#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1y h THR 23 N 0.00 1.12 -3.70 3.34 2.02 -1.97 -3.47 112.91 110.25 2c1y h THR 23 Ca 0.00 -2.61 -0.07 0.00 0.77 0.00 0.00 66.41 64.50 2c1y h THR 23 Cb 0.00 2.55 -0.11 0.00 -1.74 0.00 0.00 68.15 68.84 2c1y h THR 23 CO 0.00 0.64 -0.19 0.00 0.37 0.00 0.00 175.52 176.34 2c1y s THR 25 N -3.95 3.29 0.00 0.00 2.01 -1.26 -3.05 115.64 112.68 2c1y s THR 25 Ca 0.16 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2c1y s THR 25 Cb 0.01 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2c1y s THR 25 CO 0.01 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 2c1y n GLY 26 N 2.69 1.40 3.63 4.40 0.00 -1.26 -4.48 105.19 111.58 2c1y n GLY 26 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2c1y n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1y s VAL 28 N 2.26 4.28 -0.20 0.00 -7.23 0.13 -3.88 120.40 115.76 2c1y s VAL 28 Ca 0.24 1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 62.20 2c1y s VAL 28 Cb -0.16 -4.22 -0.04 0.00 0.56 0.00 0.00 36.38 32.53 2c1y s VAL 28 CO 0.09 0.50 0.07 -0.62 -0.31 0.00 0.00 175.10 174.82 2c1y s ASP 29 N -1.04 5.49 0.35 4.85 2.15 -1.26 -0.81 116.67 126.39 2c1y s ASP 29 Ca 0.38 -0.01 0.09 0.00 0.43 0.00 0.00 52.55 53.45 2c1y s ASP 29 Cb -0.24 -1.95 -0.06 0.00 -0.30 0.00 0.00 42.92 40.37 2c1y s ASP 29 CO 0.28 0.11 -0.03 -0.76 -0.17 0.00 0.00 175.17 174.61 2c1y s LEU 30 N 0.75 2.88 0.34 -1.34 1.43 -0.64 -4.96 118.68 117.13 2c1y s LEU 30 Ca 0.03 -1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 51.97 2c1y s LEU 30 Cb -0.13 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.92 2c1y s LEU 30 CO 0.02 -0.25 0.51 1.51 0.23 0.00 0.00 176.35 178.37 2c1y s ASP 31 N -3.68 0.67 0.29 2.29 -4.77 -1.26 -4.58 116.67 105.63 2c1y s ASP 31 Ca 0.34 -1.38 0.00 0.00 -3.30 0.00 0.00 52.55 48.22 2c1y s ASP 31 Cb 0.02 0.68 0.51 0.00 -1.09 0.00 0.00 42.92 43.03 2c1y s ASP 31 CO 0.18 -1.33 1.90 1.05 0.70 0.00 0.00 175.17 177.67 2c1y h GLU 32 N 2.12 1.03 -0.31 2.11 -0.00 -1.99 0.17 114.58 117.70 2c1y h GLU 32 Ca -0.29 -0.06 -0.11 0.00 -0.00 0.00 0.00 59.36 58.90 2c1y h GLU 32 Cb 1.24 -0.23 -0.01 0.00 -0.00 0.00 0.00 28.75 29.75 2c1y h GLU 32 CO 0.39 0.68 -0.27 -0.07 -0.00 0.00 0.00 179.01 179.74 2c1y h LEU 33 N 1.06 0.64 0.00 3.06 3.38 -2.04 -3.36 115.31 118.05 2c1y h LEU 33 Ca 0.41 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2c1y h LEU 33 Cb 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2c1y h LEU 33 CO -0.17 0.89 -1.05 -1.54 0.09 0.00 0.00 178.44 176.66 2c1y n SER 34 N -4.10 0.92 0.16 -0.43 3.41 -0.62 -4.76 113.62 108.20 2c1y n SER 34 Ca -0.00 -0.59 -0.17 0.00 -0.26 0.00 0.00 58.87 57.84 2c1y n SER 34 Cb 0.44 1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 65.52 2c1y n SER 34 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2c1y h PHE 35 N 0.00 -1.47 0.03 7.33 3.57 -0.85 -2.02 116.94 123.52 2c1y h PHE 35 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2c1y h PHE 35 Cb 0.48 0.61 0.00 0.00 2.79 0.00 0.00 35.95 39.84 2c1y h PHE 35 CO 0.00 -0.61 -0.01 1.49 -2.23 0.00 0.00 178.31 176.94 2c1y h GLU 36 N -0.81 -0.04 -0.79 1.11 4.81 -1.85 -1.99 114.58 115.02 2c1y h GLU 36 Ca -0.02 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 2c1y h GLU 36 Cb 0.78 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 2c1y h GLU 36 CO -0.23 0.12 0.54 0.87 -0.73 0.00 0.00 179.01 179.58 2c1y h LYS 37 N -0.20 0.24 0.00 1.92 6.56 -1.86 -2.22 116.57 121.02 2c1y h LYS 37 Ca -0.00 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 2c1y h LYS 37 Cb 0.18 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2c1y h LYS 37 CO 0.01 0.16 -0.37 1.15 -2.06 0.00 0.00 179.45 178.34 2c1y h THR 38 N 0.25 1.43 -0.51 -0.16 2.02 -1.09 -2.92 112.91 111.94 2c1y h THR 38 Ca 0.39 -2.21 0.09 0.00 0.77 0.00 0.00 66.41 65.45 2c1y h THR 38 Cb 1.16 2.85 -0.03 0.00 -1.74 0.00 0.00 68.15 70.39 2c1y h THR 38 CO -0.09 0.49 0.35 0.58 0.37 0.00 0.00 175.52 177.21 2c1y h VAL 39 N -1.00 0.89 0.00 3.16 2.07 -1.37 0.76 116.25 120.76 2c1y h VAL 39 Ca -0.10 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2c1y h VAL 39 Cb 1.03 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2c1y h VAL 39 CO -0.06 0.05 -0.40 -0.62 0.02 0.00 0.00 177.57 176.57 2c1y n GLU 40 N -4.46 0.23 0.06 1.57 1.02 -0.84 -2.83 120.64 115.39 2c1y n GLU 40 Ca 0.08 0.11 0.13 0.00 -0.02 0.00 0.00 57.16 57.45 2c1y n GLU 40 Cb 0.36 -1.68 0.49 0.00 -0.02 0.00 0.00 31.44 30.59 2c1y n GLU 40 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2c1y n ARG 41 N -2.04 0.13 -4.50 3.49 5.12 0.26 -4.86 116.66 114.25 2c1y n ARG 41 Ca 0.04 0.15 -0.32 0.00 -1.93 0.00 0.00 57.85 55.79 2c1y n ARG 41 Cb 0.42 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 29.94 2c1y n ARG 41 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2c1y s PHE 42 N -3.07 2.82 0.25 -1.55 0.40 -1.13 -5.01 117.98 110.69 2c1y s PHE 42 Ca 0.11 -0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 2c1y s PHE 42 Cb 0.15 -1.58 0.44 0.00 0.51 0.00 0.00 43.02 42.54 2c1y s PHE 42 CO 0.53 0.35 1.78 -1.35 0.70 0.00 0.00 175.22 177.22 2c1y h PRO 43 N 4.55 0.64 -3.49 0.24 0.11 -1.86 -3.34 132.00 128.85 2c1y h PRO 43 Ca -0.48 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2c1y h PRO 43 Cb 1.17 -0.14 -0.15 0.00 0.11 0.00 0.00 31.00 31.98 2c1y h PRO 43 CO 0.53 0.42 -0.24 0.71 -0.21 0.00 0.00 178.00 179.21 2c1y s TYR 44 N -6.01 -0.05 -0.16 0.65 2.02 -1.20 -3.36 117.35 109.23 2c1y s TYR 44 Ca -0.12 -0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.20 2c1y s TYR 44 Cb 0.20 0.09 0.04 0.00 -0.40 0.00 0.00 41.96 41.89 2c1y s TYR 44 CO 0.78 -0.57 0.43 -1.12 -1.57 0.00 0.00 175.55 173.50 2c1y s SER 45 N -2.51 -0.45 -0.10 2.29 0.01 -0.86 -1.71 113.70 110.37 2c1y s SER 45 Ca 0.00 0.88 0.01 0.00 1.31 0.00 0.00 55.95 58.15 2c1y s SER 45 Cb 0.02 0.89 -0.02 0.00 0.21 0.00 0.00 66.02 67.11 2c1y s SER 45 CO -0.08 -0.15 -0.13 -0.69 0.41 0.00 0.00 173.24 172.60 2c1y s VAL 46 N 0.24 3.11 -0.04 3.43 1.01 0.53 -1.61 120.40 127.07 2c1y s VAL 46 Ca -0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2c1y s VAL 46 Cb -0.03 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2c1y s VAL 46 CO 0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 175.10 174.79 2c1y s VAL 47 N -0.09 1.44 -0.22 2.92 1.01 -0.32 -1.08 120.40 124.07 2c1y s VAL 47 Ca -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2c1y s VAL 47 Cb -0.14 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2c1y s VAL 47 CO 0.04 0.42 -0.05 -0.75 0.00 0.00 0.00 175.10 174.75 2c1y s LYS 48 N 0.02 3.37 0.01 2.72 2.20 -0.76 -0.92 119.74 126.38 2c1y s LYS 48 Ca -0.04 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 2c1y s LYS 48 Cb -0.11 -2.99 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2c1y s LYS 48 CO 0.02 -0.19 0.71 -0.06 -0.36 0.00 0.00 175.35 175.48 2c1y s PHE 49 N 1.45 3.70 0.19 4.03 0.40 0.15 -1.90 117.98 125.99 2c1y s PHE 49 Ca 0.05 1.37 -0.07 0.00 -0.60 0.00 0.00 56.93 57.69 2c1y s PHE 49 Cb -0.14 -2.77 0.03 0.00 0.51 0.00 0.00 43.02 40.65 2c1y s PHE 49 CO -0.03 0.26 0.37 -3.47 0.70 0.00 0.00 175.22 173.05 2c1y n ASP 50 N 2.95 -1.08 -4.57 1.36 -0.08 -0.83 -0.79 116.55 113.51 2c1y n ASP 50 Ca -0.03 -1.75 -0.29 0.00 -1.51 0.00 0.00 54.79 51.21 2c1y n ASP 50 Cb 0.51 1.80 0.21 0.00 2.34 0.00 0.00 41.12 45.98 2c1y n ASP 50 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2c1y s ILE 51 N -2.58 2.11 0.62 5.18 -4.36 -1.26 -1.18 121.20 119.73 2c1y s ILE 51 Ca 0.07 0.03 -0.16 0.00 -0.26 0.00 0.00 60.65 60.34 2c1y s ILE 51 Cb -0.02 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 2c1y s ILE 51 CO 0.06 -0.05 1.11 0.00 0.24 0.00 0.00 174.94 176.30 2c1y s ALA 52 N -2.58 2.56 -1.14 2.27 0.00 -1.24 -4.13 121.76 117.50 2c1y s ALA 52 Ca 0.67 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 2c1y s ALA 52 Cb -0.23 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2c1y s ALA 52 CO 0.62 -1.08 0.83 0.66 0.00 0.00 0.00 175.76 176.79 2c1y n TYR 53 N -2.07 -2.13 -1.41 0.00 4.02 -1.26 -4.98 117.16 109.33 2c1y n TYR 53 Ca 0.10 0.71 -0.31 0.00 -0.01 0.00 0.00 57.90 58.40 2c1y n TYR 53 Cb 0.52 -3.98 0.08 0.00 -0.02 0.00 0.00 39.34 35.94 2c1y n TYR 53 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2c1y s PRO 54 N -5.35 2.45 0.06 -0.72 0.04 -1.26 -5.06 135.00 125.15 2c1y s PRO 54 Ca 0.35 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.23 2c1y s PRO 54 Cb -0.08 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2c1y s PRO 54 CO 0.80 -1.46 0.35 0.21 0.04 0.00 0.00 177.00 176.94 2c1y s LYS 55 N -4.99 0.88 0.00 4.56 2.20 -1.26 -5.02 119.74 116.11 2c1y s LYS 55 Ca 0.60 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2c1y s LYS 55 Cb -0.16 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 2c1y s LYS 55 CO 0.55 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 2c1y n GLY 56 N 0.42 -1.39 0.30 5.54 0.00 -1.26 -4.56 105.19 104.23 2c1y n GLY 56 Ca -0.18 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 2c1y n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c1y h GLU 57 N 1.15 1.03 -0.02 1.61 5.08 -1.99 -0.15 114.58 121.30 2c1y h GLU 57 Ca 0.00 -0.24 -0.24 0.00 -1.00 0.00 0.00 59.36 57.87 2c1y h GLU 57 Cb 0.00 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.12 2c1y h GLU 57 CO 0.00 0.93 -0.96 0.87 -1.00 0.00 0.00 179.01 178.84 2c1y h LYS 58 N 0.96 0.57 -0.49 2.33 1.57 -1.86 -2.23 116.57 117.43 2c1y h LYS 58 Ca 0.20 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.37 2c1y h LYS 58 Cb 0.35 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2c1y h LYS 58 CO 0.00 1.21 0.24 1.25 -0.57 0.00 0.00 179.45 181.58 2c1y h HIS 59 N 0.33 0.70 -0.47 -1.35 2.76 -1.66 -2.47 115.15 112.99 2c1y h HIS 59 Ca -0.10 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.98 2c1y h HIS 59 Cb 1.60 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.32 2c1y h HIS 59 CO 0.08 0.55 0.03 0.93 -1.30 0.00 0.00 177.93 178.22 2c1y h GLU 60 N 0.65 0.75 -0.41 5.26 3.07 -1.00 -1.42 114.58 121.49 2c1y h GLU 60 Ca 0.17 -0.18 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2c1y h GLU 60 Cb 0.11 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2c1y h GLU 60 CO -0.02 0.74 -0.09 0.00 -1.40 0.00 0.00 179.01 178.24 2c1y h ALA 61 N 1.32 1.08 -0.05 3.43 0.00 -1.29 -2.23 119.26 121.52 2c1y h ALA 61 Ca 0.15 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2c1y h ALA 61 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2c1y h ALA 61 CO 0.01 0.57 -0.75 0.35 0.00 0.00 0.00 179.25 179.43 2c1y h PHE 62 N 0.65 0.40 -0.33 0.00 3.57 -1.00 0.43 116.94 120.66 2c1y h PHE 62 Ca 0.12 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.46 2c1y h PHE 62 Cb 0.54 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2c1y h PHE 62 CO 0.02 0.93 0.13 1.15 -2.23 0.00 0.00 178.31 178.32 2c1y h THR 63 N 0.19 0.93 -0.69 4.41 2.02 -1.19 0.50 112.91 119.08 2c1y h THR 63 Ca -0.03 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 2c1y h THR 63 Cb 1.32 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 2c1y h THR 63 CO 0.12 0.05 0.20 0.00 0.37 0.00 0.00 175.52 176.26 2c1y h ALA 64 N 1.20 1.05 0.69 6.16 0.00 -1.37 -2.33 119.26 124.65 2c1y h ALA 64 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2c1y h ALA 64 Cb 0.10 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2c1y h ALA 64 CO -0.13 0.64 -0.33 0.35 0.00 0.00 0.00 179.25 179.77 2c1y h PHE 65 N 1.02 -0.86 -0.79 0.00 3.57 -0.62 -1.97 116.94 117.29 2c1y h PHE 65 Ca 0.22 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.86 2c1y h PHE 65 Cb 0.31 0.29 -0.15 0.00 2.79 0.00 0.00 35.95 39.19 2c1y h PHE 65 CO 0.02 -0.54 -0.19 1.03 -2.23 0.00 0.00 178.31 176.41 2c1y h SER 66 N -0.93 -0.72 0.59 0.41 0.87 0.06 0.13 113.55 113.96 2c1y h SER 66 Ca -0.09 0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 2c1y h SER 66 Cb 0.71 0.49 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2c1y h SER 66 CO 0.15 -0.26 -0.52 0.11 -0.53 0.00 0.00 176.83 175.78 2c1y h LYS 67 N 0.00 0.00 0.00 2.24 1.57 -1.37 -1.35 116.57 117.66 2c1y h LYS 67 Ca 0.38 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.91 2c1y h LYS 67 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2c1y h LYS 67 CO -0.81 0.52 -1.36 1.03 -0.57 0.00 0.00 179.45 178.26 2c1y h SER 68 N 0.00 0.00 -0.46 0.86 0.87 -0.63 -2.68 113.55 111.51 2c1y h SER 68 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2c1y h SER 68 Cb 0.95 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 2c1y h SER 68 CO 0.07 0.98 0.23 0.00 -0.53 0.00 0.00 176.83 177.58 2c1y h ALA 69 N 1.02 0.59 -0.89 6.23 0.00 -0.72 -2.89 119.26 122.59 2c1y h ALA 69 Ca -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2c1y h ALA 69 Cb 1.88 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2c1y h ALA 69 CO 0.10 0.13 0.53 0.45 0.00 0.00 0.00 179.25 180.46 2c1y h HIS 70 N 0.59 1.18 -0.12 0.00 -0.00 -1.31 0.00 115.15 115.50 2c1y h HIS 70 Ca 0.16 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.44 2c1y h HIS 70 Cb 0.09 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 2c1y h HIS 70 CO -0.01 0.79 -0.28 -0.22 -0.00 0.00 0.00 177.93 178.21 2c1y h LYS 71 N 1.23 0.22 0.08 2.45 3.64 -1.45 -3.29 116.57 119.45 2c1y h LYS 71 Ca 0.32 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 59.31 2c1y h LYS 71 Cb -0.04 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2c1y h LYS 71 CO -0.06 0.48 -1.74 0.00 -2.27 0.00 0.00 179.45 175.87 2c1y h ALA 72 N 1.52 0.49 -3.88 5.00 0.00 -1.24 -3.49 119.26 117.67 2c1y h ALA 72 Ca 0.03 -1.32 -0.39 0.00 0.00 0.00 0.00 54.91 53.23 2c1y h ALA 72 Cb 0.60 0.49 -0.27 0.00 0.00 0.00 0.00 17.79 18.61 2c1y h ALA 72 CO 0.04 1.35 -0.78 -0.08 0.00 0.00 0.00 179.25 179.78 2c1y s THR 73 N -2.59 0.77 0.12 0.00 -1.32 -0.05 -5.03 115.64 107.55 2c1y s THR 73 Ca -0.12 -0.59 0.08 0.00 -1.21 0.00 0.00 61.69 59.85 2c1y s THR 73 Cb 0.07 -0.68 -0.18 0.00 -1.51 0.00 0.00 72.50 70.20 2c1y s THR 73 CO 0.82 0.09 1.32 0.11 -2.21 0.00 0.00 174.62 174.75 2c1y h LYS 74 N 5.55 0.00 -0.45 7.08 6.56 -1.88 -3.42 116.57 130.02 2c1y h LYS 74 Ca -0.33 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 2c1y h LYS 74 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2c1y h LYS 74 CO 0.47 0.94 0.00 -0.25 -2.06 0.00 0.00 179.45 178.55 2c1y n ASP 75 N -3.39 3.24 -4.37 0.86 8.00 -1.26 -4.94 116.55 114.69 2c1y n ASP 75 Ca -0.00 -1.95 -0.30 0.00 0.71 0.00 0.00 54.79 53.25 2c1y n ASP 75 Cb 0.90 -0.30 -0.14 0.00 -0.02 0.00 0.00 41.12 41.56 2c1y n ASP 75 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2c1y s LEU 76 N -1.06 2.27 -0.13 0.64 2.96 -1.26 -3.26 118.68 118.85 2c1y s LEU 76 Ca 0.32 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2c1y s LEU 76 Cb 0.17 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 2c1y s LEU 76 CO 0.23 0.24 0.07 -0.22 -1.32 0.00 0.00 176.35 175.35 2c1y s LEU 77 N -1.48 3.96 -0.27 -0.68 0.20 -0.69 -4.97 118.68 114.74 2c1y s LEU 77 Ca 0.13 0.25 -0.05 0.00 0.69 0.00 0.00 54.13 55.15 2c1y s LEU 77 Cb -0.10 -1.96 0.01 0.00 -0.43 0.00 0.00 46.19 43.71 2c1y s LEU 77 CO 0.04 0.34 0.03 -0.63 -0.29 0.00 0.00 176.35 175.83 2c1y s ILE 78 N -0.60 3.62 0.18 6.68 -1.09 -1.26 -0.34 121.20 128.39 2c1y s ILE 78 Ca 0.11 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 2c1y s ILE 78 Cb -0.12 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 2c1y s ILE 78 CO 0.02 0.16 -0.02 0.00 -1.23 0.00 0.00 174.94 173.87 2c1y s ALA 79 N 1.45 1.50 0.05 9.38 0.00 -0.24 0.22 121.76 134.12 2c1y s ALA 79 Ca 0.02 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.38 2c1y s ALA 79 Cb -0.17 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 2c1y s ALA 79 CO 0.00 -0.26 -0.07 0.95 0.00 0.00 0.00 175.76 176.38 2c1y s THR 80 N -3.53 0.49 -0.04 0.00 -4.23 0.01 -1.83 115.64 106.51 2c1y s THR 80 Ca 0.24 -1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 59.57 2c1y s THR 80 Cb 0.05 -0.69 0.03 0.00 1.34 0.00 0.00 72.50 73.23 2c1y s THR 80 CO 0.05 -0.46 0.08 -0.69 -0.54 0.00 0.00 174.62 173.05 2c1y s VAL 81 N -1.67 -0.10 -0.20 2.29 1.01 -0.80 -1.63 120.40 119.30 2c1y s VAL 81 Ca -0.08 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2c1y s VAL 81 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 2c1y s VAL 81 CO -0.01 0.13 0.05 -0.83 0.00 0.00 0.00 175.10 174.44 2c1y s GLY 82 N 1.64 1.82 -0.19 4.51 0.00 -1.26 -1.95 107.32 111.89 2c1y s GLY 82 Ca -0.03 -0.89 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 2c1y s GLY 82 CO -0.04 0.20 -0.05 0.14 0.00 0.00 0.00 173.10 173.36 2c1y s VAL 83 N 0.81 3.57 -0.09 1.40 1.01 -0.33 -4.62 120.40 122.15 2c1y s VAL 83 Ca 0.03 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2c1y s VAL 83 Cb -0.14 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2c1y s VAL 83 CO 0.02 0.46 0.25 -0.54 0.00 0.00 0.00 175.10 175.29 2c1y s LYS 84 N 0.92 3.73 -0.63 2.72 3.01 -0.38 -3.68 119.74 125.43 2c1y s LYS 84 Ca -0.00 0.07 -0.01 0.00 -1.01 0.00 0.00 55.97 55.02 2c1y s LYS 84 Cb -0.15 -3.24 0.44 0.00 -1.01 0.00 0.00 37.83 33.88 2c1y s LYS 84 CO 0.01 0.66 1.91 -0.40 0.51 0.00 0.00 175.35 178.04 2c1y n ASP 85 N 2.18 7.28 0.00 2.83 5.75 -1.26 -3.94 116.55 129.40 2c1y n ASP 85 Ca -0.17 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.82 2c1y n ASP 85 Cb 0.54 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 2c1y n ASP 85 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2c1y n TYR 86 N -0.85 0.00 0.00 2.11 0.53 -1.26 -5.03 117.16 112.66 2c1y n TYR 86 Ca 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.47 2c1y n TYR 86 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.98 2c1y n TYR 86 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2c1y n GLY 87 N -0.20 0.97 2.24 2.72 0.00 -1.26 -3.03 105.19 106.62 2c1y n GLY 87 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2c1y n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2c1y n GLU 88 N 8.92 2.98 -3.94 1.61 0.28 -1.26 -4.97 120.64 124.27 2c1y n GLU 88 Ca 0.00 -3.57 -0.30 0.00 -0.16 0.00 0.00 57.16 53.13 2c1y n GLU 88 Cb 0.00 -2.29 0.02 0.00 1.43 0.00 0.00 31.44 30.60 2c1y n GLU 88 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2c1y n LEU 89 N -0.85 -2.49 -4.43 -1.84 4.32 -1.17 -4.81 117.00 105.74 2c1y n LEU 89 Ca 0.57 -0.81 -0.63 0.00 -0.02 0.00 0.00 56.01 55.12 2c1y n LEU 89 Cb 0.75 -2.51 -0.11 0.00 -1.62 0.00 0.00 43.42 39.93 2c1y n LEU 89 CO 0.67 0.45 1.53 -1.84 -1.22 0.00 0.00 177.39 176.98 2c1y n GLU 90 N -4.63 0.03 -1.38 3.23 0.28 -1.25 -1.70 120.64 115.21 2c1y n GLU 90 Ca 0.02 0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 2c1y n GLU 90 Cb 0.53 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 2c1y n GLU 90 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2c1y n ASN 91 N 6.31 -4.87 0.34 -1.84 3.02 -1.26 -1.25 115.26 115.70 2c1y n ASN 91 Ca 0.46 0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 55.18 2c1y n ASN 91 Cb -0.04 -3.54 -0.08 0.00 -0.61 0.00 0.00 39.78 35.51 2c1y n ASN 91 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2c1y h LYS 92 N 0.04 -0.82 -0.93 3.52 6.56 -1.57 -2.55 116.57 120.81 2c1y h LYS 92 Ca -0.27 0.06 0.27 0.00 -1.06 0.00 0.00 60.65 59.64 2c1y h LYS 92 Cb 0.96 0.19 -0.04 0.00 -0.57 0.00 0.00 32.23 32.77 2c1y h LYS 92 CO 0.40 -0.51 0.67 0.00 -2.06 0.00 0.00 179.45 177.95 2c1y h ALA 93 N -0.79 2.88 -0.00 3.86 0.00 -1.92 0.44 119.26 123.73 2c1y h ALA 93 Ca -0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2c1y h ALA 93 Cb 0.70 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2c1y h ALA 93 CO 0.14 -1.15 -0.12 1.25 0.00 0.00 0.00 179.25 179.37 2c1y h LEU 94 N 0.00 0.12 -0.18 0.00 5.85 -1.95 -2.10 115.31 117.05 2c1y h LEU 94 Ca 0.44 -0.76 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2c1y h LEU 94 Cb 1.77 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.70 2c1y h LEU 94 CO -0.01 0.86 -0.37 1.23 -0.34 0.00 0.00 178.44 179.82 2c1y h GLY 95 N -0.62 -0.53 -0.86 3.75 0.00 -0.86 -1.92 103.07 102.05 2c1y h GLY 95 Ca -0.01 0.46 0.27 0.00 0.00 0.00 0.00 47.33 48.04 2c1y h GLY 95 CO 0.02 -0.22 0.07 -0.55 0.00 0.00 0.00 176.54 175.87 2c1y h ASP 96 N -0.41 -0.38 -0.86 0.19 3.45 -0.24 -0.72 116.42 117.44 2c1y h ASP 96 Ca 0.10 0.26 0.16 0.00 0.43 0.00 0.00 57.03 57.98 2c1y h ASP 96 Cb 0.58 0.44 -0.10 0.00 -0.56 0.00 0.00 39.33 39.69 2c1y h ASP 96 CO -0.41 -0.32 0.44 -0.09 -1.57 0.00 0.00 179.24 177.29 2c1y h ARG 97 N 0.04 0.59 -0.55 3.56 2.43 -0.62 -1.39 114.38 118.43 2c1y h ARG 97 Ca 0.59 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2c1y h ARG 97 Cb 1.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2c1y h ARG 97 CO -0.86 0.39 0.00 0.66 -1.51 0.00 0.00 179.97 178.64 2c1y n TYR 98 N -4.89 1.73 -4.03 2.20 4.01 -0.33 -4.94 117.16 110.92 2c1y n TYR 98 Ca 0.18 -0.71 -0.29 0.00 -0.16 0.00 0.00 57.90 56.92 2c1y n TYR 98 Cb 0.46 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 2c1y n TYR 98 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2c1y n LYS 99 N 0.63 -3.43 -2.80 -0.72 4.76 -0.52 -4.89 118.16 111.19 2c1y n LYS 99 Ca 0.26 0.41 -0.42 0.00 -2.87 0.00 0.00 58.31 55.69 2c1y n LYS 99 Cb 1.06 -4.76 -0.03 0.00 -1.84 0.00 0.00 35.03 29.45 2c1y n LYS 99 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2c1y s VAL 100 N -3.72 4.87 -0.51 -0.18 -7.23 -0.98 -5.00 120.40 107.63 2c1y s VAL 100 Ca 0.26 1.84 -0.28 0.00 -1.81 0.00 0.00 61.98 62.00 2c1y s VAL 100 Cb -0.14 -4.22 0.03 0.00 0.56 0.00 0.00 36.38 32.61 2c1y s VAL 100 CO 0.90 0.08 1.09 -0.62 -0.31 0.00 0.00 175.10 176.24 2c1y s ASP 101 N 1.05 6.52 0.00 4.85 3.68 -1.26 -4.79 116.67 126.72 2c1y s ASP 101 Ca 0.45 0.21 0.24 0.00 2.13 0.00 0.00 52.55 55.57 2c1y s ASP 101 Cb -0.18 -2.52 0.35 0.00 -1.45 0.00 0.00 42.92 39.11 2c1y s ASP 101 CO 0.18 -1.28 1.30 -0.90 0.13 0.00 0.00 175.17 174.60 2c1y n ASP 102 N 7.85 0.69 0.00 -0.34 5.68 -1.26 -2.61 116.55 126.56 2c1y n ASP 102 Ca 0.09 -0.50 0.04 0.00 -0.50 0.00 0.00 54.79 53.92 2c1y n ASP 102 Cb 0.49 0.42 0.26 0.00 -1.14 0.00 0.00 41.12 41.15 2c1y n ASP 102 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2c1y n LYS 103 N -1.40 0.73 -2.86 0.11 -0.00 -1.26 -4.26 118.16 109.23 2c1y n LYS 103 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2c1y n LYS 103 Cb 0.34 -1.19 0.01 0.00 -0.00 0.00 0.00 35.03 34.19 2c1y n LYS 103 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2c1y s ASN 104 N -1.55 -0.76 0.30 -5.58 0.01 -1.07 -5.19 114.94 101.10 2c1y s ASN 104 Ca 0.13 -0.55 0.08 0.00 -0.71 0.00 0.00 52.86 51.81 2c1y s ASN 104 Cb 0.06 0.98 -0.03 0.00 0.41 0.00 0.00 41.25 42.67 2c1y s ASN 104 CO 0.10 -0.07 0.21 -0.36 -1.51 0.00 0.00 177.10 175.47 2c1y s PHE 105 N 1.60 2.93 0.59 2.20 0.08 -1.24 -4.69 117.98 119.46 2c1y s PHE 105 Ca 0.19 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 2c1y s PHE 105 Cb 0.03 -1.57 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 2c1y s PHE 105 CO -0.11 0.38 0.94 -1.25 -0.10 0.00 0.00 175.22 175.08 2c1y s PRO 106 N -3.88 3.23 -0.02 0.24 0.04 -1.26 -5.06 135.00 128.29 2c1y s PRO 106 Ca 0.36 0.33 0.07 0.00 0.04 0.00 0.00 61.00 61.81 2c1y s PRO 106 Cb -0.06 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 2c1y s PRO 106 CO 0.25 -0.61 -0.24 -1.12 0.04 0.00 0.00 177.00 175.31 2c1y s SER 107 N -4.24 3.19 -0.09 6.66 0.01 0.03 -4.93 113.70 114.34 2c1y s SER 107 Ca 0.53 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.37 2c1y s SER 107 Cb -0.11 -0.41 0.02 0.00 0.21 0.00 0.00 66.02 65.73 2c1y s SER 107 CO 0.49 0.32 -0.11 -0.63 0.41 0.00 0.00 173.24 173.72 2c1y s ILE 108 N -0.63 1.17 0.04 1.44 1.01 -1.26 0.30 121.20 123.28 2c1y s ILE 108 Ca 0.10 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2c1y s ILE 108 Cb -0.10 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2c1y s ILE 108 CO -0.01 0.38 -0.25 -0.36 0.00 0.00 0.00 174.94 174.70 2c1y s PHE 109 N 1.10 2.21 -0.11 3.97 0.40 -0.10 -1.35 117.98 124.10 2c1y s PHE 109 Ca -0.06 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2c1y s PHE 109 Cb -0.14 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2c1y s PHE 109 CO -0.02 0.12 -0.11 -1.17 0.70 0.00 0.00 175.22 174.74 2c1y s LEU 110 N -1.22 2.86 -0.03 -0.37 0.20 0.85 -1.18 118.68 119.80 2c1y s LEU 110 Ca 0.11 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.73 2c1y s LEU 110 Cb -0.10 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 2c1y s LEU 110 CO 0.02 0.23 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.85 2c1y s PHE 111 N -0.05 2.81 -0.60 5.38 0.40 -0.63 -0.13 117.98 125.15 2c1y s PHE 111 Ca -0.02 -0.08 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2c1y s PHE 111 Cb -0.14 -1.63 0.47 0.00 0.51 0.00 0.00 43.02 42.24 2c1y s PHE 111 CO 0.04 0.29 1.93 1.63 0.70 0.00 0.00 175.22 179.80 2c1y n LYS 112 N 1.98 2.73 0.00 0.44 4.76 -1.25 -2.02 118.16 124.79 2c1y n LYS 112 Ca -0.17 -3.36 0.00 0.00 -2.87 0.00 0.00 58.31 51.92 2c1y n LYS 112 Cb 0.52 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 2c1y n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2c1y n GLY 113 N -0.92 0.72 2.67 0.72 0.00 -1.21 -4.83 105.19 102.33 2c1y n GLY 113 Ca 0.60 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.36 2c1y n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2c1y s ASN 114 N -2.27 2.34 0.36 1.61 3.84 -1.26 -4.48 114.94 115.08 2c1y s ASN 114 Ca 0.00 -0.57 0.26 0.00 0.21 0.00 0.00 52.86 52.77 2c1y s ASN 114 Cb 0.00 -0.36 1.25 0.00 -0.55 0.00 0.00 41.25 41.59 2c1y s ASN 114 CO 0.00 -0.31 1.79 0.00 -2.79 0.00 0.00 177.10 175.79 2c1y h ALA 115 N 8.36 1.00 0.00 1.71 0.00 -1.91 -1.62 119.26 126.79 2c1y h ALA 115 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2c1y h ALA 115 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2c1y h ALA 115 CO 0.29 0.00 -0.05 -0.25 0.00 0.00 0.00 179.25 179.23 2c1y n ASP 116 N -2.43 0.72 -3.85 0.00 8.00 -1.26 -4.83 116.55 112.90 2c1y n ASP 116 Ca 0.00 0.52 -0.29 0.00 0.71 0.00 0.00 54.79 55.74 2c1y n ASP 116 Cb 0.15 -0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 40.41 2c1y n ASP 116 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2c1y s GLU 117 N -3.09 1.19 0.04 -1.24 8.01 -0.61 -5.12 118.70 117.87 2c1y s GLU 117 Ca 0.11 -0.62 -0.12 0.00 0.01 0.00 0.00 54.97 54.35 2c1y s GLU 117 Cb 0.13 -2.20 0.01 0.00 -4.31 0.00 0.00 34.13 27.76 2c1y s GLU 117 CO 0.60 -0.56 0.27 1.52 0.01 0.00 0.00 175.26 177.10 2c1y s TYR 118 N 1.65 -0.06 -0.19 1.61 1.13 -1.26 -3.92 117.35 116.31 2c1y s TYR 118 Ca -0.02 -0.09 -0.01 0.00 -1.41 0.00 0.00 57.07 55.54 2c1y s TYR 118 Cb -0.17 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 2c1y s TYR 118 CO -0.07 -0.47 -0.12 0.54 -2.51 0.00 0.00 175.55 172.93 2c1y s VAL 119 N -2.43 2.84 0.23 -3.49 0.11 0.81 -4.95 120.40 113.53 2c1y s VAL 119 Ca -0.06 -0.69 -0.25 0.00 -2.93 0.00 0.00 61.98 58.06 2c1y s VAL 119 Cb -0.01 -2.24 -0.09 0.00 -1.53 0.00 0.00 36.38 32.51 2c1y s VAL 119 CO -0.03 0.48 0.83 -1.58 -3.33 0.00 0.00 175.10 171.48 2c1y s GLN 120 N 1.19 4.53 -0.03 1.54 0.74 -1.26 -0.10 119.66 126.27 2c1y s GLN 120 Ca 0.02 1.18 -0.30 0.00 0.05 0.00 0.00 55.36 56.31 2c1y s GLN 120 Cb -0.14 -3.04 -0.06 0.00 1.10 0.00 0.00 33.01 30.88 2c1y s GLN 120 CO -0.05 0.44 1.54 -1.17 -0.55 0.00 0.00 175.29 175.50 2c1y s LEU 121 N -1.62 4.31 0.45 3.68 2.96 -0.46 -4.94 118.68 123.06 2c1y s LEU 121 Ca 0.42 2.19 -0.22 0.00 -0.22 0.00 0.00 54.13 56.30 2c1y s LEU 121 Cb -0.21 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.82 2c1y s LEU 121 CO 0.25 -0.84 0.62 -2.65 -1.32 0.00 0.00 176.35 172.40 2c1y n PRO 122 N 6.29 0.68 0.25 0.98 -0.02 -1.26 -4.75 135.00 137.17 2c1y n PRO 122 Ca 0.15 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 2c1y n PRO 122 Cb 0.43 -1.62 0.62 0.00 -0.02 0.00 0.00 33.50 32.90 2c1y n PRO 122 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2c1y h SER 123 N 0.82 0.00 0.65 2.55 4.64 -2.01 -2.29 113.55 117.91 2c1y h SER 123 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2c1y h SER 123 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2c1y h SER 123 CO 0.52 0.11 -0.01 0.00 -0.87 0.00 0.00 176.83 176.58 2c1y n HIS 124 N -4.22 0.00 -3.28 4.77 1.44 -1.26 -4.81 115.22 107.86 2c1y n HIS 124 Ca -0.03 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.30 2c1y n HIS 124 Cb 0.19 -0.33 -0.06 0.00 0.12 0.00 0.00 29.99 29.91 2c1y n HIS 124 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2c1y s VAL 125 N -2.66 5.16 0.23 0.61 1.01 -0.86 -5.02 120.40 118.86 2c1y s VAL 125 Ca 0.26 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 2c1y s VAL 125 Cb 0.20 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2c1y s VAL 125 CO 0.48 0.28 1.32 1.51 0.00 0.00 0.00 175.10 178.68 2c1y s ASP 126 N 0.80 6.86 -0.96 3.32 1.47 -1.26 -4.93 116.67 121.97 2c1y s ASP 126 Ca 0.26 2.47 -0.20 0.00 1.18 0.00 0.00 52.55 56.26 2c1y s ASP 126 Cb -0.15 -2.62 0.11 0.00 -0.34 0.00 0.00 42.92 39.92 2c1y s ASP 126 CO 0.10 -0.54 1.22 -0.69 0.68 0.00 0.00 175.17 175.94 2c1y s VAL 127 N -0.11 4.51 0.23 2.11 1.01 -1.26 -4.69 120.40 122.20 2c1y s VAL 127 Ca 0.56 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2c1y s VAL 127 Cb -0.37 -4.86 -0.05 0.00 0.00 0.00 0.00 36.38 31.10 2c1y s VAL 127 CO 0.41 -1.63 0.00 0.42 0.00 0.00 0.00 175.10 174.30 2c1y s THR 128 N 3.30 1.00 0.07 3.92 -4.23 -1.26 -4.61 115.64 113.82 2c1y s THR 128 Ca 0.36 -2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 2c1y s THR 128 Cb -0.03 -2.35 -0.12 0.00 1.34 0.00 0.00 72.50 71.34 2c1y s THR 128 CO -0.10 -0.32 1.58 0.25 -0.54 0.00 0.00 174.62 175.49 2c1y h LEU 129 N 2.48 0.20 -1.19 4.79 6.46 -1.92 -0.77 115.31 125.36 2c1y h LEU 129 Ca -0.38 -0.21 -0.08 0.00 -0.12 0.00 0.00 57.88 57.09 2c1y h LEU 129 Cb 1.22 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2c1y h LEU 129 CO 0.64 0.36 -0.37 0.44 -0.62 0.00 0.00 178.44 178.89 2c1y h ASP 130 N 0.04 0.07 0.50 1.25 5.19 -1.96 -1.68 116.42 119.82 2c1y h ASP 130 Ca 0.04 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.30 2c1y h ASP 130 Cb 0.23 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 2c1y h ASP 130 CO -0.00 0.43 -0.58 0.78 -3.12 0.00 0.00 179.24 176.75 2c1y h ASN 131 N 0.06 0.09 0.08 6.45 2.35 -1.81 -2.33 115.58 120.47 2c1y h ASN 131 Ca 0.00 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2c1y h ASN 131 Cb 0.68 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2c1y h ASN 131 CO 0.05 0.65 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.37 2c1y h LEU 132 N 0.06 -0.09 -0.67 1.61 4.07 -0.96 -1.03 115.31 118.29 2c1y h LEU 132 Ca -0.00 -0.46 0.13 0.00 0.08 0.00 0.00 57.88 57.63 2c1y h LEU 132 Cb 1.05 0.02 -0.09 0.00 1.08 0.00 0.00 40.66 42.72 2c1y h LEU 132 CO 0.08 0.44 0.20 0.11 -1.08 0.00 0.00 178.44 178.20 2c1y h LYS 133 N -0.68 0.33 -0.49 1.13 1.57 -1.39 -2.65 116.57 114.38 2c1y h LYS 133 Ca -0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2c1y h LYS 133 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2c1y h LYS 133 CO 0.02 0.22 -0.10 0.00 -0.57 0.00 0.00 179.45 179.02 2c1y h ALA 134 N 1.51 0.90 -0.44 3.86 0.00 -1.38 -1.78 119.26 121.93 2c1y h ALA 134 Ca 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2c1y h ALA 134 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2c1y h ALA 134 CO -0.41 0.63 0.11 0.35 0.00 0.00 0.00 179.25 179.94 2c1y h PHE 135 N 0.81 0.66 -0.20 0.00 3.57 -1.04 -1.05 116.94 119.69 2c1y h PHE 135 Ca 0.13 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 2c1y h PHE 135 Cb 0.61 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2c1y h PHE 135 CO 0.04 0.56 -0.35 0.28 -2.23 0.00 0.00 178.31 176.61 2c1y h VAL 136 N 0.63 1.33 0.00 1.41 2.07 -1.00 -3.12 116.25 117.57 2c1y h VAL 136 Ca 0.15 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2c1y h VAL 136 Cb 0.23 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2c1y h VAL 136 CO -0.00 0.48 -0.24 0.77 0.02 0.00 0.00 177.57 178.60 2c1y h SER 137 N 0.25 0.00 0.14 0.57 4.64 -1.31 -2.83 113.55 115.01 2c1y h SER 137 Ca 0.01 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2c1y h SER 137 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2c1y h SER 137 CO 0.08 0.01 -0.12 0.00 -0.87 0.00 0.00 176.83 175.92 2c1y h ALA 138 N 2.13 1.73 -0.06 5.18 0.00 -1.21 -3.33 119.26 123.70 2c1y h ALA 138 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2c1y h ALA 138 Cb 0.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2c1y h ALA 138 CO 0.00 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.49 2c1y n ASN 139 N -4.30 1.82 -3.45 0.00 3.02 -1.18 -5.06 115.26 106.10 2c1y n ASN 139 Ca -0.03 -1.45 -0.11 0.00 -0.03 0.00 0.00 54.58 52.96 2c1y n ASN 139 Cb 0.20 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 2c1y n ASN 139 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2c1y s THR 140 N -0.69 0.00 -1.47 3.41 -4.23 -1.07 -5.03 115.64 106.55 2c1y s THR 140 Ca 0.10 -0.01 0.14 0.00 -1.18 0.00 0.00 61.69 60.74 2c1y s THR 140 Cb 0.06 -1.01 0.26 0.00 1.34 0.00 0.00 72.50 73.15 2c1y s THR 140 CO 0.09 0.00 1.37 -2.65 -0.54 0.00 0.00 174.62 172.90 2c1y n PRO 141 N -0.33 0.22 -1.42 3.99 -0.02 -1.26 -4.55 135.00 131.63 2c1y n PRO 141 Ca -0.14 0.14 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2c1y n PRO 141 Cb 0.64 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.75 2c1y n PRO 141 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2c1y s LEU 142 N -2.53 2.11 -0.25 2.45 1.43 -1.26 -5.07 118.68 115.57 2c1y s LEU 142 Ca 0.14 1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 54.35 2c1y s LEU 142 Cb 0.10 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.89 2c1y s LEU 142 CO 0.21 -2.53 0.49 -0.47 0.23 0.00 0.00 176.35 174.29 2c1y s TYR 143 N -3.14 -1.05 0.00 0.29 6.04 -1.26 -4.44 117.35 113.79 2c1y s TYR 143 Ca 0.63 1.62 0.00 0.00 0.04 0.00 0.00 57.07 59.36 2c1y s TYR 143 Cb -0.16 0.41 0.00 0.00 -1.04 0.00 0.00 41.96 41.17 2c1y s TYR 143 CO 0.55 -0.63 0.00 -0.89 -1.54 0.00 0.00 175.55 173.04 2c1y n ILE 144 N 5.41 0.00 0.00 3.14 5.41 -1.26 -4.91 119.36 127.14 2c1y n ILE 144 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2c1y n ILE 144 Cb 0.50 -0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2c1y n ILE 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2c1y n GLY 145 N 3.86 3.40 0.50 7.39 0.00 -1.26 -4.98 105.19 114.09 2c1y n GLY 145 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2c1y n GLY 145 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2c1y n ARG 146 N -1.77 0.00 -2.62 1.61 0.63 -1.26 -5.07 116.66 108.18 2c1y n ARG 146 Ca 0.00 0.37 -0.43 0.00 -0.92 0.00 0.00 57.85 56.87 2c1y n ARG 146 Cb 0.00 -0.12 -0.02 0.00 0.45 0.00 0.00 32.46 32.77 2c1y n ARG 146 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2c1y s ASP 147 N 0.00 6.95 0.00 6.15 1.01 -1.26 -4.99 116.67 124.52 2c1y s ASP 147 Ca 0.00 1.16 0.00 0.00 0.71 0.00 0.00 52.55 54.42 2c1y s ASP 147 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2c1y s ASP 147 CO 0.00 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.14 2c1y n GLY 148 N 3.78 -2.38 0.00 0.21 0.00 -1.26 -5.35 105.19 100.20 2c1y n GLY 148 Ca 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2c1y n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32