.77 1l7y s GLN 71 CO 0.00 -0.42 1.04 -1.25 0.01 0.00 0.00 175.29 174.67 1l7y s PRO 72 N -5.00 3.34 0.28 2.91 0.04 -1.26 -0.56 135.00 134.76 1l7y s PRO 72 Ca 0.52 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1l7y s PRO 72 Cb -0.11 -2.04 0.53 0.00 0.04 0.00 0.00 34.50 32.92 1l7y s PRO 72 CO 0.50 -0.78 1.85 0.00 0.04 0.00 0.00 177.00 178.62 1l7y h ALA 73 N -0.21 1.50 -0.32 8.56 0.00 -1.25 -0.13 119.26 127.41 1l7y h ALA 73 Ca -0.45 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1l7y h ALA 73 Cb 1.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1l7y h ALA 73 CO 0.59 0.28 0.21 0.78 0.00 0.00 0.00 179.25 181.11 1l7y h GLY 74 N 1.04 0.45 1.28 0.00 0.00 -1.82 -1.15 103.07 102.87 1l7y h GLY 74 Ca 0.47 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.51 1l7y h GLY 74 CO -0.23 0.16 -0.30 -0.57 0.00 0.00 0.00 176.54 175.59 1l7y h ASN 75 N 0.43 0.84 -0.61 0.19 -0.73 -1.70 -1.26 115.58 112.72 1l7y h ASN 75 Ca 0.12 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 1l7y h ASN 75 Cb -0.04 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.29 1l7y h ASN 75 CO -0.03 1.08 0.36 0.40 -0.37 0.00 0.00 177.43 178.86 1l7y h ILE 76 N 0.68 1.19 -0.14 2.57 1.08 -0.71 1.00 117.51 123.18 1l7y h ILE 76 Ca 0.08 -0.44 -0.17 0.00 -0.39 0.00 0.00 64.86 63.93 1l7y h ILE 76 Cb 0.85 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1l7y h ILE 76 CO 0.07 0.20 -0.62 0.15 -0.69 0.00 0.00 178.15 177.26 1l7y h PHE 77 N 0.83 0.64 -0.30 1.37 3.04 -1.13 0.78 116.94 122.17 1l7y h PHE 77 Ca 0.22 -0.25 -0.14 0.00 3.98 0.00 0.00 57.97 61.78 1l7y h PHE 77 Cb 0.01 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1l7y h PHE 77 CO -0.01 0.98 -0.40 -0.07 -2.02 0.00 0.00 178.31 176.79 1l7y h LEU 78 N 0.36 0.77 0.00 0.59 -0.00 -0.82 -2.18 115.31 114.03 1l7y h LEU 78 Ca -0.01 -0.35 -0.10 0.00 -0.00 0.00 0.00 57.88 57.43 1l7y h LEU 78 Cb 1.17 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.60 1l7y h LEU 78 CO 0.11 1.07 -0.60 0.50 -0.00 0.00 0.00 178.44 179.52 1l7y h LYS 79 N 0.59 0.00 0.00 1.13 3.64 -0.80 -3.44 116.57 117.69 1l7y h LYS 79 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1l7y h LYS 79 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1l7y h LYS 79 CO 0.09 0.74 -0.90 0.72 -2.27 0.00 0.00 179.45 177.83 1l7y n HIS 80 N -4.56 0.13 0.00 1.91 8.25 0.17 -5.09 115.22 116.04 1l7y n HIS 80 Ca -0.18 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1l7y n HIS 80 Cb 0.48 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1l7y n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1l7y n GLY 81 N 1.48 0.20 0.36 -1.41 0.00 -0.64 -4.81 105.19 100.38 1l7y n GLY 81 Ca -0.13 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.49 1l7y n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1l7y n SER 82 N 0.00 2.15 -4.59 1.61 3.41 -1.26 -4.18 113.62 110.76 1l7y n SER 82 Ca 0.00 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 1l7y n SER 82 Cb 0.00 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1l7y n SER 82 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1l7y s GLU 83 N -2.14 2.85 0.17 4.33 8.01 -1.26 -0.11 118.70 130.56 1l7y s GLU 83 Ca -0.10 1.83 -0.01 0.00 0.01 0.00 0.00 54.97 56.70 1l7y s GLU 83 Cb 0.03 -4.42 -0.04 0.00 -4.31 0.00 0.00 34.13 25.38 1l7y s GLU 83 CO 0.15 -2.42 0.08 -0.51 0.01 0.00 0.00 175.26 172.57 1l7y s LEU 84 N 9.32 1.54 0.12 1.80 1.43 0.18 -3.81 118.68 129.26 1l7y s LEU 84 Ca 0.99 -1.29 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1l7y s LEU 84 Cb -0.28 0.28 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 1l7y s LEU 84 CO 0.32 -0.76 -0.18 -0.13 0.23 0.00 0.00 176.35 175.84 1l7y s ARG 85 N -4.08 1.11 -0.19 1.70 0.52 0.21 -1.77 118.95 116.45 1l7y s ARG 85 Ca 0.31 -1.23 -0.07 0.00 -0.52 0.00 0.00 55.73 54.23 1l7y s ARG 85 Cb 0.07 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.30 1l7y s ARG 85 CO 0.07 0.26 0.06 -1.17 0.02 0.00 0.00 175.30 174.54 1l7y s LEU 86 N -2.22 3.76 -0.04 2.53 0.20 0.15 -0.50 118.68 122.56 1l7y s LEU 86 Ca 0.09 0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.98 1l7y s LEU 86 Cb -0.08 -1.95 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1l7y s LEU 86 CO 0.04 0.16 -0.11 -0.51 -0.29 0.00 0.00 176.35 175.65 1l7y s ILE 87 N 0.45 0.94 -1.20 6.68 2.07 -0.43 -1.51 121.20 128.20 1l7y s ILE 87 Ca 0.03 -0.43 -0.17 0.00 -1.41 0.00 0.00 60.65 58.67 1l7y s ILE 87 Cb -0.13 -0.84 -0.04 0.00 0.13 0.00 0.00 42.46 41.58 1l7y s ILE 87 CO 0.01 0.29 2.13 -0.81 -1.91 0.00 0.00 174.94 174.65 1l7y n PRO 88 N 3.40 2.36 -3.16 3.50 -0.04 -1.26 -1.09 135.00 138.70 1l7y n PRO 88 Ca -0.19 -2.30 -0.41 0.00 -0.04 0.00 0.00 63.50 60.55 1l7y n PRO 88 Cb 0.53 -3.13 -0.07 0.00 -0.04 0.00 0.00 33.50 30.79 1l7y n PRO 88 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1l7y s ARG 89 N 3.84 3.69 0.16 0.54 3.52 -1.25 -4.89 118.95 124.55 1l7y s ARG 89 Ca 0.51 0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.81 1l7y s ARG 89 Cb 0.14 -3.80 -0.07 0.00 -1.56 0.00 0.00 34.95 29.66 1l7y s ARG 89 CO -0.01 -0.67 1.16 0.34 -0.81 0.00 0.00 175.30 175.30 1l7y s ASP 90 N 1.76 7.15 -0.51 -2.12 2.15 -1.23 -2.46 116.67 121.41 1l7y s ASP 90 Ca 0.22 2.13 -0.28 0.00 0.43 0.00 0.00 52.55 55.05 1l7y s ASP 90 Cb -0.15 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 39.88 1l7y s ASP 90 CO 0.14 -0.33 1.39 -0.13 -0.17 0.00 0.00 175.17 176.06 1l7y s ARG 91 N -0.04 3.43 0.00 4.34 3.00 -1.26 -4.93 118.95 123.49 1l7y s ARG 91 Ca 0.53 0.61 0.00 0.00 0.00 0.00 0.00 55.73 56.86 1l7y s ARG 91 Cb -0.31 -4.07 0.00 0.00 0.00 0.00 0.00 34.95 30.57 1l7y s ARG 91 CO 0.35 -1.77 0.00 0.28 0.00 0.00 0.00 175.30 174.15 1l7y n VAL 92 N 6.93 0.00 -0.02 3.52 0.31 -1.26 -4.92 118.33 122.88 1l7y n VAL 92 Ca 0.14 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1l7y n VAL 92 Cb 0.49 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.29 1l7y n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7y n GLY 93 N 4.37 -1.04 0.32 2.92 0.00 -1.26 -5.27 105.19 105.23 1l7y n GLY 93 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.06 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89