#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y s SER 2 N 0.00 5.66 0.00 6.12 0.01 -1.26 -4.31 113.70 119.92 1l7y s SER 2 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1l7y s SER 2 Cb 0.00 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.21 1l7y s SER 2 CO 0.00 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.29 1l7y n GLY 3 N 4.52 0.84 2.88 3.44 0.00 -1.26 -5.00 105.19 110.61 1l7y n GLY 3 Ca -0.15 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1l7y n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7y n GLY 4 N -1.77 5.54 3.66 -0.02 0.00 -1.26 -5.04 105.19 106.29 1l7y n GLY 4 Ca 0.00 -2.79 -0.37 0.00 0.00 0.00 0.00 46.02 42.86 1l7y n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l7y s THR 5 N -4.27 5.28 0.20 2.61 -4.23 -1.26 -4.96 115.64 109.01 1l7y s THR 5 Ca 0.48 0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1l7y s THR 5 Cb 0.26 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.54 1l7y s THR 5 CO -0.13 0.29 1.61 0.00 -0.54 0.00 0.00 174.62 175.86 1l7y h ALA 6 N 7.55 0.83 -2.49 3.99 0.00 -2.04 -3.42 119.26 123.67 1l7y h ALA 6 Ca -0.37 -0.37 -0.53 0.00 0.00 0.00 0.00 54.91 53.64 1l7y h ALA 6 Cb 1.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1l7y h ALA 6 CO 0.67 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 180.54 1l7y s ALA 7 N -4.66 3.49 -0.43 0.00 0.00 -1.26 -5.02 121.76 113.88 1l7y s ALA 7 Ca -0.10 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.49 1l7y s ALA 7 Cb 0.13 -2.59 0.02 0.00 0.00 0.00 0.00 23.12 20.68 1l7y s ALA 7 CO 0.85 0.43 1.00 0.99 0.00 0.00 0.00 175.76 179.02 1l7y s THR 8 N -1.71 4.43 -0.22 0.00 2.01 -1.26 -5.00 115.64 113.89 1l7y s THR 8 Ca 0.46 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.55 1l7y s THR 8 Cb -0.13 -4.45 0.05 0.00 0.01 0.00 0.00 72.50 67.98 1l7y s THR 8 CO 0.20 -0.77 -0.07 -0.89 -0.69 0.00 0.00 174.62 172.39 1l7y s THR 9 N 3.87 1.57 -0.04 -0.82 2.01 -1.26 -4.88 115.64 116.08 1l7y s THR 9 Ca 0.41 -1.11 0.22 0.00 0.31 0.00 0.00 61.69 61.52 1l7y s THR 9 Cb -0.10 -1.74 -0.33 0.00 0.01 0.00 0.00 72.50 70.34 1l7y s THR 9 CO 0.25 0.02 0.49 0.00 -0.69 0.00 0.00 174.62 174.69 1l7y n ALA 10 N 4.68 2.78 0.00 7.40 0.00 -1.26 -5.06 120.51 129.05 1l7y n ALA 10 Ca -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1l7y n ALA 10 Cb 0.45 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1l7y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l7y n GLY 11 N 1.27 1.06 3.37 0.00 0.00 -1.26 -5.01 105.19 104.62 1l7y n GLY 11 Ca -0.04 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 1l7y n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l7y s SER 12 N -4.00 6.51 0.05 1.61 0.01 -1.26 -5.01 113.70 111.61 1l7y s SER 12 Ca 0.00 -2.11 -0.04 0.00 1.31 0.00 0.00 55.95 55.11 1l7y s SER 12 Cb 0.00 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1l7y s SER 12 CO 0.00 -0.86 0.07 -1.59 0.41 0.00 0.00 173.24 171.27 1l7y s LYS 13 N 1.55 0.62 -0.08 12.44 -2.85 -1.26 -4.32 119.74 125.84 1l7y s LYS 13 Ca 0.18 -0.91 -0.01 0.00 -1.00 0.00 0.00 55.97 54.23 1l7y s LYS 13 Cb -0.15 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1l7y s LYS 13 CO -0.04 -0.15 -0.03 0.14 0.10 0.00 0.00 175.35 175.38 1l7y s VAL 14 N -3.10 4.08 -0.14 1.79 -7.23 0.51 -4.91 120.40 111.39 1l7y s VAL 14 Ca -0.01 -0.35 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 1l7y s VAL 14 Cb 0.02 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1l7y s VAL 14 CO -0.07 0.60 0.17 -0.89 -0.31 0.00 0.00 175.10 174.60 1l7y s THR 15 N -0.86 5.43 0.06 5.32 2.01 -1.26 -2.24 115.64 124.09 1l7y s THR 15 Ca 0.13 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.49 1l7y s THR 15 Cb -0.11 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1l7y s THR 15 CO 0.02 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.95 1l7y s PHE 16 N -0.51 2.54 -0.25 4.92 0.08 0.15 -4.19 117.98 120.72 1l7y s PHE 16 Ca 0.14 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.92 1l7y s PHE 16 Cb -0.12 -1.43 0.07 0.00 -0.57 0.00 0.00 43.02 40.97 1l7y s PHE 16 CO 0.03 0.28 -0.00 0.21 -0.10 0.00 0.00 175.22 175.64 1l7y s LYS 17 N -1.60 1.27 -0.11 0.44 2.20 -0.78 -0.94 119.74 120.23 1l7y s LYS 17 Ca 0.15 -0.97 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1l7y s LYS 17 Cb -0.10 -2.45 -0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1l7y s LYS 17 CO 0.06 -0.70 -0.14 0.42 -0.36 0.00 0.00 175.35 174.63 1l7y s ILE 18 N 1.48 3.01 0.17 5.43 1.09 -0.62 -1.29 121.20 130.47 1l7y s ILE 18 Ca -0.01 -0.69 0.08 0.00 -1.10 0.00 0.00 60.65 58.93 1l7y s ILE 18 Cb -0.18 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 38.94 1l7y s ILE 18 CO -0.10 0.54 -0.18 0.42 -0.10 0.00 0.00 174.94 175.53 1l7y s THR 19 N 0.08 1.79 -0.27 2.92 -4.23 -1.12 -0.26 115.64 114.54 1l7y s THR 19 Ca -0.06 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.23 1l7y s THR 19 Cb -0.15 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 71.85 1l7y s THR 19 CO 0.05 -0.34 1.17 -0.76 -0.54 0.00 0.00 174.62 174.19 1l7y s LEU 20 N -2.71 3.99 -0.14 4.79 1.43 -1.26 -0.75 118.68 124.02 1l7y s LEU 20 Ca 0.16 1.26 0.17 0.00 -1.03 0.00 0.00 54.13 54.69 1l7y s LEU 20 Cb -0.05 -3.54 -0.24 0.00 0.03 0.00 0.00 46.19 42.38 1l7y s LEU 20 CO 0.06 -0.89 0.27 1.07 0.23 0.00 0.00 176.35 177.10 1l7y n THR 21 N 5.80 1.38 0.05 5.49 5.66 -1.21 -4.40 114.28 127.05 1l7y n THR 21 Ca 0.13 -0.82 -0.20 0.00 -3.05 0.00 0.00 64.05 60.11 1l7y n THR 21 Cb 0.46 -0.60 -0.11 0.00 -1.55 0.00 0.00 70.33 68.54 1l7y n THR 21 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1l7y h SER 22 N 0.00 0.90 -4.00 1.09 4.64 -1.90 -3.46 113.55 110.82 1l7y h SER 22 Ca -0.44 -0.74 -0.48 0.00 -0.47 0.00 0.00 61.79 59.66 1l7y h SER 22 Cb 2.11 -0.28 0.07 0.00 -0.31 0.00 0.00 62.40 63.99 1l7y h SER 22 CO 0.04 1.54 0.28 -1.81 -0.87 0.00 0.00 176.83 176.01 1l7y s ASP 23 N -7.31 5.32 0.21 4.97 1.11 -1.26 -4.99 116.67 114.72 1l7y s ASP 23 Ca -0.10 0.80 0.07 0.00 0.18 0.00 0.00 52.55 53.50 1l7y s ASP 23 Cb 0.07 -1.63 0.13 0.00 1.07 0.00 0.00 42.92 42.55 1l7y s ASP 23 CO 0.92 -1.31 1.47 1.55 1.18 0.00 0.00 175.17 178.99 1l7y h PRO 24 N -0.46 0.09 -7.22 8.23 0.13 -1.88 -3.45 132.00 127.43 1l7y h PRO 24 Ca -0.45 -0.08 -0.48 0.00 -0.87 0.00 0.00 66.00 64.11 1l7y h PRO 24 Cb 1.27 0.02 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1l7y h PRO 24 CO 0.62 0.81 0.38 0.15 -0.23 0.00 0.00 178.00 179.73 1l7y s LYS 25 N -3.34 3.68 -0.46 0.86 3.01 -1.26 -5.03 119.74 117.21 1l7y s LYS 25 Ca -0.02 1.00 0.08 0.00 -1.01 0.00 0.00 55.97 56.02 1l7y s LYS 25 Cb 0.11 -2.09 0.25 0.00 -1.01 0.00 0.00 37.83 35.09 1l7y s LYS 25 CO 0.80 -0.50 0.59 1.28 0.51 0.00 0.00 175.35 178.03 1l7y n LEU 26 N -1.92 1.18 -4.55 3.17 4.32 -1.26 -4.36 117.00 113.56 1l7y n LEU 26 Ca 0.07 -4.91 -0.39 0.00 -0.02 0.00 0.00 56.01 50.76 1l7y n LEU 26 Cb 0.54 0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 42.59 1l7y n LEU 26 CO 0.48 2.08 1.35 -2.16 -1.22 0.00 0.00 177.39 177.92 1l7y s PRO 27 N -1.59 3.14 0.56 3.23 0.04 -1.26 -4.78 135.00 134.34 1l7y s PRO 27 Ca 0.37 -0.36 -0.21 0.00 0.04 0.00 0.00 61.00 60.84 1l7y s PRO 27 Cb 0.17 -4.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.01 1l7y s PRO 27 CO -0.08 -2.40 1.14 1.97 0.04 0.00 0.00 177.00 177.67 1l7y n PHE 28 N 10.29 1.50 -3.94 0.56 -1.74 -1.26 -4.46 117.46 118.41 1l7y n PHE 28 Ca 0.19 0.45 -0.28 0.00 -0.56 0.00 0.00 57.45 57.24 1l7y n PHE 28 Cb 0.50 -2.24 -0.17 0.00 1.52 0.00 0.00 39.48 39.09 1l7y n PHE 28 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1l7y s LYS 29 N -2.73 1.78 -0.31 3.97 2.36 0.64 -4.92 119.74 120.52 1l7y s LYS 29 Ca 0.73 -0.41 -0.13 0.00 -2.55 0.00 0.00 55.97 53.61 1l7y s LYS 29 Cb -0.44 -1.84 -0.03 0.00 -1.05 0.00 0.00 37.83 34.48 1l7y s LYS 29 CO 0.49 -0.28 0.29 0.08 1.55 0.00 0.00 175.35 177.47 1l7y s VAL 30 N 1.62 5.23 -0.33 4.02 1.01 -1.26 -1.58 120.40 129.12 1l7y s VAL 30 Ca 0.04 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1l7y s VAL 30 Cb -0.13 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.64 1l7y s VAL 30 CO -0.09 0.08 0.03 -0.76 0.00 0.00 0.00 175.10 174.36 1l7y s LEU 31 N 1.90 4.35 -0.52 3.92 1.43 -0.11 -4.92 118.68 124.71 1l7y s LEU 31 Ca 0.10 -1.73 -0.16 0.00 -1.03 0.00 0.00 54.13 51.31 1l7y s LEU 31 Cb -0.16 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.50 1l7y s LEU 31 CO 0.11 -0.34 0.48 -0.44 0.23 0.00 0.00 176.35 176.39 1l7y s SER 32 N 1.23 6.18 0.09 2.29 0.01 -1.26 -0.67 113.70 121.56 1l7y s SER 32 Ca 0.02 -1.69 0.02 0.00 1.31 0.00 0.00 55.95 55.61 1l7y s SER 32 Cb -0.20 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1l7y s SER 32 CO -0.05 -0.81 -0.07 0.68 0.41 0.00 0.00 173.24 173.40 1l7y s VAL 33 N 1.61 0.71 0.71 3.43 -7.23 -0.95 -4.95 120.40 113.73 1l7y s VAL 33 Ca 0.03 -1.77 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1l7y s VAL 33 Cb -0.29 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.19 1l7y s VAL 33 CO 0.04 -0.76 1.07 -2.16 -0.31 0.00 0.00 175.10 172.97 1l7y s PRO 34 N -3.36 2.82 0.58 4.82 0.04 -1.26 -0.36 135.00 138.28 1l7y s PRO 34 Ca 0.08 0.98 0.28 0.00 0.04 0.00 0.00 61.00 62.38 1l7y s PRO 34 Cb 0.02 -1.97 1.67 0.00 0.04 0.00 0.00 34.50 34.25 1l7y s PRO 34 CO -0.03 -1.19 2.13 1.05 0.04 0.00 0.00 177.00 179.00 1l7y h GLU 35 N -0.79 0.00 -0.87 4.56 9.09 -1.91 -1.57 114.58 123.10 1l7y h GLU 35 Ca -0.44 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.97 1l7y h GLU 35 Cb 1.21 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.27 1l7y h GLU 35 CO 0.56 0.00 0.54 1.03 0.05 0.00 0.00 179.01 181.19 1l7y h SER 36 N 0.00 1.03 -2.72 3.06 0.87 -1.93 -3.22 113.55 110.65 1l7y h SER 36 Ca 0.07 -0.06 -0.53 0.00 -1.23 0.00 0.00 61.79 60.04 1l7y h SER 36 Cb 0.37 -0.26 0.03 0.00 -0.44 0.00 0.00 62.40 62.10 1l7y h SER 36 CO -0.00 0.78 0.97 -0.89 -0.53 0.00 0.00 176.83 177.16 1l7y s THR 37 N -6.01 2.85 0.73 2.23 2.01 -0.59 -4.78 115.64 112.08 1l7y s THR 37 Ca -0.13 0.44 -0.11 0.00 0.31 0.00 0.00 61.69 62.20 1l7y s THR 37 Cb 0.16 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.42 1l7y s THR 37 CO 0.81 0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.68 1l7y s PRO 38 N 2.13 2.63 0.50 4.92 0.04 -1.26 -0.71 135.00 143.26 1l7y s PRO 38 Ca 0.73 0.60 0.34 0.00 0.04 0.00 0.00 61.00 62.71 1l7y s PRO 38 Cb -0.42 -1.98 1.58 0.00 0.04 0.00 0.00 34.50 33.72 1l7y s PRO 38 CO 0.32 -1.23 2.01 0.35 0.04 0.00 0.00 177.00 178.49 1l7y h PHE 39 N -0.80 0.00 -0.29 0.56 3.57 -1.01 -2.62 116.94 116.35 1l7y h PHE 39 Ca -0.46 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1l7y h PHE 39 Cb 1.25 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1l7y h PHE 39 CO 0.51 0.00 0.16 1.79 -2.23 0.00 0.00 178.31 178.55 1l7y h THR 40 N 0.00 1.12 -0.30 4.41 1.35 -1.80 0.14 112.91 117.83 1l7y h THR 40 Ca 0.00 -0.30 -0.18 0.00 -0.55 0.00 0.00 66.41 65.38 1l7y h THR 40 Cb 0.28 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1l7y h THR 40 CO 0.00 0.12 -0.51 0.00 -0.25 0.00 0.00 175.52 174.88 1l7y h ALA 41 N 1.04 0.53 -0.06 6.62 0.00 -1.86 -2.19 119.26 123.35 1l7y h ALA 41 Ca 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1l7y h ALA 41 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1l7y h ALA 41 CO -0.02 0.68 0.03 0.28 0.00 0.00 0.00 179.25 180.22 1l7y h VAL 42 N 0.66 1.00 -0.39 0.00 2.07 -1.24 -1.47 116.25 116.87 1l7y h VAL 42 Ca 0.03 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1l7y h VAL 42 Cb 1.10 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1l7y h VAL 42 CO 0.11 0.01 0.16 0.25 0.02 0.00 0.00 177.57 178.12 1l7y h LEU 43 N 0.06 0.49 0.36 2.57 5.85 -0.72 -1.91 115.31 122.01 1l7y h LEU 43 Ca 0.02 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1l7y h LEU 43 Cb 0.00 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.91 1l7y h LEU 43 CO -0.02 0.45 -0.17 0.11 -0.34 0.00 0.00 178.44 178.47 1l7y h LYS 44 N 0.54 -0.47 -0.87 1.25 1.57 -0.71 0.14 116.57 118.02 1l7y h LYS 44 Ca 0.13 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 1l7y h LYS 44 Cb 0.11 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1l7y h LYS 44 CO -0.01 -0.24 0.56 0.74 -0.57 0.00 0.00 179.45 179.93 1l7y h PHE 45 N -0.60 1.06 -0.07 -1.35 0.04 -1.06 0.21 116.94 115.17 1l7y h PHE 45 Ca -0.05 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1l7y h PHE 45 Cb 0.44 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 1l7y h PHE 45 CO -0.02 0.60 0.02 0.00 -0.60 0.00 0.00 178.31 178.31 1l7y h ALA 46 N 1.36 0.10 -0.29 2.45 0.00 -1.18 -2.64 119.26 119.06 1l7y h ALA 46 Ca 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1l7y h ALA 46 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1l7y h ALA 46 CO -0.12 -0.28 0.19 0.00 0.00 0.00 0.00 179.25 179.04 1l7y h ALA 47 N 0.81 1.80 -0.56 0.00 0.00 -0.31 -1.45 119.26 119.53 1l7y h ALA 47 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1l7y h ALA 47 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1l7y h ALA 47 CO 0.00 0.19 0.36 0.93 0.00 0.00 0.00 179.25 180.73 1l7y h GLU 48 N 0.39 0.75 -0.36 0.00 3.07 -0.61 0.16 114.58 117.99 1l7y h GLU 48 Ca 0.11 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.74 1l7y h GLU 48 Cb -0.04 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 1l7y h GLU 48 CO -0.02 0.52 -0.43 1.49 -1.40 0.00 0.00 179.01 179.16 1l7y h GLU 49 N 0.76 0.92 0.00 2.33 4.22 -1.14 -2.83 114.58 118.84 1l7y h GLU 49 Ca 0.20 -0.51 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1l7y h GLU 49 Cb -0.06 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1l7y h GLU 49 CO -0.04 1.16 0.00 1.19 -2.18 0.00 0.00 179.01 179.14 1l7y n PHE 50 N -4.04 0.18 -3.21 0.92 3.72 -0.62 -4.90 117.46 109.51 1l7y n PHE 50 Ca -0.03 0.06 -0.16 0.00 -0.05 0.00 0.00 57.45 57.28 1l7y n PHE 50 Cb 0.57 -0.60 0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.66 -5.20 -4.21 -1.08 5.02 0.48 -5.03 118.16 106.48 1l7y n LYS 51 Ca 0.04 0.54 -0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1l7y n LYS 51 Cb 0.24 -4.72 -0.10 0.00 -0.02 0.00 0.00 35.03 30.43 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 -3.21 0.93 -0.10 -0.18 -7.23 -0.62 -5.04 120.40 104.95 1l7y s VAL 52 Ca 0.37 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 1l7y s VAL 52 Cb -0.16 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1l7y s VAL 52 CO 0.48 -0.80 1.20 -2.16 -0.31 0.00 0.00 175.10 173.50 1l7y s PRO 53 N -3.75 4.32 0.24 4.82 0.04 -1.26 -4.38 135.00 135.02 1l7y s PRO 53 Ca 0.14 1.64 0.09 0.00 0.04 0.00 0.00 61.00 62.91 1l7y s PRO 53 Cb 0.04 -3.62 0.23 0.00 0.04 0.00 0.00 34.50 31.19 1l7y s PRO 53 CO -0.02 -0.52 1.54 0.00 0.04 0.00 0.00 177.00 178.04 1l7y h ALA 54 N 7.65 0.83 -0.93 8.56 0.00 -1.90 -2.98 119.26 130.49 1l7y h ALA 54 Ca -0.31 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 53.97 1l7y h ALA 54 Cb 1.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1l7y h ALA 54 CO 0.91 0.85 0.57 0.00 0.00 0.00 0.00 179.25 181.58 1l7y h ALA 55 N 1.27 1.26 -0.75 0.00 0.00 -1.97 -2.58 119.26 116.49 1l7y h ALA 55 Ca -0.01 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.33 1l7y h ALA 55 Cb 1.23 -0.38 -0.27 0.00 0.00 0.00 0.00 17.79 18.38 1l7y h ALA 55 CO 0.09 0.65 0.22 0.25 0.00 0.00 0.00 179.25 180.46 1l7y n THR 56 N -4.36 3.01 -4.13 0.00 -2.24 -1.20 -4.97 114.28 100.38 1l7y n THR 56 Ca 0.10 -2.92 -0.15 0.00 -2.27 0.00 0.00 64.05 58.81 1l7y n THR 56 Cb 0.05 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.40 1l7y n THR 56 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1l7y s SER 57 N -2.28 0.96 0.40 3.42 0.15 -0.97 -1.83 113.70 113.56 1l7y s SER 57 Ca 0.54 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.84 1l7y s SER 57 Cb 0.45 -0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.68 1l7y s SER 57 CO 0.03 -0.10 0.07 0.00 1.20 0.00 0.00 173.24 174.43 1l7y s ALA 58 N -0.99 3.31 -0.22 5.45 0.00 0.16 -4.85 121.76 124.62 1l7y s ALA 58 Ca -0.05 -2.19 0.02 0.00 0.00 0.00 0.00 51.96 49.74 1l7y s ALA 58 Cb -0.08 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1l7y s ALA 58 CO 0.00 -0.11 -0.11 0.42 0.00 0.00 0.00 175.76 175.97 1l7y s ILE 59 N -2.64 1.88 0.51 0.00 -1.09 -0.93 -1.94 121.20 116.98 1l7y s ILE 59 Ca 0.37 -1.26 0.06 0.00 -2.23 0.00 0.00 60.65 57.59 1l7y s ILE 59 Cb 0.06 -1.96 0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1l7y s ILE 59 CO 0.20 0.11 0.70 0.27 -1.23 0.00 0.00 174.94 174.98 1l7y s ILE 60 N 1.27 2.66 0.41 2.92 -4.36 -0.20 0.59 121.20 124.50 1l7y s ILE 60 Ca -0.04 -0.90 0.08 0.00 -0.26 0.00 0.00 60.65 59.53 1l7y s ILE 60 Cb -0.18 -2.76 -0.02 0.00 1.25 0.00 0.00 42.46 40.76 1l7y s ILE 60 CO -0.07 0.00 0.38 0.42 0.24 0.00 0.00 174.94 175.91 1l7y s THR 61 N -2.57 2.74 0.41 8.37 -4.23 -0.16 0.89 115.64 121.09 1l7y s THR 61 Ca 0.58 -1.33 0.26 0.00 -1.18 0.00 0.00 61.69 60.02 1l7y s THR 61 Cb -0.09 -3.01 0.28 0.00 1.34 0.00 0.00 72.50 71.02 1l7y s THR 61 CO 0.36 -0.01 2.05 0.78 -0.54 0.00 0.00 174.62 177.26 1l7y h ASN 62 N 1.02 0.00 0.00 3.99 4.21 -1.83 -3.03 115.58 119.95 1l7y h ASN 62 Ca -0.42 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.09 1l7y h ASN 62 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 1l7y h ASN 62 CO 0.57 0.13 -0.00 0.44 -1.29 0.00 0.00 177.43 177.28 1l7y h ASP 63 N 0.00 -0.00 0.00 5.81 3.32 -1.94 -3.48 116.42 120.12 1l7y h ASP 63 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1l7y h ASP 63 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1l7y h ASP 63 CO 0.02 0.95 0.00 0.61 -1.72 0.00 0.00 179.24 179.10 1l7y n GLY 64 N 1.52 -0.13 2.97 2.75 0.00 -1.14 -5.15 105.19 106.01 1l7y n GLY 64 Ca -0.10 -0.03 -0.29 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 1.34 -1.12 1.61 1.01 -1.26 -4.89 120.40 117.09 1l7y s VAL 65 Ca 0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1l7y s VAL 65 Cb 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1l7y s VAL 65 CO 0.00 0.39 1.68 -0.83 0.00 0.00 0.00 175.10 176.34 1l7y s GLY 66 N 1.58 1.09 0.23 4.51 0.00 -1.26 -0.99 107.32 112.48 1l7y s GLY 66 Ca 0.04 -2.36 -0.30 0.00 0.00 0.00 0.00 44.72 42.10 1l7y s GLY 66 CO -0.09 2.93 1.11 0.14 0.00 0.00 0.00 173.10 177.18 1l7y s VAL 67 N 6.24 3.63 0.22 1.40 1.01 0.20 -4.90 120.40 128.20 1l7y s VAL 67 Ca 0.55 1.53 0.06 0.00 0.00 0.00 0.00 61.98 64.12 1l7y s VAL 67 Cb 0.00 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1l7y s VAL 67 CO 0.00 0.32 0.21 0.20 0.00 0.00 0.00 175.10 175.83 1l7y s ASN 68 N -0.51 5.68 -1.36 3.32 -0.87 -1.26 -2.20 114.94 117.73 1l7y s ASN 68 Ca 0.47 -0.15 -0.14 0.00 -1.57 0.00 0.00 52.86 51.47 1l7y s ASN 68 Cb -0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.25 39.39 1l7y s ASN 68 CO 0.38 -0.01 2.35 -0.81 -2.57 0.00 0.00 177.10 176.44 1l7y n PRO 69 N -0.97 2.79 0.00 -0.60 -0.04 -1.26 -4.06 135.00 130.86 1l7y n PRO 69 Ca -0.08 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1l7y n PRO 69 Cb 0.57 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 5.60 2.17 -1.56 0.55 0.00 -1.26 -4.11 120.51 121.91 1l7y n ALA 70 Ca 0.57 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 1l7y n ALA 70 Cb 0.34 0.18 0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.46 2.81 0.67 0.00 -0.21 -1.26 -4.69 119.66 115.52 1l7y s GLN 71 Ca 0.00 0.92 -0.11 0.00 0.02 0.00 0.00 55.36 56.19 1l7y s GLN 71 Cb 0.00 -1.98 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 1l7y s GLN 71 CO 0.00 -1.18 1.05 -1.25 -2.12 0.00 0.00 175.29 171.79 1l7y s PRO 72 N -5.05 3.21 0.29 2.91 0.04 -1.26 -0.44 135.00 134.69 1l7y s PRO 72 Ca 0.58 0.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1l7y s PRO 72 Cb -0.14 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.83 1l7y s PRO 72 CO 0.55 -0.87 1.91 0.00 0.04 0.00 0.00 177.00 178.63 1l7y h ALA 73 N -0.55 1.45 -0.67 8.56 0.00 -0.92 -0.76 119.26 126.37 1l7y h ALA 73 Ca -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1l7y h ALA 73 Cb 1.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1l7y h ALA 73 CO 0.60 0.43 0.42 0.78 0.00 0.00 0.00 179.25 181.48 1l7y h GLY 74 N 1.12 0.96 1.20 0.00 0.00 -1.81 -0.84 103.07 103.70 1l7y h GLY 74 Ca 0.39 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 1l7y h GLY 74 CO -0.14 0.38 -0.50 -0.57 0.00 0.00 0.00 176.54 175.70 1l7y h ASN 75 N 0.91 0.93 -0.38 0.19 -1.24 -1.71 -1.46 115.58 112.81 1l7y h ASN 75 Ca 0.24 -0.48 -0.01 0.00 0.71 0.00 0.00 56.30 56.76 1l7y h ASN 75 Cb -0.05 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.71 1l7y h ASN 75 CO -0.05 1.27 0.19 0.40 -1.29 0.00 0.00 177.43 177.95 1l7y h ILE 76 N 0.66 1.17 -0.42 2.57 1.08 -0.85 0.63 117.51 122.35 1l7y h ILE 76 Ca 0.03 -0.46 -0.11 0.00 -0.39 0.00 0.00 64.86 63.92 1l7y h ILE 76 Cb 1.10 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 1l7y h ILE 76 CO 0.11 0.18 -0.20 0.15 -0.69 0.00 0.00 178.15 177.70 1l7y h PHE 77 N 0.48 0.92 -0.43 1.37 3.57 -1.15 -0.75 116.94 120.96 1l7y h PHE 77 Ca 0.13 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 1l7y h PHE 77 Cb 0.10 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1l7y h PHE 77 CO -0.02 0.94 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.80 1l7y h LEU 78 N 0.72 0.78 0.20 0.59 -0.00 -0.92 -1.63 115.31 115.05 1l7y h LEU 78 Ca 0.10 -0.25 -0.01 0.00 -0.00 0.00 0.00 57.88 57.73 1l7y h LEU 78 Cb 0.72 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1l7y h LEU 78 CO 0.06 0.93 -0.09 0.50 -0.00 0.00 0.00 178.44 179.83 1l7y h LYS 79 N 0.71 -0.25 0.00 1.13 3.64 -0.69 -3.44 116.57 117.67 1l7y h LYS 79 Ca 0.12 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1l7y h LYS 79 Cb 0.62 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1l7y h LYS 79 CO 0.04 -0.02 -0.91 0.72 -2.27 0.00 0.00 179.45 177.02 1l7y n HIS 80 N -4.94 0.00 0.00 1.91 8.25 -0.32 -5.10 115.22 115.01 1l7y n HIS 80 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1l7y n HIS 80 Cb 0.18 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 2.31 1.37 0.30 -1.41 0.00 -0.61 -4.59 105.19 102.56 1l7y n GLY 81 Ca -0.14 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 44.90 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 1.66 -4.51 1.61 3.41 -1.26 -4.37 113.62 110.16 1l7y n SER 82 Ca 0.00 -1.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 1l7y n SER 82 Cb 0.00 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.63 3.37 0.20 4.33 8.01 -1.26 -1.86 118.70 130.86 1l7y s GLU 83 Ca 0.09 -0.96 0.01 0.00 0.01 0.00 0.00 54.97 54.12 1l7y s GLU 83 Cb 0.06 -4.69 -0.05 0.00 -4.31 0.00 0.00 34.13 25.15 1l7y s GLU 83 CO 0.09 -2.01 0.06 -0.51 0.01 0.00 0.00 175.26 172.90 1l7y s LEU 84 N 4.47 1.78 -0.03 1.80 1.43 -0.41 -3.67 118.68 124.05 1l7y s LEU 84 Ca 0.35 -1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.00 1l7y s LEU 84 Cb -0.07 0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.26 1l7y s LEU 84 CO 0.02 -0.68 0.36 -0.13 0.23 0.00 0.00 176.35 176.14 1l7y s ARG 85 N -4.01 0.71 -0.18 1.70 0.52 0.26 -2.79 118.95 115.16 1l7y s ARG 85 Ca 0.31 -0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.33 1l7y s ARG 85 Cb 0.07 0.32 -0.05 0.00 0.52 0.00 0.00 34.95 35.81 1l7y s ARG 85 CO 0.08 -0.20 0.11 -1.17 0.02 0.00 0.00 175.30 174.14 1l7y s LEU 86 N -1.23 4.12 -0.05 2.53 0.20 0.07 -1.03 118.68 123.29 1l7y s LEU 86 Ca -0.13 0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.90 1l7y s LEU 86 Cb -0.04 -2.05 0.03 0.00 -0.43 0.00 0.00 46.19 43.70 1l7y s LEU 86 CO 0.05 0.22 0.12 -0.51 -0.29 0.00 0.00 176.35 175.94 1l7y s ILE 87 N 0.09 -0.04 0.12 6.68 2.07 -0.82 -3.30 121.20 126.00 1l7y s ILE 87 Ca 0.08 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.17 1l7y s ILE 87 Cb -0.11 -0.19 -0.07 0.00 0.13 0.00 0.00 42.46 42.22 1l7y s ILE 87 CO -0.00 0.06 1.14 -2.16 -1.91 0.00 0.00 174.94 172.06 1l7y s PRO 88 N 0.95 4.52 -0.08 3.50 0.04 -1.26 -0.66 135.00 142.01 1l7y s PRO 88 Ca -0.07 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1l7y s PRO 88 Cb -0.10 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 1l7y s PRO 88 CO -0.04 -0.07 1.16 1.03 0.04 0.00 0.00 177.00 179.12 1l7y s ARG 89 N 0.29 4.35 -0.18 4.56 0.52 -0.76 -4.84 118.95 122.89 1l7y s ARG 89 Ca 0.53 1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 57.30 1l7y s ARG 89 Cb -0.29 -3.57 -0.22 0.00 0.52 0.00 0.00 34.95 31.39 1l7y s ARG 89 CO 0.32 -0.45 0.12 -3.47 0.02 0.00 0.00 175.30 171.85 1l7y n ASP 90 N 5.29 2.05 -4.90 0.23 2.03 -1.07 -4.90 116.55 115.28 1l7y n ASP 90 Ca 0.11 0.12 -0.21 0.00 0.52 0.00 0.00 54.79 55.33 1l7y n ASP 90 Cb 0.47 -0.73 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 1l7y n ASP 90 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1l7y s ARG 91 N -2.53 2.50 -0.20 -0.67 1.81 -0.55 -5.00 118.95 114.31 1l7y s ARG 91 Ca -0.28 -1.59 -0.28 0.00 -1.72 0.00 0.00 55.73 51.85 1l7y s ARG 91 Cb 0.08 -2.38 -0.05 0.00 -0.45 0.00 0.00 34.95 32.15 1l7y s ARG 91 CO 0.68 -0.30 2.09 0.08 -0.68 0.00 0.00 175.30 177.17 1l7y s VAL 92 N -2.52 3.12 -0.03 3.52 1.01 -1.26 -1.92 120.40 122.32 1l7y s VAL 92 Ca 0.48 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.58 1l7y s VAL 92 Cb -0.04 -3.15 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 1l7y s VAL 92 CO 0.28 -0.08 0.03 0.61 0.00 0.00 0.00 175.10 175.93 1l7y n GLY 93 N 5.49 0.49 3.02 4.51 0.00 -1.26 -5.23 105.19 112.21 1l7y n GLY 93 Ca 0.27 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89