#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jcq s SER 16 N 0.00 3.63 0.55 4.04 1.04 -1.26 -5.12 113.70 116.58 1jcq s SER 16 Ca 0.00 -1.17 -0.21 0.00 0.48 0.00 0.00 55.95 55.05 1jcq s SER 16 Cb 0.00 -0.33 -0.06 0.00 0.10 0.00 0.00 66.02 65.73 1jcq s SER 16 CO 0.00 -0.18 1.08 -2.65 0.98 0.00 0.00 173.24 172.47 1jcq n PRO 17 N -0.75 1.22 0.30 4.02 -0.02 -1.26 -4.88 135.00 133.62 1jcq n PRO 17 Ca -0.05 0.45 0.18 0.00 -2.02 0.00 0.00 63.50 62.06 1jcq n PRO 17 Cb 0.63 -2.25 0.96 0.00 -0.02 0.00 0.00 33.50 32.82 1jcq n PRO 17 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1jcq h VAL 18 N 0.98 0.24 -0.34 -1.45 -1.51 -2.03 -2.01 116.25 110.13 1jcq h VAL 18 Ca -0.48 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1jcq h VAL 18 Cb 1.34 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1jcq h VAL 18 CO 0.54 0.03 0.00 -2.67 -1.23 0.00 0.00 177.57 174.24 1jcq n TRP 19 N -3.36 1.02 -3.67 5.19 4.27 -1.26 -4.78 117.44 114.84 1jcq n TRP 19 Ca -0.02 -0.37 -0.12 0.00 -3.89 0.00 0.00 57.50 53.09 1jcq n TRP 19 Cb 0.15 -0.25 -0.12 0.00 -1.36 0.00 0.00 31.31 29.72 1jcq n TRP 19 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1jcq s SER 20 N -0.57 0.09 -0.17 -0.67 0.15 -0.76 -4.38 113.70 107.40 1jcq s SER 20 Ca 0.30 0.68 -0.00 0.00 0.70 0.00 0.00 55.95 57.62 1jcq s SER 20 Cb 0.21 0.78 0.04 0.00 -1.71 0.00 0.00 66.02 65.34 1jcq s SER 20 CO 0.11 -0.22 -0.06 -0.70 1.20 0.00 0.00 173.24 173.57 1jcq s GLU 21 N 2.21 1.52 0.29 5.44 2.12 0.19 -4.54 118.70 125.93 1jcq s GLU 21 Ca -0.02 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 1jcq s GLU 21 Cb -0.12 -2.03 -0.12 0.00 0.26 0.00 0.00 34.13 32.13 1jcq s GLU 21 CO -0.10 -0.42 1.61 -2.30 -0.54 0.00 0.00 175.26 173.52 1jcq n PRO 22 N 4.86 2.73 -4.63 4.30 -0.02 -1.26 -4.78 135.00 136.19 1jcq n PRO 22 Ca -0.12 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 61.99 1jcq n PRO 22 Cb 0.48 -2.76 -0.12 0.00 -0.02 0.00 0.00 33.50 31.08 1jcq n PRO 22 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jcq s LEU 23 N -0.33 3.12 0.17 2.45 1.43 -1.26 -5.02 118.68 119.24 1jcq s LEU 23 Ca 0.65 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 53.54 1jcq s LEU 23 Cb -0.49 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.17 1jcq s LEU 23 CO 0.47 0.33 1.74 0.22 0.23 0.00 0.00 176.35 179.34 1jcq h TYR 24 N 5.49 0.22 0.00 0.29 3.20 -1.94 -1.47 116.97 122.75 1jcq h TYR 24 Ca -0.45 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1jcq h TYR 24 Cb 1.18 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.41 1jcq h TYR 24 CO 0.55 0.06 0.00 0.77 -1.64 0.00 0.00 178.16 177.91 1jcq h SER 25 N 0.28 0.00 -0.02 -2.11 0.02 -1.95 -2.69 113.55 107.07 1jcq h SER 25 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jcq h SER 25 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1jcq h SER 25 CO -0.24 0.00 -0.16 0.18 -1.14 0.00 0.00 176.83 175.47 1jcq n LEU 26 N -2.69 2.65 -4.75 5.07 4.77 -0.58 -4.87 117.00 116.60 1jcq n LEU 26 Ca -0.00 -0.92 -0.38 0.00 -0.03 0.00 0.00 56.01 54.68 1jcq n LEU 26 Cb 0.19 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1jcq n LEU 26 CO 0.20 0.46 0.94 -0.13 -1.33 0.00 0.00 177.39 177.52 1jcq s ARG 27 N -2.14 3.19 0.36 3.23 0.52 -1.02 -4.90 118.95 118.19 1jcq s ARG 27 Ca 0.24 2.10 0.03 0.00 -0.52 0.00 0.00 55.73 57.58 1jcq s ARG 27 Cb 0.19 -2.22 0.66 0.00 0.52 0.00 0.00 34.95 34.10 1jcq s ARG 27 CO 0.39 -1.11 2.00 -1.00 0.02 0.00 0.00 175.30 175.60 1jcq h PRO 28 N 1.43 0.75 0.00 3.54 0.13 -1.93 -1.85 132.00 134.09 1jcq h PRO 28 Ca -0.51 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1jcq h PRO 28 Cb 1.29 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jcq h PRO 28 CO 0.57 0.53 -0.06 0.93 -0.23 0.00 0.00 178.00 179.74 1jcq h GLU 29 N 0.77 0.00 -0.15 0.86 3.07 -1.95 -2.87 114.58 114.32 1jcq h GLU 29 Ca 0.20 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1jcq h GLU 29 Cb -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1jcq h GLU 29 CO -0.04 0.06 0.22 1.25 -1.40 0.00 0.00 179.01 179.10 1jcq h HIS 30 N 0.00 0.00 -0.06 4.33 2.76 -1.63 -1.08 115.15 119.47 1jcq h HIS 30 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1jcq h HIS 30 Cb 0.15 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1jcq h HIS 30 CO 0.00 0.00 -0.11 0.00 -1.30 0.00 0.00 177.93 176.52 1jcq h ALA 31 N 1.70 1.71 0.00 5.26 0.00 -1.69 -1.54 119.26 124.69 1jcq h ALA 31 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jcq h ALA 31 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jcq h ALA 31 CO -0.00 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1jcq n ARG 32 N -4.36 0.06 -0.10 0.00 1.74 -0.41 -2.20 116.66 111.38 1jcq n ARG 32 Ca -0.02 0.44 0.09 0.00 -0.77 0.00 0.00 57.85 57.59 1jcq n ARG 32 Cb 0.21 -1.65 0.31 0.00 -1.02 0.00 0.00 32.46 30.32 1jcq n ARG 32 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1jcq n GLU 33 N -1.76 1.68 -2.43 5.56 -0.58 -0.58 -4.92 120.64 117.61 1jcq n GLU 33 Ca 0.01 -1.04 -0.36 0.00 -0.42 0.00 0.00 57.16 55.35 1jcq n GLU 33 Cb 0.09 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 1jcq n GLU 33 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1jcq s ARG 34 N -1.74 3.86 0.35 3.49 1.81 -0.94 -4.08 118.95 121.71 1jcq s ARG 34 Ca 0.29 1.56 -0.25 0.00 -1.72 0.00 0.00 55.73 55.60 1jcq s ARG 34 Cb 0.15 -2.32 -0.14 0.00 -0.45 0.00 0.00 34.95 32.19 1jcq s ARG 34 CO 0.22 -0.42 0.68 -0.11 -0.68 0.00 0.00 175.30 175.00 1jcq n LEU 35 N -0.56 0.33 -3.96 2.53 7.94 -1.26 -4.97 117.00 117.05 1jcq n LEU 35 Ca 0.08 1.02 -0.31 0.00 -1.11 0.00 0.00 56.01 55.69 1jcq n LEU 35 Cb 0.50 -1.14 -0.15 0.00 0.53 0.00 0.00 43.42 43.16 1jcq n LEU 35 CO 0.44 -2.46 -0.29 -1.10 -1.11 0.00 0.00 177.39 172.87 1jcq s GLN 36 N -1.49 1.52 0.00 1.96 -0.21 -1.26 -4.98 119.66 115.21 1jcq s GLN 36 Ca 0.62 -1.99 0.23 0.00 0.02 0.00 0.00 55.36 54.24 1jcq s GLN 36 Cb -0.68 -3.08 1.38 0.00 1.00 0.00 0.00 33.01 31.63 1jcq s GLN 36 CO 0.58 -1.00 1.82 -0.40 -2.12 0.00 0.00 175.29 174.18 1jcq n ASP 37 N 4.00 0.00 -1.95 5.90 5.68 -1.26 -4.88 116.55 124.04 1jcq n ASP 37 Ca 0.04 -1.03 -0.18 0.00 -0.50 0.00 0.00 54.79 53.12 1jcq n ASP 37 Cb 0.39 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.33 1jcq n ASP 37 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1jcq n ASP 38 N -0.91 -4.88 -1.60 -1.12 8.00 -1.26 -0.97 116.55 113.81 1jcq n ASP 38 Ca 0.17 0.26 -0.16 0.00 0.71 0.00 0.00 54.79 55.77 1jcq n ASP 38 Cb 0.08 -4.24 -0.04 0.00 -0.02 0.00 0.00 41.12 36.91 1jcq n ASP 38 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1jcq n SER 39 N -1.45 -4.92 -3.86 -2.24 7.64 -1.26 -4.97 113.62 102.56 1jcq n SER 39 Ca -0.19 0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.56 1jcq n SER 39 Cb 0.62 -3.95 -0.15 0.00 -1.01 0.00 0.00 64.21 59.71 1jcq n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jcq s VAL 40 N -2.73 1.35 0.03 0.44 1.01 -0.14 -5.11 120.40 115.25 1jcq s VAL 40 Ca 0.00 -1.46 -0.18 0.00 0.00 0.00 0.00 61.98 60.34 1jcq s VAL 40 Cb 0.00 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.45 1jcq s VAL 40 CO 0.00 -0.43 0.51 -1.61 0.00 0.00 0.00 175.10 173.57 1jcq s GLU 41 N 1.42 4.13 0.17 2.72 2.02 -1.26 -4.88 118.70 123.00 1jcq s GLU 41 Ca 0.04 0.61 -0.03 0.00 0.02 0.00 0.00 54.97 55.60 1jcq s GLU 41 Cb -0.18 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1jcq s GLU 41 CO -0.14 0.60 0.15 0.95 0.02 0.00 0.00 175.26 176.84 1jcq s THR 42 N -0.89 0.05 0.36 3.63 -4.23 -1.26 -5.01 115.64 108.30 1jcq s THR 42 Ca 0.27 -1.82 0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1jcq s THR 42 Cb -0.18 -2.18 0.34 0.00 1.34 0.00 0.00 72.50 71.82 1jcq s THR 42 CO 0.16 -0.25 1.84 0.58 -0.54 0.00 0.00 174.62 176.41 1jcq h VAL 43 N 2.69 0.75 0.26 2.29 2.07 -1.99 -1.15 116.25 121.17 1jcq h VAL 43 Ca -0.34 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1jcq h VAL 43 Cb 1.22 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jcq h VAL 43 CO 0.54 0.11 -0.12 0.74 0.02 0.00 0.00 177.57 178.85 1jcq h THR 44 N 0.61 0.77 -0.58 2.57 2.02 -1.95 -0.24 112.91 116.11 1jcq h THR 44 Ca 0.49 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.44 1jcq h THR 44 Cb 0.93 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1jcq h THR 44 CO -0.24 0.03 0.08 0.77 0.37 0.00 0.00 175.52 176.53 1jcq h SER 45 N -0.43 0.89 -0.18 4.18 4.64 -1.78 -1.91 113.55 118.97 1jcq h SER 45 Ca -0.04 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1jcq h SER 45 Cb 0.32 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1jcq h SER 45 CO 0.06 0.91 0.10 0.40 -0.87 0.00 0.00 176.83 177.43 1jcq h ILE 46 N 0.88 1.09 -0.62 0.95 2.04 -1.07 -0.17 117.51 120.61 1jcq h ILE 46 Ca 0.18 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1jcq h ILE 46 Cb 0.41 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1jcq h ILE 46 CO 0.01 0.08 0.14 -0.33 0.00 0.00 0.00 178.15 178.05 1jcq h GLU 47 N 0.20 1.00 -0.57 2.37 4.39 -0.87 -2.34 114.58 118.76 1jcq h GLU 47 Ca 0.06 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1jcq h GLU 47 Cb 0.05 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1jcq h GLU 47 CO -0.01 0.91 0.35 0.37 -1.16 0.00 0.00 179.01 179.47 1jcq h GLN 48 N 0.91 0.77 -0.62 2.33 5.75 -1.11 -2.38 115.11 120.76 1jcq h GLN 48 Ca 0.19 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1jcq h GLN 48 Cb 0.37 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1jcq h GLN 48 CO 0.00 0.55 0.27 0.00 -2.65 0.00 0.00 178.83 177.00 1jcq h ALA 49 N 1.18 1.31 -0.43 3.38 0.00 -0.83 -0.94 119.26 122.93 1jcq h ALA 49 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1jcq h ALA 49 Cb -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jcq h ALA 49 CO -0.04 0.52 0.06 0.87 0.00 0.00 0.00 179.25 180.67 1jcq h LYS 50 N 0.88 0.72 -0.22 0.00 1.57 -1.00 -0.86 116.57 117.66 1jcq h LYS 50 Ca 0.21 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1jcq h LYS 50 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1jcq h LYS 50 CO -0.02 0.75 0.04 0.28 -0.57 0.00 0.00 179.45 179.93 1jcq h VAL 51 N 0.57 1.22 -0.84 0.50 2.07 -1.09 -2.41 116.25 116.27 1jcq h VAL 51 Ca 0.13 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1jcq h VAL 51 Cb 0.39 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1jcq h VAL 51 CO 0.01 0.23 0.55 -0.33 0.02 0.00 0.00 177.57 178.04 1jcq h GLU 52 N 0.17 1.05 -0.14 1.57 5.08 -1.07 -0.39 114.58 120.86 1jcq h GLU 52 Ca 0.07 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1jcq h GLU 52 Cb 0.30 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1jcq h GLU 52 CO 0.00 0.69 -0.10 1.49 -1.00 0.00 0.00 179.01 180.09 1jcq h GLU 53 N 1.08 -0.11 -0.33 2.33 4.57 -1.01 0.67 114.58 121.78 1jcq h GLU 53 Ca 0.33 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1jcq h GLU 53 Cb -0.03 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1jcq h GLU 53 CO -0.10 -0.07 0.19 -0.22 -1.18 0.00 0.00 179.01 177.62 1jcq h LYS 54 N -0.11 0.45 -0.96 1.92 1.63 -0.90 -2.89 116.57 115.72 1jcq h LYS 54 Ca 0.09 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 1jcq h LYS 54 Cb 0.24 -0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 1jcq h LYS 54 CO -0.20 0.37 0.63 0.82 -3.45 0.00 0.00 179.45 177.62 1jcq h ILE 55 N 0.41 1.22 -0.44 2.00 1.08 -0.65 -2.30 117.51 118.83 1jcq h ILE 55 Ca 0.12 -0.44 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1jcq h ILE 55 Cb 0.04 -0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.59 1jcq h ILE 55 CO -0.02 0.23 0.22 -0.61 -0.69 0.00 0.00 178.15 177.28 1jcq h GLN 56 N 1.27 0.42 -0.62 2.37 5.75 -0.67 -0.23 115.11 123.40 1jcq h GLN 56 Ca 0.36 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.88 1jcq h GLN 56 Cb -0.09 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.31 1jcq h GLN 56 CO -0.09 0.28 0.35 0.93 -2.65 0.00 0.00 178.83 177.65 1jcq h GLU 57 N 0.44 0.65 0.04 1.69 5.08 -1.27 0.06 114.58 121.27 1jcq h GLU 57 Ca 0.19 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1jcq h GLU 57 Cb 0.10 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1jcq h GLU 57 CO -0.14 0.43 -0.02 0.28 -1.00 0.00 0.00 179.01 178.56 1jcq h VAL 58 N 0.67 1.04 -0.40 3.13 2.07 -0.90 -1.99 116.25 119.87 1jcq h VAL 58 Ca 0.27 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1jcq h VAL 58 Cb 0.13 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1jcq h VAL 58 CO -0.15 0.06 0.01 -0.26 0.02 0.00 0.00 177.57 177.25 1jcq h PHE 59 N -0.17 -0.01 -0.76 1.57 0.05 -0.63 -1.43 116.94 115.56 1jcq h PHE 59 Ca -0.01 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.89 1jcq h PHE 59 Cb 0.15 0.06 -0.05 0.00 2.00 0.00 0.00 35.95 38.11 1jcq h PHE 59 CO -0.04 -0.07 0.50 0.77 -0.18 0.00 0.00 178.31 179.29 1jcq h SER 60 N 0.11 0.67 0.29 2.17 0.02 -0.87 -2.02 113.55 113.92 1jcq h SER 60 Ca 0.19 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jcq h SER 60 Cb 0.27 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1jcq h SER 60 CO -0.32 0.42 0.00 -1.54 -1.14 0.00 0.00 176.83 174.25 1jcq n SER 61 N -4.49 0.00 -0.88 3.07 3.41 -0.54 -1.83 113.62 112.36 1jcq n SER 61 Ca 0.12 0.43 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 1jcq n SER 61 Cb 0.27 -0.46 0.12 0.00 -0.26 0.00 0.00 64.21 63.89 1jcq n SER 61 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jcq n TYR 62 N -1.46 0.18 -4.78 7.33 4.02 -0.76 -4.94 117.16 116.75 1jcq n TYR 62 Ca 0.03 -0.11 -0.33 0.00 -0.01 0.00 0.00 57.90 57.48 1jcq n TYR 62 Cb 0.10 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.28 1jcq n TYR 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1jcq s LYS 63 N -1.53 3.10 -0.50 -0.72 2.20 -0.76 -4.34 119.74 117.18 1jcq s LYS 63 Ca 0.27 -0.67 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 1jcq s LYS 63 Cb 0.18 -2.57 0.23 0.00 -1.51 0.00 0.00 37.83 34.16 1jcq s LYS 63 CO 0.26 0.37 0.57 1.19 -0.36 0.00 0.00 175.35 177.38 1jcq n PHE 64 N 3.07 1.23 0.00 4.03 3.01 0.09 -5.00 117.46 123.89 1jcq n PHE 64 Ca -0.18 -3.80 0.00 0.00 1.01 0.00 0.00 57.45 54.49 1jcq n PHE 64 Cb 0.53 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1jcq n PHE 64 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jcq n ASN 65 N 1.43 0.00 0.00 4.37 3.02 -1.26 -0.55 115.26 122.27 1jcq n ASN 65 Ca 0.25 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.94 1jcq n ASN 65 Cb 0.47 0.00 0.85 0.00 -0.61 0.00 0.00 39.78 40.49 1jcq n ASN 65 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1jcq n HIS 66 N 14.00 0.00 -3.42 3.10 -0.00 -1.26 -4.67 115.22 122.97 1jcq n HIS 66 Ca 0.00 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.77 1jcq n HIS 66 Cb 0.00 -0.01 -0.09 0.00 -0.12 0.00 0.00 29.99 29.76 1jcq n HIS 66 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1jcq s LEU 67 N -2.02 4.58 -0.43 0.27 2.96 0.29 -5.02 118.68 119.30 1jcq s LEU 67 Ca 0.43 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1jcq s LEU 67 Cb 0.20 -2.30 0.13 0.00 0.50 0.00 0.00 46.19 44.72 1jcq s LEU 67 CO 0.34 -0.37 0.21 -0.69 -1.32 0.00 0.00 176.35 174.52 1jcq s VAL 68 N 1.96 1.59 0.49 1.68 1.01 -1.26 -0.73 120.40 125.13 1jcq s VAL 68 Ca 0.10 -2.52 -0.24 0.00 0.00 0.00 0.00 61.98 59.33 1jcq s VAL 68 Cb -0.17 -2.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.01 1jcq s VAL 68 CO 0.12 -0.83 1.36 -2.65 0.00 0.00 0.00 175.10 173.10 1jcq n PRO 69 N 3.69 1.95 -1.76 2.72 -0.02 -1.26 -0.63 135.00 139.68 1jcq n PRO 69 Ca 0.06 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 1jcq n PRO 69 Cb 0.35 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1jcq n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jcq n ARG 70 N -0.48 2.65 -2.20 -0.52 1.74 -1.26 -4.71 116.66 111.88 1jcq n ARG 70 Ca 0.08 0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 57.72 1jcq n ARG 70 Cb 0.42 -2.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 1jcq n ARG 70 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jcq s LEU 71 N -1.56 3.90 -0.08 0.55 1.43 -1.26 -4.70 118.68 116.96 1jcq s LEU 71 Ca 0.56 2.31 0.01 0.00 -1.03 0.00 0.00 54.13 55.99 1jcq s LEU 71 Cb -0.49 -4.36 0.02 0.00 0.03 0.00 0.00 46.19 41.39 1jcq s LEU 71 CO 0.60 -1.10 -0.10 -0.69 0.23 0.00 0.00 176.35 175.28 1jcq s VAL 72 N -1.59 1.06 -0.42 -1.59 1.01 -1.26 -1.84 120.40 115.76 1jcq s VAL 72 Ca 0.68 -0.39 -0.26 0.00 0.00 0.00 0.00 61.98 62.01 1jcq s VAL 72 Cb -0.28 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1jcq s VAL 72 CO 0.33 0.35 0.93 -0.22 0.00 0.00 0.00 175.10 176.50 1jcq s LEU 73 N 1.06 3.99 -0.36 3.92 2.96 -1.26 -4.94 118.68 124.05 1jcq s LEU 73 Ca -0.07 0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1jcq s LEU 73 Cb -0.15 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 1jcq s LEU 73 CO -0.01 -0.97 1.44 0.00 -1.32 0.00 0.00 176.35 175.49 1jcq n GLN 74 N 7.02 0.82 -0.30 1.98 1.13 -1.26 -4.77 117.38 122.00 1jcq n GLN 74 Ca 0.07 -0.88 -0.09 0.00 -1.94 0.00 0.00 57.00 54.16 1jcq n GLN 74 Cb 0.48 -2.18 -0.05 0.00 0.11 0.00 0.00 30.24 28.60 1jcq n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jcq h ARG 75 N 7.34 -0.12 -0.58 -1.09 3.08 -1.96 -1.85 114.38 119.20 1jcq h ARG 75 Ca 0.20 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1jcq h ARG 75 Cb 0.07 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 1jcq h ARG 75 CO 1.18 -0.08 0.30 0.93 -1.07 0.00 0.00 179.97 181.23 1jcq h GLU 76 N -0.13 0.55 -0.57 0.04 4.39 -1.99 0.18 114.58 117.06 1jcq h GLU 76 Ca 0.19 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 1jcq h GLU 76 Cb 0.52 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1jcq h GLU 76 CO -0.82 0.36 0.24 0.87 -1.16 0.00 0.00 179.01 178.50 1jcq h LYS 77 N 0.57 0.82 -0.05 2.33 1.57 -1.73 -0.56 116.57 119.52 1jcq h LYS 77 Ca 0.26 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1jcq h LYS 77 Cb 0.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jcq h LYS 77 CO -0.18 0.66 -0.13 0.45 -0.57 0.00 0.00 179.45 179.68 1jcq h HIS 78 N 0.81 0.22 -0.68 -1.35 3.86 -0.71 -2.88 115.15 114.42 1jcq h HIS 78 Ca 0.20 -0.09 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 1jcq h HIS 78 Cb 0.14 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 28.50 1jcq h HIS 78 CO 0.01 0.74 0.30 0.35 0.86 0.00 0.00 177.93 180.18 1jcq h PHE 79 N -0.37 0.52 -0.30 2.45 3.57 -0.34 0.14 116.94 122.62 1jcq h PHE 79 Ca -0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1jcq h PHE 79 Cb 0.74 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1jcq h PHE 79 CO 0.13 0.15 -0.17 0.45 -2.23 0.00 0.00 178.31 176.64 1jcq h HIS 80 N 0.50 0.58 -0.29 0.41 3.86 -1.16 0.04 115.15 119.09 1jcq h HIS 80 Ca 0.34 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1jcq h HIS 80 Cb 0.42 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1jcq h HIS 80 CO -0.14 0.68 -0.04 -0.92 0.86 0.00 0.00 177.93 178.37 1jcq h TYR 81 N 0.48 0.60 -0.01 2.45 3.20 -0.96 -1.92 116.97 120.82 1jcq h TYR 81 Ca 0.08 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1jcq h TYR 81 Cb 0.57 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1jcq h TYR 81 CO 0.02 0.71 -0.00 -0.07 -1.64 0.00 0.00 178.16 177.18 1jcq h LEU 82 N 0.32 0.02 -0.67 2.82 3.38 -0.58 -2.18 115.31 118.43 1jcq h LEU 82 Ca 0.08 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.79 1jcq h LEU 82 Cb 0.50 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1jcq h LEU 82 CO 0.02 0.36 0.33 0.50 0.09 0.00 0.00 178.44 179.74 1jcq h LYS 83 N -0.31 0.55 -0.46 1.13 3.64 -1.00 -1.57 116.57 118.55 1jcq h LYS 83 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1jcq h LYS 83 Cb 0.35 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1jcq h LYS 83 CO 0.00 0.37 0.19 -0.09 -2.27 0.00 0.00 179.45 177.65 1jcq h ARG 84 N 0.57 0.68 0.00 1.90 9.65 -1.31 -3.06 114.38 122.81 1jcq h ARG 84 Ca 0.33 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1jcq h ARG 84 Cb 0.33 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1jcq h ARG 84 CO -0.26 0.61 -0.20 0.78 2.80 0.00 0.00 179.97 183.70 1jcq h GLY 85 N 0.60 0.00 2.00 2.80 0.00 -0.71 -3.02 103.07 104.74 1jcq h GLY 85 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1jcq h GLY 85 CO -0.01 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.43 1jcq n LEU 86 N -3.43 0.18 -0.06 3.11 7.94 -0.66 -3.82 117.00 120.27 1jcq n LEU 86 Ca -0.00 0.54 -0.11 0.00 -1.11 0.00 0.00 56.01 55.32 1jcq n LEU 86 Cb 0.39 -0.51 -0.05 0.00 0.53 0.00 0.00 43.42 43.79 1jcq n LEU 86 CO 0.32 -0.28 -0.91 -1.14 -1.11 0.00 0.00 177.39 174.28 1jcq n ARG 87 N -1.70 0.27 -3.91 1.96 3.00 -1.15 -5.07 116.66 110.06 1jcq n ARG 87 Ca 0.04 0.10 -0.08 0.00 -0.00 0.00 0.00 57.85 57.90 1jcq n ARG 87 Cb 0.22 -1.05 -0.08 0.00 0.00 0.00 0.00 32.46 31.55 1jcq n ARG 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1jcq s GLN 88 N -2.23 0.81 0.06 -0.14 0.74 -1.16 -5.17 119.66 112.57 1jcq s GLN 88 Ca -0.17 -1.02 -0.09 0.00 0.05 0.00 0.00 55.36 54.13 1jcq s GLN 88 Cb 0.06 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.49 1jcq s GLN 88 CO 0.24 -0.24 0.20 -0.51 -0.55 0.00 0.00 175.29 174.43 1jcq s LEU 89 N -2.88 1.34 0.74 3.68 1.43 -1.26 -4.26 118.68 117.47 1jcq s LEU 89 Ca 0.06 -0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 1jcq s LEU 89 Cb 0.05 1.03 0.03 0.00 0.03 0.00 0.00 46.19 47.34 1jcq s LEU 89 CO -0.10 -0.64 1.10 0.42 0.23 0.00 0.00 176.35 177.36 1jcq s THR 90 N -3.16 3.26 -1.89 5.49 -4.23 -1.26 -4.91 115.64 108.93 1jcq s THR 90 Ca -0.00 0.41 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 1jcq s THR 90 Cb 0.02 -3.34 0.30 0.00 1.34 0.00 0.00 72.50 70.82 1jcq s THR 90 CO -0.07 -0.53 1.13 -0.90 -0.54 0.00 0.00 174.62 173.71 1jcq n ASP 91 N -3.15 0.00 0.24 3.99 5.75 -1.26 -0.46 116.55 121.66 1jcq n ASP 91 Ca 0.07 -0.26 0.16 0.00 -0.01 0.00 0.00 54.79 54.74 1jcq n ASP 91 Cb 0.57 -0.05 0.61 0.00 -1.03 0.00 0.00 41.12 41.22 1jcq n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jcq h ALA 92 N 2.67 1.00 -0.36 2.12 0.00 -2.06 -1.90 119.26 120.73 1jcq h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jcq h ALA 92 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jcq h ALA 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1jcq n TYR 93 N -2.88 1.01 0.18 0.00 4.02 0.39 -4.19 117.16 115.69 1jcq n TYR 93 Ca 0.01 -0.38 0.02 0.00 -0.01 0.00 0.00 57.90 57.55 1jcq n TYR 93 Cb 0.30 -0.24 0.32 0.00 -0.02 0.00 0.00 39.34 39.70 1jcq n TYR 93 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1jcq h GLU 94 N 2.35 0.00 0.00 -0.72 5.08 -1.52 -2.48 114.58 117.30 1jcq h GLU 94 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jcq h GLU 94 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1jcq h GLU 94 CO 0.20 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 1jcq n LEU 96 N -2.37 4.85 0.28 0.00 4.77 -0.93 -4.61 117.00 119.00 1jcq n LEU 96 Ca 0.01 -3.40 0.17 0.00 -0.03 0.00 0.00 56.01 52.76 1jcq n LEU 96 Cb 0.17 -0.66 0.81 0.00 -2.33 0.00 0.00 43.42 41.41 1jcq n LEU 96 CO 0.17 0.95 1.02 -0.78 -1.33 0.00 0.00 177.39 177.42 1jcq h ASP 97 N 1.66 0.00 -0.45 -1.43 3.58 -1.52 -1.54 116.42 116.72 1jcq h ASP 97 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1jcq h ASP 97 Cb 1.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.96 1jcq h ASP 97 CO 0.51 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 1jcq n ALA 98 N -2.15 3.19 -2.00 -0.78 0.00 -1.26 -4.40 120.51 113.12 1jcq n ALA 98 Ca -0.01 -1.91 0.03 0.00 0.00 0.00 0.00 53.44 51.56 1jcq n ALA 98 Cb 0.24 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 18.87 1jcq n ALA 98 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jcq n SER 99 N 0.32 0.86 -0.31 0.00 7.64 -0.58 -4.13 113.62 117.42 1jcq n SER 99 Ca 0.23 -2.37 0.04 0.00 1.01 0.00 0.00 58.87 57.78 1jcq n SER 99 Cb 0.94 -0.30 0.24 0.00 -1.01 0.00 0.00 64.21 64.07 1jcq n SER 99 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1jcq h ARG 100 N 0.46 1.01 0.00 1.43 3.08 -1.24 0.03 114.38 119.15 1jcq h ARG 100 Ca -0.08 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1jcq h ARG 100 Cb 1.47 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1jcq h ARG 100 CO 0.03 0.67 -0.05 -1.35 -1.07 0.00 0.00 179.97 178.20 1jcq h PRO 101 N 1.04 0.00 -0.32 0.04 0.11 -1.85 -0.96 132.00 130.06 1jcq h PRO 101 Ca 0.39 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.33 1jcq h PRO 101 Cb 0.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1jcq h PRO 101 CO -0.15 0.05 -0.48 -1.49 -0.21 0.00 0.00 178.00 175.72 1jcq h TRP 102 N 0.00 1.06 -0.77 0.65 4.06 -1.30 -1.03 115.95 118.62 1jcq h TRP 102 Ca -0.00 -0.35 -0.02 0.00 2.06 0.00 0.00 58.89 60.58 1jcq h TRP 102 Cb 0.32 -0.21 -0.04 0.00 -1.00 0.00 0.00 29.16 28.23 1jcq h TRP 102 CO 0.00 1.17 0.42 -0.07 -3.56 0.00 0.00 178.44 176.40 1jcq h LEU 103 N 0.68 0.96 -0.17 -4.49 3.38 -0.95 0.29 115.31 115.03 1jcq h LEU 103 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1jcq h LEU 103 Cb 1.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1jcq h LEU 103 CO 0.11 0.79 0.08 0.00 0.09 0.00 0.00 178.44 179.51 1jcq h TYR 105 N 0.14 0.20 -0.20 0.00 3.20 -0.64 -0.37 116.97 119.31 1jcq h TYR 105 Ca 0.06 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1jcq h TYR 105 Cb 0.11 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 1jcq h TYR 105 CO -0.03 0.39 -0.14 -1.49 -1.64 0.00 0.00 178.16 175.25 1jcq h TRP 106 N -0.04 -0.36 -0.05 -3.82 6.55 -0.40 -0.26 115.95 117.57 1jcq h TRP 106 Ca 0.03 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 1jcq h TRP 106 Cb 0.30 0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.78 1jcq h TRP 106 CO 0.02 -0.21 0.01 0.82 -1.05 0.00 0.00 178.44 178.02 1jcq h ILE 107 N -0.14 1.22 -0.66 1.49 2.04 -1.33 -1.73 117.51 118.40 1jcq h ILE 107 Ca 0.12 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1jcq h ILE 107 Cb 0.32 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1jcq h ILE 107 CO -0.28 0.18 0.26 -0.07 0.00 0.00 0.00 178.15 178.24 1jcq h LEU 108 N -0.18 0.92 -0.83 1.44 3.38 -0.97 -0.87 115.31 118.20 1jcq h LEU 108 Ca 0.01 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1jcq h LEU 108 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jcq h LEU 108 CO 0.00 0.84 -0.15 -0.74 0.09 0.00 0.00 178.44 178.49 1jcq h HIS 109 N 0.93 0.79 -0.22 1.13 2.76 -1.07 0.35 115.15 119.83 1jcq h HIS 109 Ca 0.22 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1jcq h HIS 109 Cb 0.22 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1jcq h HIS 109 CO 0.01 0.82 0.02 0.77 -1.30 0.00 0.00 177.93 178.25 1jcq h SER 110 N 0.64 0.36 -0.88 3.26 0.02 -0.99 0.20 113.55 116.16 1jcq h SER 110 Ca 0.11 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1jcq h SER 110 Cb 0.61 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 1jcq h SER 110 CO 0.04 0.56 0.49 -0.07 -1.14 0.00 0.00 176.83 176.71 1jcq h LEU 111 N 0.15 1.10 -0.69 5.07 3.38 -1.00 -1.62 115.31 121.71 1jcq h LEU 111 Ca 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jcq h LEU 111 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jcq h LEU 111 CO 0.01 0.88 0.45 -0.08 0.09 0.00 0.00 178.44 179.79 1jcq h GLU 112 N 1.24 0.91 -0.22 1.13 4.81 -0.60 -0.75 114.58 121.09 1jcq h GLU 112 Ca 0.31 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1jcq h GLU 112 Cb 0.02 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1jcq h GLU 112 CO -0.05 0.61 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.51 1jcq h LEU 113 N 0.93 0.42 -0.16 1.64 3.38 -0.41 -2.40 115.31 118.72 1jcq h LEU 113 Ca 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jcq h LEU 113 Cb -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1jcq h LEU 113 CO -0.05 0.68 -0.02 0.18 0.09 0.00 0.00 178.44 179.32 1jcq n LEU 114 N -4.12 0.27 -2.12 1.67 4.77 -0.66 -0.18 117.00 116.63 1jcq n LEU 114 Ca -0.01 0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1jcq n LEU 114 Cb 0.40 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1jcq n LEU 114 CO 0.42 0.05 -0.24 -0.67 -1.33 0.00 0.00 177.39 175.61 1jcq n ASP 115 N -0.92 -5.54 -4.70 -1.43 2.03 -0.41 -4.96 116.55 100.62 1jcq n ASP 115 Ca 0.19 0.04 -0.38 0.00 0.52 0.00 0.00 54.79 55.16 1jcq n ASP 115 Cb 0.20 -4.60 -0.06 0.00 -0.72 0.00 0.00 41.12 35.94 1jcq n ASP 115 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1jcq s GLU 116 N -4.81 4.28 0.68 -0.67 0.41 -0.48 -5.02 118.70 113.10 1jcq s GLU 116 Ca 0.00 0.40 -0.11 0.00 -0.41 0.00 0.00 54.97 54.84 1jcq s GLU 116 Cb 0.00 -3.48 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 1jcq s GLU 116 CO 0.00 0.07 1.06 -1.25 -0.49 0.00 0.00 175.26 174.65 1jcq s PRO 117 N 0.94 2.96 -0.32 0.39 0.04 -1.26 -4.33 135.00 133.42 1jcq s PRO 117 Ca 0.24 1.00 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 1jcq s PRO 117 Cb -0.15 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jcq s PRO 117 CO 0.10 -1.09 0.20 0.42 0.04 0.00 0.00 177.00 176.67 1jcq s ILE 118 N -2.95 5.08 0.26 0.56 -1.09 -1.26 -5.06 121.20 116.74 1jcq s ILE 118 Ca 0.59 -0.18 -0.31 0.00 -2.23 0.00 0.00 60.65 58.52 1jcq s ILE 118 Cb -0.14 -3.55 -0.12 0.00 -1.58 0.00 0.00 42.46 37.06 1jcq s ILE 118 CO 0.52 0.08 1.65 -2.65 -1.23 0.00 0.00 174.94 173.31 1jcq n PRO 119 N 5.06 2.73 0.16 2.79 -0.02 -1.26 -4.77 135.00 139.69 1jcq n PRO 119 Ca -0.13 0.98 0.19 0.00 -2.02 0.00 0.00 63.50 62.51 1jcq n PRO 119 Cb 0.50 -2.79 0.75 0.00 -0.02 0.00 0.00 33.50 31.94 1jcq n PRO 119 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1jcq h GLN 120 N 5.56 0.00 -0.19 -0.52 4.20 -1.98 0.92 115.11 123.10 1jcq h GLN 120 Ca -0.45 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 1jcq h GLN 120 Cb 1.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1jcq h GLN 120 CO 0.86 0.00 -0.29 0.82 -0.67 0.00 0.00 178.83 179.55 1jcq h ILE 121 N 0.00 1.34 -0.37 2.54 2.04 -1.99 -2.16 117.51 118.90 1jcq h ILE 121 Ca 0.14 -1.51 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1jcq h ILE 121 Cb 1.01 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 1jcq h ILE 121 CO -0.00 0.46 -0.26 0.58 0.00 0.00 0.00 178.15 178.93 1jcq h VAL 122 N 0.19 1.28 -0.13 1.67 2.07 -1.26 -1.35 116.25 118.72 1jcq h VAL 122 Ca 0.02 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1jcq h VAL 122 Cb 0.87 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1jcq h VAL 122 CO 0.07 0.47 -0.10 0.00 0.02 0.00 0.00 177.57 178.03 1jcq h ALA 123 N 0.78 0.01 -0.43 1.67 0.00 -1.13 0.91 119.26 121.06 1jcq h ALA 123 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1jcq h ALA 123 Cb 0.83 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1jcq h ALA 123 CO 0.07 -0.55 0.13 1.79 0.00 0.00 0.00 179.25 180.70 1jcq h THR 124 N -0.10 1.22 -0.58 0.00 1.35 -1.35 -0.69 112.91 112.75 1jcq h THR 124 Ca 0.08 -0.73 0.05 0.00 -0.55 0.00 0.00 66.41 65.26 1jcq h THR 124 Cb 0.22 0.88 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 1jcq h THR 124 CO -0.19 0.26 0.32 0.44 -0.25 0.00 0.00 175.52 176.10 1jcq h ASP 125 N 0.55 0.48 -0.35 5.36 3.45 -0.79 0.64 116.42 125.76 1jcq h ASP 125 Ca 0.14 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 1jcq h ASP 125 Cb 0.26 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1jcq h ASP 125 CO -0.00 0.32 0.18 0.58 -1.57 0.00 0.00 179.24 178.75 1jcq h VAL 126 N 0.61 1.15 -0.25 -1.35 2.07 -0.59 -0.91 116.25 116.98 1jcq h VAL 126 Ca 0.26 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1jcq h VAL 126 Cb 0.13 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 1jcq h VAL 126 CO -0.16 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 1jcq h GLN 128 N -0.07 0.83 -0.13 0.00 1.08 -0.61 -1.36 115.11 114.85 1jcq h GLN 128 Ca 0.13 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1jcq h GLN 128 Cb 0.27 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1jcq h GLN 128 CO -0.30 0.55 0.09 0.35 -0.95 0.00 0.00 178.83 178.56 1jcq h PHE 129 N 0.86 0.17 0.00 2.96 3.57 -0.42 -1.77 116.94 122.31 1jcq h PHE 129 Ca 0.30 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1jcq h PHE 129 Cb 0.05 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1jcq h PHE 129 CO -0.04 0.11 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.99 1jcq h LEU 130 N 0.17 0.00 -0.60 0.59 3.38 -0.78 -0.68 115.31 117.38 1jcq h LEU 130 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1jcq h LEU 130 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1jcq h LEU 130 CO -0.01 0.09 -0.02 -0.08 0.09 0.00 0.00 178.44 178.51 1jcq h GLU 131 N 0.00 1.08 0.00 1.13 4.81 -0.44 -1.59 114.58 119.57 1jcq h GLU 131 Ca -0.00 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1jcq h GLU 131 Cb 0.17 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1jcq h GLU 131 CO 0.01 1.06 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.17 1jcq h LEU 132 N 0.98 0.00 0.00 1.64 3.38 -0.42 -1.85 115.31 119.04 1jcq h LEU 132 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jcq h LEU 132 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jcq h LEU 132 CO 0.03 0.11 -0.65 0.00 0.09 0.00 0.00 178.44 178.02 1jcq s GLN 134 N -3.25 4.32 0.51 0.00 0.74 -0.66 -0.88 119.66 120.43 1jcq s GLN 134 Ca 0.04 1.82 -0.19 0.00 0.05 0.00 0.00 55.36 57.08 1jcq s GLN 134 Cb 0.11 -3.56 -0.08 0.00 1.10 0.00 0.00 33.01 30.58 1jcq s GLN 134 CO 0.73 -0.51 1.03 0.45 -0.55 0.00 0.00 175.29 176.44 1jcq s SER 135 N 1.68 6.30 0.47 6.67 0.15 -0.36 -4.94 113.70 123.66 1jcq s SER 135 Ca 0.60 1.86 0.31 0.00 0.70 0.00 0.00 55.95 59.41 1jcq s SER 135 Cb -0.28 -2.55 1.29 0.00 -1.71 0.00 0.00 66.02 62.77 1jcq s SER 135 CO 0.24 -0.81 1.91 1.55 1.20 0.00 0.00 173.24 177.33 1jcq h PRO 136 N 1.31 0.00 -0.01 5.44 0.13 -1.95 -2.49 132.00 134.43 1jcq h PRO 136 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1jcq h PRO 136 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jcq h PRO 136 CO 0.59 0.00 -0.20 -0.85 -0.23 0.00 0.00 178.00 177.31 1jcq n GLU 137 N -2.83 0.97 0.00 0.86 0.28 -1.26 -4.99 120.64 113.68 1jcq n GLU 137 Ca 0.01 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.46 1jcq n GLU 137 Cb 0.27 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.65 1jcq n GLU 137 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jcq n GLY 138 N 1.30 2.68 0.00 -1.84 0.00 -0.94 -4.21 105.19 102.19 1jcq n GLY 138 Ca 0.14 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1jcq n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcq n GLY 139 N 0.73 -1.50 3.25 -0.02 0.00 -1.26 -4.46 105.19 101.94 1jcq n GLY 139 Ca 0.00 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 1jcq n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jcq s PHE 140 N -1.73 2.23 0.69 1.61 0.40 -1.26 -1.23 117.98 118.69 1jcq s PHE 140 Ca 0.00 -0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1jcq s PHE 140 Cb 0.00 -1.45 0.09 0.00 0.51 0.00 0.00 43.02 42.17 1jcq s PHE 140 CO 0.00 -0.13 0.96 0.20 0.70 0.00 0.00 175.22 176.95 1jcq s GLY 141 N -0.31 1.77 0.00 4.36 0.00 -0.06 -1.88 107.32 111.20 1jcq s GLY 141 Ca 0.02 -1.39 0.24 0.00 0.00 0.00 0.00 44.72 43.60 1jcq s GLY 141 CO 0.02 -0.92 1.82 0.61 0.00 0.00 0.00 173.10 174.62 1jcq n GLY 142 N -2.79 -0.86 0.00 0.20 0.00 -1.26 -4.72 105.19 95.76 1jcq n GLY 142 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1jcq n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcq n GLY 143 N 0.60 0.56 3.68 -0.02 0.00 -1.26 -1.45 105.19 107.29 1jcq n GLY 143 Ca 0.16 -0.76 -0.51 0.00 0.00 0.00 0.00 46.02 44.92 1jcq n GLY 143 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jcq n PRO 144 N -0.05 1.85 -0.24 1.61 -0.02 -1.26 -1.38 135.00 135.51 1jcq n PRO 144 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1jcq n PRO 144 Cb 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 1jcq n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcq n GLY 145 N 4.08 1.20 3.86 -1.23 0.00 -1.26 -5.03 105.19 106.82 1jcq n GLY 145 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1jcq n GLY 145 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jcq s GLN 146 N -0.48 3.84 0.68 1.61 -0.21 -0.48 -5.04 119.66 119.58 1jcq s GLN 146 Ca 0.00 0.62 -0.16 0.00 0.02 0.00 0.00 55.36 55.84 1jcq s GLN 146 Cb 0.00 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.70 1jcq s GLN 146 CO 0.00 -0.09 1.18 0.71 -2.12 0.00 0.00 175.29 174.97 1jcq s TYR 147 N -2.42 2.28 0.58 0.91 4.12 -1.26 -4.28 117.35 117.28 1jcq s TYR 147 Ca 0.54 1.57 -0.19 0.00 0.02 0.00 0.00 57.07 59.01 1jcq s TYR 147 Cb -0.10 -3.39 -0.04 0.00 -1.52 0.00 0.00 41.96 36.91 1jcq s TYR 147 CO 0.30 -2.27 1.20 -2.14 0.02 0.00 0.00 175.55 172.67 1jcq s PRO 148 N -3.84 3.04 -0.16 -1.71 0.02 -1.26 -3.95 135.00 127.14 1jcq s PRO 148 Ca 0.73 1.81 -0.09 0.00 0.02 0.00 0.00 61.00 63.47 1jcq s PRO 148 Cb -0.27 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.35 1jcq s PRO 148 CO 0.42 -1.15 0.38 -1.58 -0.33 0.00 0.00 177.00 174.74 1jcq s HIS 149 N -1.60 -0.53 0.37 6.54 2.46 -0.79 -4.59 115.29 117.16 1jcq s HIS 149 Ca 0.76 1.17 0.14 0.00 0.47 0.00 0.00 55.06 57.60 1jcq s HIS 149 Cb -0.30 0.21 0.96 0.00 -0.13 0.00 0.00 32.58 33.33 1jcq s HIS 149 CO 0.33 -0.30 1.81 -0.07 -2.47 0.00 0.00 174.74 174.03 1jcq h LEU 150 N 6.83 0.55 0.48 8.88 3.38 -1.12 -1.66 115.31 132.66 1jcq h LEU 150 Ca -0.35 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1jcq h LEU 150 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1jcq h LEU 150 CO 0.30 0.19 -0.23 0.00 0.09 0.00 0.00 178.44 178.79 1jcq h ALA 151 N 1.62 -0.64 0.00 1.53 0.00 -1.92 -0.33 119.26 119.52 1jcq h ALA 151 Ca 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1jcq h ALA 151 Cb 1.14 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1jcq h ALA 151 CO -0.27 -0.72 -0.02 -1.00 0.00 0.00 0.00 179.25 177.23 1jcq h PRO 152 N -0.91 0.00 -0.37 0.00 0.13 -1.76 -1.29 132.00 127.79 1jcq h PRO 152 Ca -0.07 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 1jcq h PRO 152 Cb 0.59 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 1jcq h PRO 152 CO 0.11 0.02 -0.06 1.15 -0.23 0.00 0.00 178.00 179.00 1jcq h THR 153 N 0.00 1.27 -0.16 1.56 2.02 -1.09 0.13 112.91 116.64 1jcq h THR 153 Ca -0.00 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1jcq h THR 153 Cb 0.32 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1jcq h THR 153 CO 0.00 0.37 0.09 0.22 0.37 0.00 0.00 175.52 176.57 1jcq h TYR 154 N 0.50 0.22 -0.38 3.16 3.20 -0.40 -1.35 116.97 121.92 1jcq h TYR 154 Ca 0.10 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1jcq h TYR 154 Cb 0.55 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1jcq h TYR 154 CO 0.05 0.23 0.25 0.00 -1.64 0.00 0.00 178.16 177.04 1jcq h ALA 155 N 0.98 0.49 -0.44 1.82 0.00 -1.07 -1.39 119.26 119.64 1jcq h ALA 155 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1jcq h ALA 155 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jcq h ALA 155 CO -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.23 1jcq h ALA 156 N 1.14 0.58 -0.76 0.00 0.00 -0.65 -0.46 119.26 119.11 1jcq h ALA 156 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1jcq h ALA 156 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1jcq h ALA 156 CO -0.03 0.33 0.25 0.28 0.00 0.00 0.00 179.25 180.08 1jcq h VAL 157 N 0.59 1.26 -0.41 0.00 2.07 -1.09 -1.19 116.25 117.49 1jcq h VAL 157 Ca 0.13 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1jcq h VAL 157 Cb 0.42 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1jcq h VAL 157 CO 0.01 0.36 0.03 0.78 0.02 0.00 0.00 177.57 178.77 1jcq h ASN 158 N 1.13 0.68 -0.39 0.57 4.21 -1.04 -1.11 115.58 119.64 1jcq h ASN 158 Ca 0.25 -0.29 0.03 0.00 1.21 0.00 0.00 56.30 57.50 1jcq h ASN 158 Cb 0.29 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.28 1jcq h ASN 158 CO -0.01 0.80 0.19 0.00 -1.29 0.00 0.00 177.43 177.12 1jcq h ALA 159 N 0.91 0.48 -0.88 -0.83 0.00 -0.83 0.15 119.26 118.26 1jcq h ALA 159 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jcq h ALA 159 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1jcq h ALA 159 CO 0.02 -0.17 0.58 -0.07 0.00 0.00 0.00 179.25 179.60 1jcq h LEU 160 N 0.39 1.00 -0.40 0.00 3.38 -1.03 -0.91 115.31 117.74 1jcq h LEU 160 Ca 0.16 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1jcq h LEU 160 Cb 0.07 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jcq h LEU 160 CO -0.12 0.71 -0.56 0.00 0.09 0.00 0.00 178.44 178.57 1jcq h ILE 162 N 0.54 1.23 -0.45 0.00 2.04 -0.06 -1.54 117.51 119.27 1jcq h ILE 162 Ca 0.01 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1jcq h ILE 162 Cb 1.14 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1jcq h ILE 162 CO 0.12 0.25 -0.03 0.40 0.00 0.00 0.00 178.15 178.89 1jcq h ILE 163 N 1.15 1.24 0.00 -0.67 2.04 -0.95 -3.47 117.51 116.85 1jcq h ILE 163 Ca 0.30 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1jcq h ILE 163 Cb -0.02 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1jcq h ILE 163 CO -0.05 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.06 1jcq n GLY 164 N -0.62 0.47 3.84 5.37 0.00 -0.58 -4.98 105.19 108.69 1jcq n GLY 164 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1jcq n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jcq s THR 165 N -1.65 4.54 0.46 2.61 -4.23 -1.26 -4.90 115.64 111.22 1jcq s THR 165 Ca 0.00 1.18 0.20 0.00 -1.18 0.00 0.00 61.69 61.89 1jcq s THR 165 Cb 0.00 -3.70 0.24 0.00 1.34 0.00 0.00 72.50 70.38 1jcq s THR 165 CO 0.00 -0.59 2.06 -0.33 -0.54 0.00 0.00 174.62 175.21 1jcq h GLU 166 N 1.16 0.00 -0.66 3.99 5.08 -1.97 -0.34 114.58 121.84 1jcq h GLU 166 Ca -0.47 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1jcq h GLU 166 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1jcq h GLU 166 CO 0.62 0.13 0.42 1.49 -1.00 0.00 0.00 179.01 180.67 1jcq h GLU 167 N 0.00 0.82 0.20 2.33 4.81 -1.98 0.19 114.58 120.95 1jcq h GLU 167 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1jcq h GLU 167 Cb 0.27 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1jcq h GLU 167 CO 0.02 0.54 -0.10 0.00 -0.73 0.00 0.00 179.01 178.74 1jcq h ALA 168 N 1.27 -0.27 -0.87 2.92 0.00 -1.50 -3.11 119.26 117.69 1jcq h ALA 168 Ca 0.26 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.13 1jcq h ALA 168 Cb -0.03 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 1jcq h ALA 168 CO -0.08 -0.44 0.44 1.88 0.00 0.00 0.00 179.25 181.05 1jcq h TYR 169 N -0.69 0.77 0.00 0.00 0.99 -0.90 -1.70 116.97 115.44 1jcq h TYR 169 Ca -0.03 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1jcq h TYR 169 Cb 0.49 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 38.01 1jcq h TYR 169 CO 0.05 0.14 0.00 -0.44 -0.00 0.00 0.00 178.16 177.90 1jcq h ASP 170 N 0.59 0.00 0.15 3.88 3.32 -0.97 -3.08 116.42 120.30 1jcq h ASP 170 Ca 0.50 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.51 1jcq h ASP 170 Cb 0.77 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1jcq h ASP 170 CO -0.40 0.00 -0.16 0.40 -1.72 0.00 0.00 179.24 177.35 1jcq h ILE 171 N 0.00 1.13 -2.63 0.35 2.04 -1.23 -3.42 117.51 113.76 1jcq h ILE 171 Ca 0.00 -0.62 -0.56 0.00 1.00 0.00 0.00 64.86 64.67 1jcq h ILE 171 Cb 0.51 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1jcq h ILE 171 CO 0.00 0.18 1.19 -0.63 0.00 0.00 0.00 178.15 178.89 1jcq s ILE 172 N -4.67 3.53 -0.85 -0.67 1.01 -1.17 -4.92 121.20 113.46 1jcq s ILE 172 Ca -0.04 0.59 -0.22 0.00 0.00 0.00 0.00 60.65 60.98 1jcq s ILE 172 Cb 0.16 -3.55 0.07 0.00 0.01 0.00 0.00 42.46 39.15 1jcq s ILE 172 CO 0.70 -0.23 1.20 0.21 0.00 0.00 0.00 174.94 176.82 1jcq s ASN 173 N 4.83 6.39 0.25 3.58 3.84 -1.26 -4.88 114.94 127.69 1jcq s ASN 173 Ca 0.77 -1.31 -0.02 0.00 0.21 0.00 0.00 52.86 52.51 1jcq s ASN 173 Cb -0.28 -2.48 0.32 0.00 -0.55 0.00 0.00 41.25 38.26 1jcq s ASN 173 CO 0.31 -1.43 1.74 0.03 -2.79 0.00 0.00 177.10 174.97 1jcq h ARG 174 N 9.52 0.78 -0.42 0.43 3.08 -1.94 -1.35 114.38 124.47 1jcq h ARG 174 Ca -0.03 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 1jcq h ARG 174 Cb 1.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1jcq h ARG 174 CO 1.25 0.81 0.18 0.93 -1.07 0.00 0.00 179.97 182.07 1jcq h GLU 175 N 0.72 0.62 -0.06 0.04 3.07 -1.96 -1.52 114.58 115.49 1jcq h GLU 175 Ca 0.14 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 1jcq h GLU 175 Cb 0.49 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1jcq h GLU 175 CO 0.02 0.56 -0.71 0.87 -1.40 0.00 0.00 179.01 178.35 1jcq h LYS 176 N 0.53 0.29 -0.66 2.33 1.79 -1.88 -2.60 116.57 116.36 1jcq h LYS 176 Ca 0.14 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1jcq h LYS 176 Cb 0.16 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 1jcq h LYS 176 CO -0.01 0.88 0.39 1.25 -1.08 0.00 0.00 179.45 180.88 1jcq h LEU 177 N 0.20 0.81 -0.15 2.94 5.85 -0.98 0.22 115.31 124.19 1jcq h LEU 177 Ca -0.02 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1jcq h LEU 177 Cb 1.27 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1jcq h LEU 177 CO 0.11 0.64 0.00 0.25 -0.34 0.00 0.00 178.44 179.10 1jcq h LEU 178 N 0.90 0.26 -0.85 2.25 5.85 -1.23 -1.49 115.31 121.01 1jcq h LEU 178 Ca 0.24 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1jcq h LEU 178 Cb -0.01 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1jcq h LEU 178 CO -0.04 0.50 0.51 1.56 -0.34 0.00 0.00 178.44 180.63 1jcq h GLN 179 N 0.01 0.85 -0.07 1.25 4.20 -1.13 -1.47 115.11 118.75 1jcq h GLN 179 Ca 0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jcq h GLN 179 Cb 0.37 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1jcq h GLN 179 CO 0.01 0.56 0.05 -0.92 -0.67 0.00 0.00 178.83 177.85 1jcq h TYR 180 N 0.87 0.09 -0.60 2.96 3.20 -0.36 -0.68 116.97 122.45 1jcq h TYR 180 Ca 0.40 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.34 1jcq h TYR 180 Cb 0.31 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 1jcq h TYR 180 CO -0.05 0.07 0.28 -0.07 -1.64 0.00 0.00 178.16 176.75 1jcq h LEU 181 N 0.09 0.37 -0.86 2.82 3.38 -0.66 -1.29 115.31 119.16 1jcq h LEU 181 Ca 0.03 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1jcq h LEU 181 Cb -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1jcq h LEU 181 CO -0.01 0.24 0.52 1.88 0.09 0.00 0.00 178.44 181.17 1jcq h TYR 182 N 0.52 0.96 0.00 1.13 -1.99 -0.80 -0.39 116.97 116.41 1jcq h TYR 182 Ca 0.28 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.04 1jcq h TYR 182 Cb 0.25 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.67 1jcq h TYR 182 CO -0.12 0.46 0.00 -1.13 -0.00 0.00 0.00 178.16 177.37 1jcq n SER 183 N -4.65 0.46 -0.17 3.88 3.41 -0.30 -1.87 113.62 114.37 1jcq n SER 183 Ca 0.13 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.45 1jcq n SER 183 Cb 0.22 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 1jcq n SER 183 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jcq n LEU 184 N -2.04 1.07 -4.70 1.04 4.77 -0.21 -4.96 117.00 111.97 1jcq n LEU 184 Ca 0.01 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.91 1jcq n LEU 184 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1jcq n LEU 184 CO 0.14 0.22 1.01 -0.75 -1.33 0.00 0.00 177.39 176.67 1jcq s LYS 185 N -1.84 4.35 0.20 3.23 2.47 -0.78 -1.37 119.74 126.00 1jcq s LYS 185 Ca 0.08 1.89 -0.00 0.00 -1.56 0.00 0.00 55.97 56.38 1jcq s LYS 185 Cb 0.10 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 33.01 1jcq s LYS 185 CO 0.40 -0.42 0.37 -0.65 0.16 0.00 0.00 175.35 175.21 1jcq s GLN 186 N 1.64 3.50 0.46 4.03 -1.52 0.19 -4.98 119.66 122.99 1jcq s GLN 186 Ca 0.61 -0.39 0.11 0.00 -1.95 0.00 0.00 55.36 53.75 1jcq s GLN 186 Cb -0.31 -2.86 1.04 0.00 -0.22 0.00 0.00 33.01 30.66 1jcq s GLN 186 CO 0.28 0.42 2.09 -1.35 -0.25 0.00 0.00 175.29 176.47 1jcq h PRO 187 N 1.99 0.26 0.00 2.91 0.11 -1.96 -2.43 132.00 132.89 1jcq h PRO 187 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jcq h PRO 187 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jcq h PRO 187 CO 0.68 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1jcq n ASP 188 N -4.48 0.00 0.00 -2.05 3.85 -1.26 -4.88 116.55 107.72 1jcq n ASP 188 Ca -0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 54.79 52.64 1jcq n ASP 188 Cb 0.09 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.86 1jcq n ASP 188 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jcq n GLY 189 N 0.74 1.86 3.96 6.12 0.00 -0.91 -4.53 105.19 112.43 1jcq n GLY 189 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1jcq n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jcq s SER 190 N -1.53 4.02 0.06 1.61 1.04 -1.26 -3.65 113.70 113.99 1jcq s SER 190 Ca 0.00 -0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1jcq s SER 190 Cb 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 1jcq s SER 190 CO 0.00 -2.10 -0.11 -0.36 0.98 0.00 0.00 173.24 171.64 1jcq s PHE 191 N -3.40 0.97 0.41 5.02 0.40 -1.26 -0.64 117.98 119.48 1jcq s PHE 191 Ca 0.68 -0.48 -0.18 0.00 -0.60 0.00 0.00 56.93 56.35 1jcq s PHE 191 Cb -0.06 -0.56 -0.10 0.00 0.51 0.00 0.00 43.02 42.82 1jcq s PHE 191 CO 0.47 -0.01 0.88 -0.51 0.70 0.00 0.00 175.22 176.76 1jcq s LEU 192 N -1.67 3.92 0.41 -0.37 1.43 -0.47 -4.32 118.68 117.61 1jcq s LEU 192 Ca -0.06 1.51 0.21 0.00 -1.03 0.00 0.00 54.13 54.76 1jcq s LEU 192 Cb -0.10 -4.37 0.83 0.00 0.03 0.00 0.00 46.19 42.58 1jcq s LEU 192 CO 0.01 -0.35 1.80 0.24 0.23 0.00 0.00 176.35 178.28 1jcq h MET 193 N 1.81 0.00 -2.16 1.70 2.86 -0.97 -3.46 114.93 114.71 1jcq h MET 193 Ca -0.48 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.35 1jcq h MET 193 Cb 1.18 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.73 1jcq h MET 193 CO 0.63 0.31 0.55 -3.38 1.06 0.00 0.00 176.91 176.07 1jcq s HIS 194 N -3.72 -0.17 -0.00 -0.22 0.00 -1.26 -0.55 115.29 109.37 1jcq s HIS 194 Ca -0.00 -0.06 -0.33 0.00 -3.00 0.00 0.00 55.06 51.66 1jcq s HIS 194 Cb 0.11 0.60 -0.12 0.00 -4.00 0.00 0.00 32.58 29.17 1jcq s HIS 194 CO 0.66 -0.65 1.83 0.28 -1.00 0.00 0.00 174.74 175.86 1jcq n VAL 195 N -0.41 0.47 -1.69 -5.38 0.31 -1.26 -0.03 118.33 110.33 1jcq n VAL 195 Ca -0.07 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.08 1jcq n VAL 195 Cb 0.61 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1jcq n VAL 195 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jcq n GLY 196 N 4.21 0.62 3.87 2.92 0.00 -1.26 -5.00 105.19 110.54 1jcq n GLY 196 Ca 0.21 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1jcq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jcq s GLY 197 N -2.74 2.36 0.82 -0.02 0.00 0.95 -5.10 107.32 103.59 1jcq s GLY 197 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.17 1jcq s GLY 197 CO 0.00 -1.91 1.10 -1.83 0.00 0.00 0.00 173.10 170.45 1jcq s GLU 198 N -4.18 1.90 -0.09 2.90 1.03 -1.26 -4.51 118.70 114.48 1jcq s GLU 198 Ca 0.36 1.12 0.03 0.00 0.03 0.00 0.00 54.97 56.51 1jcq s GLU 198 Cb -0.01 -1.86 0.01 0.00 -0.80 0.00 0.00 34.13 31.46 1jcq s GLU 198 CO 0.22 -1.88 -0.19 0.08 -1.33 0.00 0.00 175.26 172.15 1jcq s VAL 199 N -2.89 1.69 0.21 1.83 1.01 -1.26 -0.42 120.40 120.57 1jcq s VAL 199 Ca 0.62 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1jcq s VAL 199 Cb -0.18 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1jcq s VAL 199 CO 0.56 0.48 0.85 1.51 0.00 0.00 0.00 175.10 178.50 1jcq s ASP 200 N 0.52 -0.22 0.58 3.32 1.47 -1.26 -4.88 116.67 116.19 1jcq s ASP 200 Ca -0.16 -0.48 0.32 0.00 1.18 0.00 0.00 52.55 53.41 1jcq s ASP 200 Cb -0.17 0.60 1.75 0.00 -0.34 0.00 0.00 42.92 44.76 1jcq s ASP 200 CO 0.06 -1.10 1.97 1.62 0.68 0.00 0.00 175.17 178.41 1jcq h VAL 201 N 2.00 0.00 -0.86 2.11 3.04 -0.95 -2.53 116.25 119.06 1jcq h VAL 201 Ca -0.22 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.53 1jcq h VAL 201 Cb 1.24 0.71 -0.06 0.00 -2.01 0.00 0.00 31.29 31.18 1jcq h VAL 201 CO 0.25 0.00 0.53 0.03 -1.01 0.00 0.00 177.57 177.37 1jcq h ARG 202 N 0.00 0.95 -0.93 4.17 3.08 -1.91 -2.12 114.38 117.61 1jcq h ARG 202 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1jcq h ARG 202 Cb 0.33 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1jcq h ARG 202 CO 0.00 0.63 0.59 0.66 -1.07 0.00 0.00 179.97 180.78 1jcq h SER 203 N 0.98 1.10 -0.37 7.04 4.64 -1.75 -0.41 113.55 124.78 1jcq h SER 203 Ca 0.37 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1jcq h SER 203 Cb 0.15 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1jcq h SER 203 CO -0.17 0.82 0.23 0.00 -0.87 0.00 0.00 176.83 176.85 1jcq h ALA 204 N 1.37 0.47 -0.28 5.18 0.00 -1.55 0.41 119.26 124.86 1jcq h ALA 204 Ca 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jcq h ALA 204 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jcq h ALA 204 CO -0.07 -0.05 0.06 -0.92 0.00 0.00 0.00 179.25 178.27 1jcq h TYR 205 N 0.49 0.49 -0.58 0.00 3.20 -1.21 -0.62 116.97 118.75 1jcq h TYR 205 Ca 0.13 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1jcq h TYR 205 Cb -0.02 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1jcq h TYR 205 CO -0.04 0.55 0.35 0.00 -1.64 0.00 0.00 178.16 177.38 1jcq h ALA 207 N 1.25 -0.08 -0.70 0.00 0.00 -0.80 -2.51 119.26 116.42 1jcq h ALA 207 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jcq h ALA 207 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1jcq h ALA 207 CO -0.10 -0.42 0.44 0.00 0.00 0.00 0.00 179.25 179.17 1jcq h ALA 208 N 0.58 1.46 0.77 0.00 0.00 -0.92 -0.34 119.26 120.81 1jcq h ALA 208 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1jcq h ALA 208 Cb 0.29 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1jcq h ALA 208 CO 0.01 0.48 -0.37 1.03 0.00 0.00 0.00 179.25 180.41 1jcq h SER 209 N 0.95 -0.87 -0.79 0.00 0.87 -0.77 -2.38 113.55 110.56 1jcq h SER 209 Ca 0.25 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1jcq h SER 209 Cb -0.07 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1jcq h SER 209 CO -0.05 -0.52 0.38 -0.37 -0.53 0.00 0.00 176.83 175.74 1jcq h VAL 210 N -1.24 1.25 -0.21 2.23 -1.51 -1.39 -1.94 116.25 113.43 1jcq h VAL 210 Ca -0.11 -0.70 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1jcq h VAL 210 Cb 0.79 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1jcq h VAL 210 CO 0.17 0.30 0.12 0.00 -1.23 0.00 0.00 177.57 176.93 1jcq h ALA 211 N 1.28 0.27 -0.14 5.19 0.00 -1.10 -1.41 119.26 123.35 1jcq h ALA 211 Ca 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1jcq h ALA 211 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jcq h ALA 211 CO -0.03 -0.20 -0.12 0.66 0.00 0.00 0.00 179.25 179.56 1jcq h SER 212 N 0.24 0.34 -0.56 0.00 4.64 -1.32 0.01 113.55 116.90 1jcq h SER 212 Ca 0.08 -0.46 0.05 0.00 -0.47 0.00 0.00 61.79 60.98 1jcq h SER 212 Cb 0.06 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1jcq h SER 212 CO -0.01 0.73 0.30 -0.07 -0.87 0.00 0.00 176.83 176.91 1jcq h LEU 213 N -0.05 0.44 -1.33 5.97 3.38 -1.32 -2.43 115.31 119.97 1jcq h LEU 213 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jcq h LEU 213 Cb 0.63 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1jcq h LEU 213 CO 0.03 0.29 0.00 0.35 0.09 0.00 0.00 178.44 179.20 1jcq n THR 214 N -4.85 0.37 -3.47 0.22 -2.24 -0.54 -4.15 114.28 99.63 1jcq n THR 214 Ca 0.06 -0.45 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 1jcq n THR 214 Cb 0.14 0.35 0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1jcq n THR 214 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jcq n ASN 215 N 0.53 -3.69 -0.13 3.42 5.15 -0.68 -4.89 115.26 114.96 1jcq n ASN 215 Ca 0.15 -0.75 0.06 0.00 -0.60 0.00 0.00 54.58 53.44 1jcq n ASN 215 Cb 0.34 -4.69 0.09 0.00 -0.53 0.00 0.00 39.78 34.99 1jcq n ASN 215 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1jcq n ILE 216 N -3.88 1.31 -2.49 -1.44 -5.35 -0.10 -4.32 119.36 103.08 1jcq n ILE 216 Ca -0.20 -1.54 -0.42 0.00 -0.27 0.00 0.00 62.75 60.32 1jcq n ILE 216 Cb 0.65 0.07 -0.03 0.00 -1.74 0.00 0.00 39.64 38.59 1jcq n ILE 216 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1jcq s ILE 217 N -1.91 4.33 0.34 7.28 1.01 -1.25 -4.87 121.20 126.13 1jcq s ILE 217 Ca 0.19 1.65 0.08 0.00 0.00 0.00 0.00 60.65 62.57 1jcq s ILE 217 Cb 0.17 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1jcq s ILE 217 CO 0.02 0.00 0.25 0.42 0.00 0.00 0.00 174.94 175.63 1jcq s THR 218 N 2.15 3.34 0.24 2.92 -4.23 -1.26 -5.03 115.64 113.76 1jcq s THR 218 Ca 0.55 -1.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.52 1jcq s THR 218 Cb -0.24 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.70 1jcq s THR 218 CO 0.21 -0.17 1.87 -0.65 -0.54 0.00 0.00 174.62 175.35 1jcq h PRO 219 N 1.33 1.01 0.00 3.99 0.11 -2.03 -2.97 132.00 133.44 1jcq h PRO 219 Ca -0.44 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1jcq h PRO 219 Cb 1.25 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1jcq h PRO 219 CO 0.60 0.67 -0.67 0.38 -0.21 0.00 0.00 178.00 178.77 1jcq h ASP 220 N 1.04 0.00 -0.83 -2.05 2.03 -1.99 -3.39 116.42 111.22 1jcq h ASP 220 Ca 0.35 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.83 1jcq h ASP 220 Cb 0.07 0.00 -0.16 0.00 -0.83 0.00 0.00 39.33 38.41 1jcq h ASP 220 CO -0.14 0.27 -0.16 0.25 -1.03 0.00 0.00 179.24 178.43 1jcq h LEU 221 N 0.00 -0.70 -3.53 0.15 5.85 -1.92 -1.13 115.31 114.03 1jcq h LEU 221 Ca -0.03 0.25 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 1jcq h LEU 221 Cb 1.24 0.49 -0.10 0.00 0.37 0.00 0.00 40.66 42.66 1jcq h LEU 221 CO 0.03 -0.27 0.13 0.49 -0.34 0.00 0.00 178.44 178.48 1jcq n PHE 222 N -5.51 1.73 -1.84 1.25 3.01 -1.26 -4.97 117.46 109.87 1jcq n PHE 222 Ca 0.13 -1.26 -0.42 0.00 1.01 0.00 0.00 57.45 56.91 1jcq n PHE 222 Cb 0.45 -0.55 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 1jcq n PHE 222 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1jcq s GLU 223 N -3.04 4.18 0.00 -1.08 2.12 -0.43 -1.89 118.70 118.55 1jcq s GLU 223 Ca 0.49 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.28 1jcq s GLU 223 Cb 0.41 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1jcq s GLU 223 CO 0.09 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 1jcq n GLY 224 N 3.94 2.86 0.05 -1.50 0.00 -1.26 -4.35 105.19 104.93 1jcq n GLY 224 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1jcq n GLY 224 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jcq h THR 225 N 0.00 1.07 -0.71 2.61 2.02 -1.45 -2.00 112.91 114.45 1jcq h THR 225 Ca 0.00 -0.26 0.11 0.00 0.77 0.00 0.00 66.41 67.03 1jcq h THR 225 Cb 0.00 1.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.57 1jcq h THR 225 CO 0.00 0.07 0.32 0.00 0.37 0.00 0.00 175.52 176.28 1jcq h ALA 226 N 0.84 0.98 -0.52 6.16 0.00 -1.88 0.71 119.26 125.56 1jcq h ALA 226 Ca -0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jcq h ALA 226 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jcq h ALA 226 CO 0.00 -0.12 -0.11 0.93 0.00 0.00 0.00 179.25 179.96 1jcq h GLU 227 N 0.53 0.97 -0.37 0.00 3.07 -1.92 -0.63 114.58 116.22 1jcq h GLU 227 Ca 0.36 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1jcq h GLU 227 Cb 0.45 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1jcq h GLU 227 CO -0.32 1.01 0.10 2.35 -1.40 0.00 0.00 179.01 180.76 1jcq h TRP 228 N 0.86 0.60 -0.54 4.33 7.01 -0.47 -2.18 115.95 125.57 1jcq h TRP 228 Ca 0.14 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1jcq h TRP 228 Cb 0.65 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1jcq h TRP 228 CO 0.04 0.59 0.34 0.82 -2.79 0.00 0.00 178.44 177.44 1jcq h ILE 229 N 0.44 1.15 -0.78 2.65 2.04 -0.67 -1.87 117.51 120.48 1jcq h ILE 229 Ca 0.12 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1jcq h ILE 229 Cb 0.28 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 1jcq h ILE 229 CO -0.00 0.15 0.51 0.00 0.00 0.00 0.00 178.15 178.81 1jcq h ALA 230 N 1.18 1.59 0.00 1.87 0.00 -0.93 0.15 119.26 123.12 1jcq h ALA 230 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jcq h ALA 230 Cb -0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1jcq h ALA 230 CO -0.04 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 1jcq h ARG 231 N 0.90 0.00 0.00 0.00 3.08 -0.68 -0.48 114.38 117.20 1jcq h ARG 231 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1jcq h ARG 231 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1jcq h ARG 231 CO -0.10 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.79 1jcq s GLN 233 N -3.19 4.30 0.06 0.00 0.74 -0.19 -1.03 119.66 120.35 1jcq s GLN 233 Ca 0.07 2.03 0.01 0.00 0.05 0.00 0.00 55.36 57.52 1jcq s GLN 233 Cb 0.06 -3.43 0.01 0.00 1.10 0.00 0.00 33.01 30.75 1jcq s GLN 233 CO 0.66 -0.51 0.05 0.27 -0.55 0.00 0.00 175.29 175.21 1jcq n ASN 234 N 4.71 1.08 0.21 6.67 6.94 -0.62 -4.94 115.26 129.31 1jcq n ASN 234 Ca 0.12 -1.21 0.15 0.00 -0.02 0.00 0.00 54.58 53.63 1jcq n ASN 234 Cb 0.43 -0.01 0.79 0.00 -2.36 0.00 0.00 39.78 38.63 1jcq n ASN 234 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1jcq h TRP 235 N 0.46 0.00 -0.01 -2.53 5.08 -1.94 -1.69 115.95 115.32 1jcq h TRP 235 Ca -0.04 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.80 1jcq h TRP 235 Cb 0.14 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 1jcq h TRP 235 CO 0.00 0.00 -0.63 0.93 -1.28 0.00 0.00 178.44 177.46 1jcq h GLU 236 N 0.00 0.03 0.00 0.12 5.08 -1.96 -3.47 114.58 114.38 1jcq h GLU 236 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1jcq h GLU 236 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1jcq h GLU 236 CO -0.00 0.65 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 1jcq n GLY 237 N 0.28 0.95 0.00 -3.84 0.00 -0.64 -4.57 105.19 97.38 1jcq n GLY 237 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1jcq n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcq n GLY 238 N 0.00 -1.53 3.18 -0.02 0.00 -1.26 -3.74 105.19 101.82 1jcq n GLY 238 Ca 0.00 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 1jcq n GLY 238 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jcq s ILE 239 N -0.97 1.65 0.59 -0.61 1.01 -1.26 -1.59 121.20 120.01 1jcq s ILE 239 Ca 0.00 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1jcq s ILE 239 Cb 0.00 -1.41 0.08 0.00 0.01 0.00 0.00 42.46 41.15 1jcq s ILE 239 CO 0.00 0.47 0.81 -0.83 0.00 0.00 0.00 174.94 175.39 1jcq s GLY 240 N -0.04 1.77 0.34 6.18 0.00 -0.20 -1.59 107.32 113.79 1jcq s GLY 240 Ca -0.04 -1.94 0.04 0.00 0.00 0.00 0.00 44.72 42.78 1jcq s GLY 240 CO 0.03 -1.49 1.90 -1.33 0.00 0.00 0.00 173.10 172.21 1jcq h GLY 241 N 0.06 0.64 -3.29 0.20 0.00 -1.82 -3.44 103.07 95.42 1jcq h GLY 241 Ca -0.33 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 1jcq h GLY 241 CO 0.42 0.32 -0.26 -1.34 0.00 0.00 0.00 176.54 175.69 1jcq s VAL 242 N -5.14 0.11 0.12 4.60 -7.23 -1.26 -0.32 120.40 111.27 1jcq s VAL 242 Ca -0.08 -0.89 -0.35 0.00 -1.81 0.00 0.00 61.98 58.85 1jcq s VAL 242 Cb 0.16 -1.19 -0.16 0.00 0.56 0.00 0.00 36.38 35.75 1jcq s VAL 242 CO 0.77 -0.49 1.34 -2.65 -0.31 0.00 0.00 175.10 173.76 1jcq n PRO 243 N 0.04 1.35 0.00 4.82 -0.02 -1.26 -1.80 135.00 138.12 1jcq n PRO 243 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1jcq n PRO 243 Cb 0.62 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1jcq n PRO 243 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcq n GLY 244 N 2.53 3.14 3.83 -1.23 0.00 -1.26 -5.03 105.19 107.17 1jcq n GLY 244 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1jcq n GLY 244 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jcq s MET 245 N -0.32 3.70 0.33 1.61 -1.94 -0.75 -5.01 119.30 116.92 1jcq s MET 245 Ca 0.00 1.03 -0.28 0.00 -1.71 0.00 0.00 55.69 54.72 1jcq s MET 245 Cb 0.00 -2.10 -0.13 0.00 2.01 0.00 0.00 34.83 34.62 1jcq s MET 245 CO 0.00 -0.48 1.26 -1.91 -0.01 0.00 0.00 175.02 173.87 1jcq n GLU 246 N -1.83 2.00 -1.97 2.03 2.13 -1.26 -4.02 120.64 117.74 1jcq n GLU 246 Ca 0.07 0.70 -0.42 0.00 0.66 0.00 0.00 57.16 58.17 1jcq n GLU 246 Cb 0.54 -2.26 -0.03 0.00 0.27 0.00 0.00 31.44 29.96 1jcq n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jcq s ALA 247 N -1.01 3.68 -0.02 4.31 0.00 -1.26 -3.97 121.76 123.48 1jcq s ALA 247 Ca 0.57 1.17 0.01 0.00 0.00 0.00 0.00 51.96 53.71 1jcq s ALA 247 Cb -0.59 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 18.86 1jcq s ALA 247 CO 0.61 -1.06 -0.01 -1.58 0.00 0.00 0.00 175.76 173.72 1jcq s HIS 248 N 2.53 0.29 0.31 0.00 2.46 -0.62 -4.57 115.29 115.70 1jcq s HIS 248 Ca 0.72 -0.02 0.08 0.00 0.47 0.00 0.00 55.06 56.31 1jcq s HIS 248 Cb -0.39 -0.32 0.86 0.00 -0.13 0.00 0.00 32.58 32.60 1jcq s HIS 248 CO 0.31 -0.09 1.69 0.78 -2.47 0.00 0.00 174.74 174.97 1jcq h GLY 249 N 6.84 1.75 1.02 1.59 0.00 -1.05 0.26 103.07 113.48 1jcq h GLY 249 Ca -0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1jcq h GLY 249 CO 0.49 -0.32 0.40 -1.33 0.00 0.00 0.00 176.54 175.77 1jcq h GLY 250 N 0.42 1.17 1.70 4.60 0.00 -1.86 0.10 103.07 109.19 1jcq h GLY 250 Ca 0.63 -0.55 -0.25 0.00 0.00 0.00 0.00 47.33 47.15 1jcq h GLY 250 CO -0.54 0.53 -1.13 -0.97 0.00 0.00 0.00 176.54 174.43 1jcq h TYR 251 N 1.07 0.40 -0.49 5.60 0.99 -1.27 -2.84 116.97 120.43 1jcq h TYR 251 Ca 0.27 -0.28 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1jcq h TYR 251 Cb 0.07 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 37.76 1jcq h TYR 251 CO 0.01 1.18 0.04 1.15 -0.00 0.00 0.00 178.16 180.53 1jcq h THR 252 N 0.08 1.26 0.24 -2.88 2.02 -0.40 0.16 112.91 113.38 1jcq h THR 252 Ca -0.10 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1jcq h THR 252 Cb 1.84 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1jcq h THR 252 CO 0.18 0.36 -0.11 0.15 0.37 0.00 0.00 175.52 176.46 1jcq h PHE 253 N 0.71 -0.30 -0.68 3.16 3.57 -1.04 -0.36 116.94 122.00 1jcq h PHE 253 Ca 0.14 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.74 1jcq h PHE 253 Cb 0.46 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.22 1jcq h PHE 253 CO 0.03 -0.18 0.29 0.00 -2.23 0.00 0.00 178.31 176.22 1jcq h GLY 255 N 0.49 -0.41 0.92 0.00 0.00 -0.39 -1.90 103.07 101.78 1jcq h GLY 255 Ca 0.35 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.81 1jcq h GLY 255 CO -0.32 -0.15 0.12 -2.00 0.00 0.00 0.00 176.54 174.20 1jcq h LEU 256 N -0.67 0.43 -0.87 3.11 5.85 -0.95 -1.25 115.31 120.96 1jcq h LEU 256 Ca -0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1jcq h LEU 256 Cb 0.47 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1jcq h LEU 256 CO 0.07 0.48 0.56 0.00 -0.34 0.00 0.00 178.44 179.21 1jcq h ALA 257 N 0.97 1.11 0.03 1.25 0.00 -1.13 0.20 119.26 121.69 1jcq h ALA 257 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jcq h ALA 257 Cb 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jcq h ALA 257 CO -0.01 0.53 -0.01 0.00 0.00 0.00 0.00 179.25 179.76 1jcq h ALA 258 N 1.31 -0.04 -0.52 0.00 0.00 -1.10 -1.36 119.26 117.54 1jcq h ALA 258 Ca 0.32 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1jcq h ALA 258 Cb -0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1jcq h ALA 258 CO -0.07 -0.49 0.35 -0.07 0.00 0.00 0.00 179.25 178.97 1jcq h LEU 259 N -0.09 0.54 -0.54 0.00 3.38 -0.68 -0.40 115.31 117.51 1jcq h LEU 259 Ca -0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1jcq h LEU 259 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jcq h LEU 259 CO 0.01 0.38 0.02 0.58 0.09 0.00 0.00 178.44 179.52 1jcq h VAL 260 N 0.63 1.26 -0.67 1.22 2.07 -0.49 0.32 116.25 120.59 1jcq h VAL 260 Ca 0.20 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1jcq h VAL 260 Cb 0.04 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1jcq h VAL 260 CO -0.05 0.38 0.33 0.40 0.02 0.00 0.00 177.57 178.65 1jcq h ILE 261 N 0.81 1.22 0.00 4.57 2.04 -0.08 -1.15 117.51 124.93 1jcq h ILE 261 Ca 0.15 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1jcq h ILE 261 Cb 0.50 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1jcq h ILE 261 CO 0.02 0.26 0.00 0.18 0.00 0.00 0.00 178.15 178.61 1jcq n LEU 262 N -4.47 0.00 -3.59 1.44 4.77 -0.29 -4.91 117.00 109.95 1jcq n LEU 262 Ca 0.05 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.99 1jcq n LEU 262 Cb 0.12 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1jcq n LEU 262 CO 0.38 -0.01 -0.01 0.29 -1.33 0.00 0.00 177.39 176.72 1jcq n LYS 263 N -1.16 -5.23 -1.50 3.23 5.02 0.40 -4.92 118.16 114.00 1jcq n LYS 263 Ca 0.18 0.70 0.04 0.00 -2.02 0.00 0.00 58.31 57.20 1jcq n LYS 263 Cb 0.17 -5.39 0.04 0.00 -0.02 0.00 0.00 35.03 29.83 1jcq n LYS 263 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jcq n ARG 264 N -4.18 0.22 -0.07 1.97 5.12 0.84 -4.89 116.66 115.68 1jcq n ARG 264 Ca -0.28 -2.19 0.09 0.00 -1.93 0.00 0.00 57.85 53.54 1jcq n ARG 264 Cb 0.67 -0.22 0.47 0.00 -1.16 0.00 0.00 32.46 32.22 1jcq n ARG 264 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1jcq h GLU 265 N 1.09 0.46 0.00 5.56 3.07 -1.91 -1.45 114.58 121.40 1jcq h GLU 265 Ca -0.21 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1jcq h GLU 265 Cb 1.80 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 1jcq h GLU 265 CO 0.10 0.31 0.00 0.54 -1.40 0.00 0.00 179.01 178.56 1jcq n ARG 266 N -4.47 0.13 0.26 2.33 1.74 -1.26 -1.62 116.66 113.76 1jcq n ARG 266 Ca 0.08 0.62 0.12 0.00 -0.77 0.00 0.00 57.85 57.90 1jcq n ARG 266 Cb 0.27 -1.91 0.70 0.00 -1.02 0.00 0.00 32.46 30.50 1jcq n ARG 266 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1jcq h SER 267 N 0.00 0.00 -2.86 0.55 0.02 -1.65 -3.44 113.55 106.17 1jcq h SER 267 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1jcq h SER 267 Cb 0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.56 1jcq h SER 267 CO 0.00 0.13 -0.17 -0.76 -1.14 0.00 0.00 176.83 174.89 1jcq s LEU 268 N -7.22 4.00 -0.93 5.07 1.43 -0.64 -4.89 118.68 115.50 1jcq s LEU 268 Ca -0.02 0.49 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 1jcq s LEU 268 Cb 0.13 -3.35 0.10 0.00 0.03 0.00 0.00 46.19 43.09 1jcq s LEU 268 CO 0.59 -0.30 1.22 0.21 0.23 0.00 0.00 176.35 178.30 1jcq s ASN 269 N -3.99 6.53 0.53 2.29 3.84 -1.26 -4.84 114.94 118.04 1jcq s ASN 269 Ca 0.40 -1.72 0.20 0.00 0.21 0.00 0.00 52.86 51.96 1jcq s ASN 269 Cb -0.10 -2.46 1.39 0.00 -0.55 0.00 0.00 41.25 39.53 1jcq s ASN 269 CO 0.36 -1.26 2.15 -0.07 -2.79 0.00 0.00 177.10 175.49 1jcq h LEU 270 N 11.33 0.00 0.40 3.21 3.38 -1.92 -2.49 115.31 129.22 1jcq h LEU 270 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1jcq h LEU 270 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1jcq h LEU 270 CO 1.22 0.03 -0.19 0.50 0.09 0.00 0.00 178.44 180.09 1jcq h LYS 271 N 0.00 -0.51 0.00 1.13 3.11 -1.99 -1.06 116.57 117.25 1jcq h LYS 271 Ca -0.00 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1jcq h LYS 271 Cb 0.07 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1jcq h LYS 271 CO 0.00 -0.24 -0.11 0.66 -2.81 0.00 0.00 179.45 176.95 1jcq h SER 272 N -0.73 0.00 -0.08 4.20 4.64 -1.88 -2.34 113.55 117.36 1jcq h SER 272 Ca -0.05 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 1jcq h SER 272 Cb 0.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1jcq h SER 272 CO 0.09 0.11 -0.13 0.25 -0.87 0.00 0.00 176.83 176.28 1jcq h LEU 273 N 0.00 0.25 -0.33 5.97 6.46 -1.28 -2.15 115.31 124.23 1jcq h LEU 273 Ca -0.00 -0.55 0.03 0.00 -0.12 0.00 0.00 57.88 57.24 1jcq h LEU 273 Cb 0.57 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1jcq h LEU 273 CO 0.01 0.75 0.14 0.25 -0.62 0.00 0.00 178.44 178.98 1jcq h LEU 274 N -0.24 0.19 -1.00 2.25 5.85 -0.95 -0.39 115.31 121.01 1jcq h LEU 274 Ca 0.01 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1jcq h LEU 274 Cb 0.70 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1jcq h LEU 274 CO 0.03 0.15 0.15 -0.61 -0.34 0.00 0.00 178.44 177.82 1jcq h GLN 275 N 0.31 0.87 0.37 1.25 4.15 -1.46 -1.86 115.11 118.73 1jcq h GLN 275 Ca 0.14 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1jcq h GLN 275 Cb 0.09 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1jcq h GLN 275 CO -0.12 0.77 -0.18 2.35 -1.93 0.00 0.00 178.83 179.72 1jcq h TRP 276 N 0.84 -0.46 -0.96 3.99 7.01 -0.80 -2.62 115.95 122.95 1jcq h TRP 276 Ca 0.19 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1jcq h TRP 276 Cb 0.29 0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.45 1jcq h TRP 276 CO 0.02 -0.15 0.63 -0.24 -2.79 0.00 0.00 178.44 175.91 1jcq h VAL 277 N -0.79 1.17 -0.25 2.65 3.04 -1.03 -2.13 116.25 118.91 1jcq h VAL 277 Ca -0.05 -0.42 -0.05 0.00 -1.01 0.00 0.00 66.70 65.17 1jcq h VAL 277 Cb 0.53 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.64 1jcq h VAL 277 CO 0.08 0.22 -0.07 0.71 -1.01 0.00 0.00 177.57 177.51 1jcq h THR 278 N 1.22 1.19 0.00 3.17 1.35 -1.37 -0.99 112.91 117.48 1jcq h THR 278 Ca 0.38 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1jcq h THR 278 Cb -0.02 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1jcq h THR 278 CO -0.12 0.26 0.00 0.28 -0.25 0.00 0.00 175.52 175.69 1jcq h SER 279 N 0.37 0.00 0.28 5.36 0.02 -0.99 -2.99 113.55 115.59 1jcq h SER 279 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1jcq h SER 279 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jcq h SER 279 CO 0.02 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.25 1jcq n ARG 280 N -2.69 0.54 -3.01 3.45 5.12 -0.38 -4.70 116.66 114.99 1jcq n ARG 280 Ca 0.02 0.03 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 1jcq n ARG 280 Cb 0.30 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.05 1jcq n ARG 280 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1jcq s GLN 281 N -2.34 4.28 -0.16 5.56 0.74 -1.13 -1.22 119.66 125.39 1jcq s GLN 281 Ca 0.30 0.82 -0.29 0.00 0.05 0.00 0.00 55.36 56.24 1jcq s GLN 281 Cb 0.17 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.70 1jcq s GLN 281 CO 0.35 -0.23 1.54 -1.64 -0.55 0.00 0.00 175.29 174.77 1jcq s MET 282 N 1.84 4.02 0.39 1.67 -1.94 0.36 -4.92 119.30 120.71 1jcq s MET 282 Ca 0.34 1.82 0.11 0.00 -1.71 0.00 0.00 55.69 56.24 1jcq s MET 282 Cb -0.16 -3.96 0.89 0.00 2.01 0.00 0.00 34.83 33.61 1jcq s MET 282 CO 0.12 -1.02 1.92 0.07 -0.01 0.00 0.00 175.02 176.11 1jcq h ARG 283 N 9.76 0.58 0.00 2.03 0.11 -1.89 0.91 114.38 125.87 1jcq h ARG 283 Ca -0.34 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.58 1jcq h ARG 283 Cb 1.15 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 1jcq h ARG 283 CO 0.98 0.38 -0.89 0.35 0.10 0.00 0.00 179.97 180.89 1jcq h PHE 284 N 0.59 0.00 -0.38 4.08 3.57 -1.92 -3.40 116.94 119.49 1jcq h PHE 284 Ca 0.37 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 1jcq h PHE 284 Cb 0.60 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1jcq h PHE 284 CO -0.00 0.83 -0.16 0.93 -2.23 0.00 0.00 178.31 177.68 1jcq h GLU 285 N -1.00 0.69 0.00 1.11 3.07 -1.92 -3.47 114.58 113.07 1jcq h GLU 285 Ca -0.19 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1jcq h GLU 285 Cb 0.94 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1jcq h GLU 285 CO -0.12 0.82 0.00 0.41 -1.40 0.00 0.00 179.01 178.72 1jcq n GLY 286 N -0.40 3.20 1.09 -3.84 0.00 0.31 -4.40 105.19 101.15 1jcq n GLY 286 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1jcq n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcq n GLY 287 N -1.36 -0.29 3.62 -0.02 0.00 -1.26 -3.27 105.19 102.61 1jcq n GLY 287 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 1jcq n GLY 287 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jcq s PHE 288 N -1.27 2.79 0.28 1.61 0.40 -1.26 -0.49 117.98 120.04 1jcq s PHE 288 Ca 0.20 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1jcq s PHE 288 Cb -0.01 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 1jcq s PHE 288 CO 0.14 0.47 0.34 1.14 0.70 0.00 0.00 175.22 178.01 1jcq s GLN 289 N -2.51 3.16 0.09 0.44 -2.07 -0.36 -1.25 119.66 117.16 1jcq s GLN 289 Ca 0.24 -0.95 0.04 0.00 -1.82 0.00 0.00 55.36 52.87 1jcq s GLN 289 Cb -0.10 -2.75 -0.23 0.00 -1.09 0.00 0.00 33.01 28.83 1jcq s GLN 289 CO 0.16 0.29 1.18 0.78 -1.32 0.00 0.00 175.29 176.39 1jcq h GLY 290 N 1.18 0.09 -2.91 2.60 0.00 -1.89 -3.45 103.07 98.68 1jcq h GLY 290 Ca -0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1jcq h GLY 290 CO 0.59 0.20 -0.05 1.09 0.00 0.00 0.00 176.54 178.37 1jcq s ARG 291 N -2.68 1.18 0.40 4.80 1.70 -1.26 -0.44 118.95 122.64 1jcq s ARG 291 Ca -0.01 -0.78 -0.26 0.00 -0.47 0.00 0.00 55.73 54.21 1jcq s ARG 291 Cb 0.09 0.48 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 1jcq s ARG 291 CO 0.84 -0.47 1.28 0.00 -1.08 0.00 0.00 175.30 175.86 1jcq n ASN 293 N 0.34 -5.05 -3.20 0.00 3.02 -1.26 -5.00 115.26 104.11 1jcq n ASN 293 Ca 0.06 0.20 -0.15 0.00 -0.03 0.00 0.00 54.58 54.67 1jcq n ASN 293 Cb 0.39 -4.10 -0.03 0.00 -0.61 0.00 0.00 39.78 35.43 1jcq n ASN 293 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jcq n LYS 294 N -2.57 1.43 -3.11 3.52 5.02 -1.09 -4.96 118.16 116.40 1jcq n LYS 294 Ca -0.19 -1.67 -0.26 0.00 -2.02 0.00 0.00 58.31 54.17 1jcq n LYS 294 Cb 0.61 0.46 -0.01 0.00 -0.02 0.00 0.00 35.03 36.06 1jcq n LYS 294 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jcq s LEU 295 N 0.00 3.89 0.59 -0.35 1.43 -1.26 -4.87 118.68 118.11 1jcq s LEU 295 Ca 0.00 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 53.59 1jcq s LEU 295 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1jcq s LEU 295 CO 0.00 -0.37 1.16 0.54 0.23 0.00 0.00 176.35 177.91 1jcq s VAL 296 N -2.41 2.92 -0.27 -1.59 0.11 -1.26 -4.04 120.40 113.86 1jcq s VAL 296 Ca 0.43 0.55 -0.17 0.00 -2.93 0.00 0.00 61.98 59.86 1jcq s VAL 296 Cb -0.10 -3.18 0.08 0.00 -1.53 0.00 0.00 36.38 31.65 1jcq s VAL 296 CO 0.38 -0.15 0.67 -0.62 -3.33 0.00 0.00 175.10 172.05 1jcq s ASP 297 N -1.83 -0.89 0.45 3.54 -1.08 -0.38 -4.80 116.67 111.67 1jcq s ASP 297 Ca 0.74 1.46 0.15 0.00 -0.52 0.00 0.00 52.55 54.38 1jcq s ASP 297 Cb -0.26 1.36 1.07 0.00 -1.46 0.00 0.00 42.92 43.63 1jcq s ASP 297 CO 0.32 -0.24 1.99 1.23 0.52 0.00 0.00 175.17 179.00 1jcq h GLY 298 N 6.71 0.49 2.00 2.66 0.00 -1.19 -2.03 103.07 111.71 1jcq h GLY 298 Ca -0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1jcq h GLY 298 CO 0.15 0.09 -0.11 0.00 0.00 0.00 0.00 176.54 176.67 1jcq n TYR 300 N -3.66 0.00 0.17 0.00 0.53 -0.76 -1.59 117.16 111.84 1jcq n TYR 300 Ca -0.02 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 56.97 1jcq n TYR 300 Cb 0.23 -0.47 0.64 0.00 -1.03 0.00 0.00 39.34 38.71 1jcq n TYR 300 CO 0.00 0.00 0.00 0.77 -1.02 0.00 0.00 176.86 176.61 1jcq h SER 301 N 0.00 0.03 0.00 7.72 0.02 -1.09 -0.26 113.55 119.98 1jcq h SER 301 Ca 0.00 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1jcq h SER 301 Cb 0.30 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1jcq h SER 301 CO 0.00 0.02 -1.53 0.33 -1.14 0.00 0.00 176.83 174.51 1jcq n PHE 302 N -4.49 0.38 -0.30 3.45 7.35 -0.62 -3.73 117.46 119.50 1jcq n PHE 302 Ca 0.01 0.17 0.03 0.00 -0.76 0.00 0.00 57.45 56.90 1jcq n PHE 302 Cb 0.24 -0.86 0.17 0.00 0.35 0.00 0.00 39.48 39.39 1jcq n PHE 302 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1jcq h TRP 303 N -1.00 0.91 0.00 -5.13 4.06 -1.48 0.33 115.95 113.64 1jcq h TRP 303 Ca -0.33 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.65 1jcq h TRP 303 Cb 1.20 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1jcq h TRP 303 CO -0.16 0.38 -0.29 1.96 -3.56 0.00 0.00 178.44 176.77 1jcq h GLN 304 N 0.83 0.00 -0.48 0.49 1.08 -1.29 -3.36 115.11 112.38 1jcq h GLN 304 Ca 0.41 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.71 1jcq h GLN 304 Cb 0.36 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1jcq h GLN 304 CO -0.24 0.00 0.33 0.00 -0.95 0.00 0.00 178.83 177.96 1jcq h ALA 305 N -1.06 2.15 0.00 3.87 0.00 -1.59 0.58 119.26 123.20 1jcq h ALA 305 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jcq h ALA 305 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jcq h ALA 305 CO 0.00 -0.26 -0.01 0.78 0.00 0.00 0.00 179.25 179.76 1jcq h GLY 306 N 0.23 0.00 2.00 0.00 0.00 -0.48 -1.72 103.07 103.10 1jcq h GLY 306 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.48 1jcq h GLY 306 CO -0.04 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 177.58 1jcq h LEU 307 N 0.00 0.00 -0.59 3.11 3.38 -1.02 -3.24 115.31 116.96 1jcq h LEU 307 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1jcq h LEU 307 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1jcq h LEU 307 CO 0.00 0.33 0.07 -0.07 0.09 0.00 0.00 178.44 178.86 1jcq h LEU 308 N 0.00 0.95 -0.87 1.67 3.38 -1.43 0.89 115.31 119.90 1jcq h LEU 308 Ca -0.00 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1jcq h LEU 308 Cb 0.78 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1jcq h LEU 308 CO 0.04 0.98 -0.21 -0.65 0.09 0.00 0.00 178.44 178.70 1jcq h PRO 309 N 0.88 0.60 -0.16 1.13 0.11 -1.71 -0.93 132.00 131.93 1jcq h PRO 309 Ca 0.18 -0.22 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1jcq h PRO 309 Cb 0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1jcq h PRO 309 CO 0.02 0.77 0.00 -0.07 -0.21 0.00 0.00 178.00 178.51 1jcq h LEU 310 N 0.53 0.27 -0.84 2.35 3.38 -1.53 -1.63 115.31 117.85 1jcq h LEU 310 Ca 0.08 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1jcq h LEU 310 Cb 0.65 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1jcq h LEU 310 CO 0.05 0.51 0.31 -0.07 0.09 0.00 0.00 178.44 179.32 1jcq h LEU 311 N 0.02 1.07 0.03 1.67 3.38 -0.75 -0.95 115.31 119.78 1jcq h LEU 311 Ca 0.04 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jcq h LEU 311 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1jcq h LEU 311 CO 0.01 0.95 -0.10 -0.74 0.09 0.00 0.00 178.44 178.65 1jcq h HIS 312 N 1.13 -0.25 -0.50 1.13 2.76 -1.06 0.67 115.15 119.04 1jcq h HIS 312 Ca 0.26 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1jcq h HIS 312 Cb 0.22 0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.26 1jcq h HIS 312 CO 0.02 -0.15 0.32 -0.09 -1.30 0.00 0.00 177.93 176.73 1jcq h ARG 313 N -0.18 0.63 -0.48 5.26 2.43 -1.07 -0.12 114.38 120.85 1jcq h ARG 313 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1jcq h ARG 313 Cb 0.21 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1jcq h ARG 313 CO -0.08 0.42 0.27 0.00 -1.51 0.00 0.00 179.97 179.07 1jcq h ALA 314 N 1.20 0.61 -0.26 2.80 0.00 -0.81 -0.43 119.26 122.37 1jcq h ALA 314 Ca 0.19 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1jcq h ALA 314 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jcq h ALA 314 CO -0.06 0.12 -0.20 -0.07 0.00 0.00 0.00 179.25 179.04 1jcq h LEU 315 N 0.63 0.62 -1.15 0.00 3.38 -0.76 -2.81 115.31 115.23 1jcq h LEU 315 Ca 0.17 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1jcq h LEU 315 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1jcq h LEU 315 CO -0.03 0.94 0.58 -0.74 0.09 0.00 0.00 178.44 179.28 1jcq h HIS 316 N 0.31 1.07 -0.41 1.13 2.76 -0.88 -1.64 115.15 117.48 1jcq h HIS 316 Ca 0.05 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1jcq h HIS 316 Cb 0.75 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 1jcq h HIS 316 CO 0.07 0.64 0.25 0.00 -1.30 0.00 0.00 177.93 177.59 1jcq h ALA 317 N 1.48 0.53 -0.37 5.26 0.00 -0.98 -1.82 119.26 123.36 1jcq h ALA 317 Ca 0.34 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.04 1jcq h ALA 317 Cb -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.53 1jcq h ALA 317 CO -0.10 -0.06 0.25 0.00 0.00 0.00 0.00 179.25 179.34 1jcq n GLN 318 N -4.84 1.48 -3.70 0.00 10.64 -0.67 -4.90 117.38 115.39 1jcq n GLN 318 Ca 0.01 -1.12 -0.26 0.00 -1.83 0.00 0.00 57.00 53.81 1jcq n GLN 318 Cb 0.05 -1.44 0.03 0.00 -0.86 0.00 0.00 30.24 28.02 1jcq n GLN 318 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jcq n GLY 319 N -0.02 -0.65 3.62 2.61 0.00 -0.68 -4.95 105.19 105.12 1jcq n GLY 319 Ca 0.22 0.31 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 1jcq n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jcq s ASP 320 N -3.90 6.80 0.16 1.61 -1.08 -0.91 -4.91 116.67 114.43 1jcq s ASP 320 Ca 0.24 0.81 0.25 0.00 -0.52 0.00 0.00 52.55 53.32 1jcq s ASP 320 Cb -0.08 -2.51 0.92 0.00 -1.46 0.00 0.00 42.92 39.79 1jcq s ASP 320 CO 0.84 -0.89 1.75 -0.81 0.52 0.00 0.00 175.17 176.58 1jcq n PRO 321 N 6.88 0.16 0.00 4.34 -0.04 -1.26 -3.39 135.00 141.69 1jcq n PRO 321 Ca 0.10 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1jcq n PRO 321 Cb 0.48 -1.73 0.36 0.00 -0.04 0.00 0.00 33.50 32.57 1jcq n PRO 321 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jcq n ALA 322 N -1.69 3.03 -1.78 0.55 0.00 -1.26 -4.95 120.51 114.40 1jcq n ALA 322 Ca 0.05 -0.44 -0.41 0.00 0.00 0.00 0.00 53.44 52.64 1jcq n ALA 322 Cb 0.32 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1jcq n ALA 322 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jcq s LEU 323 N -2.41 4.31 0.68 0.00 1.43 -1.22 -4.97 118.68 116.51 1jcq s LEU 323 Ca 0.26 3.04 -0.15 0.00 -1.03 0.00 0.00 54.13 56.25 1jcq s LEU 323 Cb 0.19 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.75 1jcq s LEU 323 CO 0.49 -0.88 1.16 -0.55 0.23 0.00 0.00 176.35 176.79 1jcq s SER 324 N -0.16 4.78 -0.04 2.29 0.15 -1.26 -4.95 113.70 114.50 1jcq s SER 324 Ca 0.53 2.18 0.12 0.00 0.70 0.00 0.00 55.95 59.48 1jcq s SER 324 Cb -0.46 -2.57 0.38 0.00 -1.71 0.00 0.00 66.02 61.65 1jcq s SER 324 CO 0.63 -1.86 1.31 0.23 1.20 0.00 0.00 173.24 174.75 1jcq n MET 325 N -2.42 2.91 0.00 5.44 0.00 -1.26 -4.63 117.12 117.16 1jcq n MET 325 Ca 0.12 -2.27 0.00 0.00 0.00 0.00 0.00 57.70 55.55 1jcq n MET 325 Cb 0.51 -1.43 0.00 0.00 0.00 0.00 0.00 33.22 32.31 1jcq n MET 325 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1jcq n SER 326 N 0.32 0.00 -3.97 7.83 3.41 -1.26 -4.75 113.62 115.19 1jcq n SER 326 Ca 0.14 -0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 58.22 1jcq n SER 326 Cb 0.55 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1jcq n SER 326 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jcq s HIS 327 N 0.00 0.26 0.45 7.33 3.76 -1.26 -4.77 115.29 121.05 1jcq s HIS 327 Ca 0.00 -0.55 -0.13 0.00 -0.15 0.00 0.00 55.06 54.23 1jcq s HIS 327 Cb 0.00 -0.19 -0.07 0.00 1.11 0.00 0.00 32.58 33.43 1jcq s HIS 327 CO 0.00 -0.27 0.85 -1.58 -0.85 0.00 0.00 174.74 172.89 1jcq s TRP 328 N -2.08 3.46 -0.17 1.40 0.23 -1.26 -4.67 118.94 115.85 1jcq s TRP 328 Ca -0.10 1.21 -0.06 0.00 -2.03 0.00 0.00 56.10 55.12 1jcq s TRP 328 Cb -0.05 -2.58 -0.23 0.00 0.03 0.00 0.00 33.47 30.64 1jcq s TRP 328 CO -0.03 -0.21 3.51 -1.33 0.96 0.00 0.00 176.95 179.85 1jcq n MET 329 N -1.40 2.18 -3.94 4.98 2.81 -1.26 -4.76 117.12 115.73 1jcq n MET 329 Ca 0.04 -1.21 -0.09 0.00 -1.81 0.00 0.00 57.70 54.63 1jcq n MET 329 Cb 0.54 -2.08 -0.06 0.00 -0.71 0.00 0.00 33.22 30.91 1jcq n MET 329 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1jcq s PHE 330 N 0.89 0.29 -0.88 2.03 -0.12 -1.26 -4.82 117.98 114.11 1jcq s PHE 330 Ca 0.67 -0.65 -0.24 0.00 -0.05 0.00 0.00 56.93 56.66 1jcq s PHE 330 Cb 0.31 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.89 1jcq s PHE 330 CO -0.02 -0.88 1.32 -1.58 -0.05 0.00 0.00 175.22 174.01 1jcq s HIS 331 N -3.97 2.52 0.24 3.49 5.65 -1.26 -4.85 115.29 117.10 1jcq s HIS 331 Ca 0.18 -0.60 -0.06 0.00 0.25 0.00 0.00 55.06 54.83 1jcq s HIS 331 Cb 0.01 -4.60 0.29 0.00 -1.18 0.00 0.00 32.58 27.10 1jcq s HIS 331 CO 0.04 -1.92 1.89 1.96 -0.65 0.00 0.00 174.74 176.06 1jcq h GLN 332 N 9.76 1.14 0.27 2.88 4.20 -1.88 -1.70 115.11 129.77 1jcq h GLN 332 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1jcq h GLN 332 Cb 1.03 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1jcq h GLN 332 CO 1.33 0.75 -0.13 0.37 -0.67 0.00 0.00 178.83 180.48 1jcq h GLN 333 N 1.17 -0.36 -0.81 1.46 4.15 -1.89 -2.32 115.11 116.52 1jcq h GLN 333 Ca 0.37 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.88 1jcq h GLN 333 Cb -0.00 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 1jcq h GLN 333 CO -0.12 -0.08 0.48 0.00 -1.93 0.00 0.00 178.83 177.18 1jcq h ALA 334 N 0.04 1.12 -0.69 3.38 0.00 -1.84 -0.15 119.26 121.12 1jcq h ALA 334 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jcq h ALA 334 Cb 0.44 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jcq h ALA 334 CO 0.06 0.17 0.32 1.25 0.00 0.00 0.00 179.25 181.06 1jcq h LEU 335 N 0.85 0.92 -1.09 0.00 5.85 -1.26 -0.93 115.31 119.65 1jcq h LEU 335 Ca 0.37 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1jcq h LEU 335 Cb 0.24 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1jcq h LEU 335 CO -0.20 0.80 -0.07 1.56 -0.34 0.00 0.00 178.44 180.19 1jcq h GLN 336 N 0.97 0.56 -0.34 1.25 4.20 -0.68 -1.03 115.11 120.05 1jcq h GLN 336 Ca 0.24 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1jcq h GLN 336 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1jcq h GLN 336 CO -0.03 0.63 -0.05 0.93 -0.67 0.00 0.00 178.83 179.64 1jcq h GLU 337 N 0.52 0.63 0.19 1.46 5.08 -0.55 0.10 114.58 122.02 1jcq h GLU 337 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1jcq h GLU 337 Cb 0.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jcq h GLU 337 CO 0.02 0.79 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.80 1jcq h TYR 338 N 0.42 -0.24 0.17 4.33 3.20 -0.77 0.10 116.97 124.19 1jcq h TYR 338 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1jcq h TYR 338 Cb 0.54 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1jcq h TYR 338 CO 0.05 -0.09 -0.08 0.82 -1.64 0.00 0.00 178.16 177.21 1jcq h ILE 339 N -0.33 0.85 -0.68 1.81 2.04 -1.15 0.26 117.51 120.31 1jcq h ILE 339 Ca -0.03 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1jcq h ILE 339 Cb 0.26 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1jcq h ILE 339 CO 0.04 0.03 0.13 -0.07 0.00 0.00 0.00 178.15 178.28 1jcq h LEU 340 N -0.29 1.06 0.03 1.44 3.38 -0.94 -1.47 115.31 118.53 1jcq h LEU 340 Ca -0.02 -0.25 -0.28 0.00 0.09 0.00 0.00 57.88 57.41 1jcq h LEU 340 Cb 0.22 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1jcq h LEU 340 CO 0.04 1.04 -1.57 0.24 0.09 0.00 0.00 178.44 178.28 1jcq h MET 341 N 1.04 0.06 0.00 1.13 2.86 -0.76 -3.41 114.93 115.85 1jcq h MET 341 Ca 0.21 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1jcq h MET 341 Cb 0.42 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1jcq h MET 341 CO 0.01 0.75 -0.76 0.00 1.06 0.00 0.00 176.91 177.98 1jcq s GLN 344 N -1.47 3.84 -0.09 0.00 -0.21 -1.24 -0.59 119.66 119.90 1jcq s GLN 344 Ca 0.30 -0.29 -0.22 0.00 0.02 0.00 0.00 55.36 55.17 1jcq s GLN 344 Cb 0.19 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.95 1jcq s GLN 344 CO 0.15 0.40 0.65 0.00 -2.12 0.00 0.00 175.29 174.37 1jcq h PRO 346 N 6.84 0.16 0.00 0.00 0.11 -1.98 0.10 132.00 137.23 1jcq h PRO 346 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jcq h PRO 346 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jcq h PRO 346 CO 0.76 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 1jcq n ALA 347 N -2.81 2.43 0.00 -0.75 0.00 -1.26 -4.98 120.51 113.13 1jcq n ALA 347 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1jcq n ALA 347 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1jcq n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jcq n GLY 348 N 0.54 2.81 0.12 0.00 0.00 0.36 -4.83 105.19 104.19 1jcq n GLY 348 Ca 0.14 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 44.25 1jcq n GLY 348 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jcq n GLY 349 N 0.33 -2.48 3.52 -0.02 0.00 -1.26 -4.38 105.19 100.90 1jcq n GLY 349 Ca 0.00 -1.43 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 1jcq n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jcq s LEU 350 N -4.55 2.64 0.33 0.99 1.02 -1.26 -1.09 118.68 116.76 1jcq s LEU 350 Ca 0.00 -1.26 0.06 0.00 0.02 0.00 0.00 54.13 52.95 1jcq s LEU 350 Cb 0.00 -0.80 -0.03 0.00 0.02 0.00 0.00 46.19 45.38 1jcq s LEU 350 CO 0.00 -0.35 0.31 -1.48 0.02 0.00 0.00 176.35 174.85 1jcq s LEU 351 N -3.57 1.66 0.01 1.79 0.05 0.24 -3.25 118.68 115.60 1jcq s LEU 351 Ca 0.33 -1.73 -0.12 0.00 0.05 0.00 0.00 54.13 52.65 1jcq s LEU 351 Cb 0.05 0.69 -0.07 0.00 -2.05 0.00 0.00 46.19 44.81 1jcq s LEU 351 CO 0.15 -1.10 0.90 -0.78 -0.55 0.00 0.00 176.35 174.97 1jcq h ASP 352 N 2.13 -0.37 -5.13 1.48 3.58 -1.88 -3.37 116.42 112.85 1jcq h ASP 352 Ca -0.25 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 1jcq h ASP 352 Cb 1.23 0.10 -0.11 0.00 1.72 0.00 0.00 39.33 42.27 1jcq h ASP 352 CO 0.37 -0.20 -0.07 -1.59 -2.88 0.00 0.00 179.24 174.86 1jcq s LYS 353 N -3.46 1.30 0.01 0.28 -2.85 -1.26 -0.91 119.74 112.85 1jcq s LYS 353 Ca -0.06 -0.94 -0.37 0.00 -1.00 0.00 0.00 55.97 53.59 1jcq s LYS 353 Cb 0.01 0.48 -0.16 0.00 -2.06 0.00 0.00 37.83 36.09 1jcq s LYS 353 CO 0.19 -0.53 1.43 -2.30 0.10 0.00 0.00 175.35 174.24 1jcq n PRO 354 N -0.30 1.17 -0.01 1.78 -0.02 -1.24 -1.66 135.00 134.73 1jcq n PRO 354 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1jcq n PRO 354 Cb 0.63 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1jcq n PRO 354 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcq n GLY 355 N 2.87 0.25 3.93 -1.23 0.00 -1.26 -5.07 105.19 104.68 1jcq n GLY 355 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1jcq n GLY 355 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jcq s LYS 356 N -0.98 3.51 0.36 1.61 -0.14 -0.66 -5.08 119.74 118.35 1jcq s LYS 356 Ca 0.00 -0.38 -0.23 0.00 -1.36 0.00 0.00 55.97 54.00 1jcq s LYS 356 Cb 0.00 -2.85 -0.10 0.00 -1.68 0.00 0.00 37.83 33.20 1jcq s LYS 356 CO 0.00 0.40 0.92 -1.12 -0.76 0.00 0.00 175.35 174.80 1jcq s SER 357 N -3.23 7.13 0.84 2.83 0.01 -1.26 -4.88 113.70 115.14 1jcq s SER 357 Ca 0.38 1.72 -0.11 0.00 1.31 0.00 0.00 55.95 59.25 1jcq s SER 357 Cb -0.11 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.67 1jcq s SER 357 CO 0.29 -0.19 1.09 0.00 0.41 0.00 0.00 173.24 174.85 1jcq s ARG 358 N -2.55 1.74 0.01 12.44 1.70 -1.26 -4.69 118.95 126.35 1jcq s ARG 358 Ca 0.55 0.97 -0.28 0.00 -0.47 0.00 0.00 55.73 56.50 1jcq s ARG 358 Cb -0.14 -1.85 0.10 0.00 -0.57 0.00 0.00 34.95 32.48 1jcq s ARG 358 CO 0.19 -1.95 0.84 0.16 -1.08 0.00 0.00 175.30 173.46 1jcq s ASP 359 N -3.43 -0.41 0.40 -2.89 1.47 -1.20 -5.03 116.67 105.58 1jcq s ASP 359 Ca 0.62 0.06 0.09 0.00 1.18 0.00 0.00 52.55 54.50 1jcq s ASP 359 Cb -0.17 0.42 0.83 0.00 -0.34 0.00 0.00 42.92 43.66 1jcq s ASP 359 CO 0.56 -0.66 1.97 -0.26 0.68 0.00 0.00 175.17 177.46 1jcq h PHE 360 N 2.08 0.31 -0.00 2.11 -1.00 -1.97 -1.81 116.94 116.65 1jcq h PHE 360 Ca -0.24 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.52 1jcq h PHE 360 Cb 1.24 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 1jcq h PHE 360 CO 0.26 0.34 0.00 -0.92 -1.61 0.00 0.00 178.31 176.38 1jcq h TYR 361 N 0.30 0.00 -0.19 -0.55 3.20 -1.95 -1.14 116.97 116.64 1jcq h TYR 361 Ca 0.07 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 1jcq h TYR 361 Cb 0.24 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1jcq h TYR 361 CO 0.00 0.08 -0.44 0.45 -1.64 0.00 0.00 178.16 176.62 1jcq h HIS 362 N -0.08 0.55 -0.36 -3.82 3.86 -1.78 -1.37 115.15 112.14 1jcq h HIS 362 Ca 0.00 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1jcq h HIS 362 Cb 0.08 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.41 1jcq h HIS 362 CO -0.05 0.82 0.18 1.15 0.86 0.00 0.00 177.93 180.89 1jcq h THR 363 N 0.37 0.98 -0.02 2.45 2.02 -1.15 0.13 112.91 117.70 1jcq h THR 363 Ca 0.03 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1jcq h THR 363 Cb 0.92 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1jcq h THR 363 CO 0.08 0.07 0.01 0.00 0.37 0.00 0.00 175.52 176.05 1jcq h TYR 365 N 0.01 0.00 -0.31 0.00 -1.99 -1.00 -1.38 116.97 112.30 1jcq h TYR 365 Ca 0.01 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.56 1jcq h TYR 365 Cb 0.01 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 1jcq h TYR 365 CO -0.07 0.58 -0.48 0.00 -0.00 0.00 0.00 178.16 178.19 1jcq h LEU 367 N 0.65 0.94 -0.57 0.00 3.38 -1.41 -0.28 115.31 118.02 1jcq h LEU 367 Ca 0.03 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1jcq h LEU 367 Cb 1.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1jcq h LEU 367 CO 0.11 1.26 0.37 0.28 0.09 0.00 0.00 178.44 180.55 1jcq h SER 368 N 0.67 0.66 -0.55 -0.43 0.02 -1.17 -0.58 113.55 112.17 1jcq h SER 368 Ca 0.03 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1jcq h SER 368 Cb 1.08 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1jcq h SER 368 CO 0.11 0.49 -0.02 1.23 -1.14 0.00 0.00 176.83 177.50 1jcq h GLY 369 N 0.77 1.07 0.76 -3.77 0.00 -1.09 -1.82 103.07 98.98 1jcq h GLY 369 Ca 0.21 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.77 1jcq h GLY 369 CO -0.04 0.73 0.14 -2.00 0.00 0.00 0.00 176.54 175.37 1jcq h LEU 370 N 0.87 0.19 -1.00 3.11 5.85 -0.57 0.21 115.31 123.96 1jcq h LEU 370 Ca 0.15 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1jcq h LEU 370 Cb 0.56 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1jcq h LEU 370 CO 0.03 0.15 0.66 -1.28 -0.34 0.00 0.00 178.44 177.66 1jcq h SER 371 N 0.31 1.15 -0.45 1.25 0.87 -0.88 -0.61 113.55 115.19 1jcq h SER 371 Ca 0.15 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 1jcq h SER 371 Cb 0.10 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1jcq h SER 371 CO -0.14 0.84 -0.27 0.40 -0.53 0.00 0.00 176.83 177.13 1jcq h ILE 372 N 1.36 1.27 0.00 2.23 2.04 -0.79 -1.81 117.51 121.80 1jcq h ILE 372 Ca 0.37 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1jcq h ILE 372 Cb -0.16 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1jcq h ILE 372 CO -0.08 0.49 -0.16 0.00 0.00 0.00 0.00 178.15 178.40 1jcq h ALA 373 N 0.85 1.28 0.05 1.87 0.00 -0.36 -2.99 119.26 119.97 1jcq h ALA 373 Ca 0.10 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 1jcq h ALA 373 Cb 0.85 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1jcq h ALA 373 CO 0.08 0.20 -1.49 1.96 0.00 0.00 0.00 179.25 180.00 1jcq h GLN 374 N 0.00 0.11 -5.22 0.00 4.20 -0.85 -3.44 115.11 109.92 1jcq h GLN 374 Ca -0.00 -0.19 -0.67 0.00 0.06 0.00 0.00 58.65 57.85 1jcq h GLN 374 Cb 0.42 0.07 -0.32 0.00 0.30 0.00 0.00 27.48 27.95 1jcq h GLN 374 CO 0.02 0.89 -0.84 -1.01 -0.67 0.00 0.00 178.83 177.22 1jcq s HIS 375 N -2.63 2.72 0.01 2.96 3.76 -0.71 -0.87 115.29 120.52 1jcq s HIS 375 Ca -0.06 -1.13 0.06 0.00 -0.15 0.00 0.00 55.06 53.78 1jcq s HIS 375 Cb 0.08 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1jcq s HIS 375 CO 0.83 -0.50 -0.18 0.12 -0.85 0.00 0.00 174.74 174.16 1jcq s PHE 376 N 0.73 2.57 -0.28 1.40 5.36 -0.73 -4.80 117.98 122.24 1jcq s PHE 376 Ca -0.08 -0.25 -0.21 0.00 -0.96 0.00 0.00 56.93 55.43 1jcq s PHE 376 Cb -0.16 -1.52 0.08 0.00 -0.34 0.00 0.00 43.02 41.08 1jcq s PHE 376 CO 0.01 0.19 0.73 0.20 -1.46 0.00 0.00 175.22 174.89 1jcq s GLY 377 N -1.11 -0.55 -0.29 13.12 0.00 -1.26 -1.62 107.32 115.62 1jcq s GLY 377 Ca 0.13 2.28 -0.00 0.00 0.00 0.00 0.00 44.72 47.13 1jcq s GLY 377 CO 0.03 2.09 0.54 -0.45 0.00 0.00 0.00 173.10 175.31 1jcq s SER 378 N 0.99 -0.95 0.24 1.64 0.15 -0.31 -5.00 113.70 110.46 1jcq s SER 378 Ca -0.05 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1jcq s SER 378 Cb -0.05 1.86 0.00 0.00 -1.71 0.00 0.00 66.02 66.12 1jcq s SER 378 CO -0.10 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1jcq n GLY 379 N 5.41 0.87 0.77 9.45 0.00 -1.26 -2.31 105.19 118.13 1jcq n GLY 379 Ca -0.01 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.24 1jcq n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jcq n ALA 380 N 7.92 2.66 -2.66 4.61 0.00 -1.26 -4.84 120.51 126.94 1jcq n ALA 380 Ca 0.00 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 1jcq n ALA 380 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1jcq n ALA 380 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1jcq s MET 381 N -1.63 4.24 0.06 0.00 0.00 -0.98 -5.05 119.30 115.94 1jcq s MET 381 Ca 0.23 1.00 0.06 0.00 0.00 0.00 0.00 55.69 56.97 1jcq s MET 381 Cb 0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 34.83 31.33 1jcq s MET 381 CO 0.13 -0.44 -0.16 -0.51 0.00 0.00 0.00 175.02 174.04 1jcq s LEU 382 N 2.54 2.24 -0.30 4.11 2.01 -1.26 -1.16 118.68 126.85 1jcq s LEU 382 Ca 0.37 -0.57 -0.07 0.00 0.01 0.00 0.00 54.13 53.87 1jcq s LEU 382 Cb -0.16 -0.64 0.17 0.00 0.01 0.00 0.00 46.19 45.57 1jcq s LEU 382 CO 0.09 0.00 0.75 -2.28 1.01 0.00 0.00 176.35 175.92 1jcq s HIS 383 N -1.07 -1.23 0.14 0.29 2.46 -0.64 -4.98 115.29 110.26 1jcq s HIS 383 Ca 0.01 1.59 0.03 0.00 0.47 0.00 0.00 55.06 57.16 1jcq s HIS 383 Cb -0.09 0.54 -0.04 0.00 -0.13 0.00 0.00 32.58 32.86 1jcq s HIS 383 CO 0.02 -0.65 0.27 -0.51 -2.47 0.00 0.00 174.74 171.40 1jcq s ASP 384 N 2.83 6.27 -0.38 9.88 -0.00 -1.26 -1.77 116.67 132.23 1jcq s ASP 384 Ca 0.07 0.15 0.02 0.00 -0.00 0.00 0.00 52.55 52.80 1jcq s ASP 384 Cb -0.12 -1.88 0.16 0.00 -0.00 0.00 0.00 42.92 41.08 1jcq s ASP 384 CO -0.18 0.06 0.31 -0.69 -0.00 0.00 0.00 175.17 174.67 1jcq s VAL 385 N -1.73 0.06 -0.59 -1.27 1.01 -0.05 -5.02 120.40 112.82 1jcq s VAL 385 Ca 0.34 -1.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.29 1jcq s VAL 385 Cb -0.11 -1.02 0.14 0.00 0.00 0.00 0.00 36.38 35.39 1jcq s VAL 385 CO 0.28 -0.96 0.56 -0.69 0.00 0.00 0.00 175.10 174.29 1jcq s VAL 386 N 0.77 5.23 0.36 2.92 1.01 -1.26 -4.31 120.40 125.12 1jcq s VAL 386 Ca 0.24 -1.59 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 1jcq s VAL 386 Cb -0.11 -4.37 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 1jcq s VAL 386 CO -0.07 -0.92 1.27 -0.22 0.00 0.00 0.00 175.10 175.16 1jcq s LEU 387 N 1.49 4.34 0.00 3.92 2.96 -1.26 -4.81 118.68 125.32 1jcq s LEU 387 Ca 0.06 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1jcq s LEU 387 Cb -0.27 -3.78 0.00 0.00 0.50 0.00 0.00 46.19 42.64 1jcq s LEU 387 CO 0.02 -0.62 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 1jcq n GLY 388 N 0.76 -1.05 3.77 7.98 0.00 -1.26 -4.83 105.19 110.56 1jcq n GLY 388 Ca 0.02 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 1jcq n GLY 388 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jcq s VAL 389 N 0.00 2.56 0.50 1.61 -7.23 -0.77 -4.84 120.40 112.23 1jcq s VAL 389 Ca 0.00 0.53 0.28 0.00 -1.81 0.00 0.00 61.98 60.98 1jcq s VAL 389 Cb 0.00 -3.33 0.46 0.00 0.56 0.00 0.00 36.38 34.07 1jcq s VAL 389 CO 0.00 0.10 1.87 -0.65 -0.31 0.00 0.00 175.10 176.11 1jcq h PRO 390 N 2.96 0.11 0.00 4.82 0.11 -1.89 0.58 132.00 138.68 1jcq h PRO 390 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jcq h PRO 390 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jcq h PRO 390 CO 0.64 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1jcq n GLU 391 N -4.34 0.15 0.24 1.05 4.71 -1.26 -1.79 120.64 119.39 1jcq n GLU 391 Ca 0.20 0.59 0.10 0.00 -0.01 0.00 0.00 57.16 58.03 1jcq n GLU 391 Cb 0.92 -1.94 0.59 0.00 -1.01 0.00 0.00 31.44 30.00 1jcq n GLU 391 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1jcq h ASN 392 N 0.00 0.00 -2.09 1.62 2.35 -1.19 -3.45 115.58 112.82 1jcq h ASN 392 Ca 0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 1jcq h ASN 392 Cb 0.08 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.50 1jcq h ASN 392 CO 0.00 0.19 0.82 0.00 -1.65 0.00 0.00 177.43 176.79 1jcq n ALA 393 N -2.32 0.82 -2.11 -0.83 0.00 -0.74 -4.96 120.51 110.38 1jcq n ALA 393 Ca -0.01 0.42 -0.19 0.00 0.00 0.00 0.00 53.44 53.65 1jcq n ALA 393 Cb 0.31 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.41 1jcq n ALA 393 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jcq s LEU 394 N 1.68 3.50 0.45 0.00 1.43 -1.26 -5.02 118.68 119.45 1jcq s LEU 394 Ca 0.84 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 53.12 1jcq s LEU 394 Cb -0.74 -2.33 -0.08 0.00 0.03 0.00 0.00 46.19 43.07 1jcq s LEU 394 CO 0.44 -0.74 1.07 -1.10 0.23 0.00 0.00 176.35 176.25 1jcq s GLN 395 N -4.26 3.92 0.65 1.70 -1.52 0.74 -5.00 119.66 115.90 1jcq s GLN 395 Ca 0.52 1.52 -0.15 0.00 -1.95 0.00 0.00 55.36 55.30 1jcq s GLN 395 Cb -0.07 -2.34 -0.01 0.00 -0.22 0.00 0.00 33.01 30.37 1jcq s GLN 395 CO 0.31 -0.36 1.09 -1.25 -0.25 0.00 0.00 175.29 174.84 1jcq s PRO 396 N -2.81 2.90 0.07 2.91 0.04 -1.26 -4.83 135.00 132.02 1jcq s PRO 396 Ca 0.63 1.32 0.07 0.00 0.04 0.00 0.00 61.00 63.06 1jcq s PRO 396 Cb -0.22 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1jcq s PRO 396 CO 0.27 -1.16 -0.20 -0.08 0.04 0.00 0.00 177.00 175.87 1jcq s THR 397 N -2.42 1.58 -0.06 1.26 -1.32 -1.26 -4.31 115.64 109.12 1jcq s THR 397 Ca 0.65 -1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 1jcq s THR 397 Cb -0.19 -1.41 -0.03 0.00 -1.51 0.00 0.00 72.50 69.36 1jcq s THR 397 CO 0.42 0.06 1.09 -2.28 -2.21 0.00 0.00 174.62 171.70 1jcq s HIS 398 N -0.96 3.41 0.45 9.09 2.46 -0.00 -4.79 115.29 124.95 1jcq s HIS 398 Ca 0.06 1.45 0.12 0.00 0.47 0.00 0.00 55.06 57.16 1jcq s HIS 398 Cb -0.09 -3.28 1.00 0.00 -0.13 0.00 0.00 32.58 30.08 1jcq s HIS 398 CO 0.03 -0.68 2.03 -1.00 -2.47 0.00 0.00 174.74 172.65 1jcq h PRO 399 N 7.15 0.15 0.01 2.88 0.13 -1.92 0.77 132.00 141.16 1jcq h PRO 399 Ca -0.35 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1jcq h PRO 399 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1jcq h PRO 399 CO 0.84 0.21 -0.01 0.28 -0.23 0.00 0.00 178.00 179.10 1jcq h VAL 400 N 0.15 1.30 0.00 1.56 2.07 -1.92 -3.40 116.25 116.01 1jcq h VAL 400 Ca 0.04 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1jcq h VAL 400 Cb 0.18 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1jcq h VAL 400 CO 0.01 0.43 -1.21 -1.22 0.02 0.00 0.00 177.57 175.59 1jcq n TYR 401 N -4.68 0.43 -3.66 1.57 4.02 -1.21 -4.97 117.16 108.65 1jcq n TYR 401 Ca -0.07 0.13 -0.23 0.00 -0.01 0.00 0.00 57.90 57.71 1jcq n TYR 401 Cb 0.34 -0.61 0.06 0.00 -0.02 0.00 0.00 39.34 39.11 1jcq n TYR 401 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jcq n ASN 402 N -2.25 -3.44 -4.04 7.72 5.15 0.27 -4.98 115.26 113.70 1jcq n ASN 402 Ca 0.00 -0.70 -0.08 0.00 -0.60 0.00 0.00 54.58 53.21 1jcq n ASN 402 Cb 0.50 -4.50 -0.10 0.00 -0.53 0.00 0.00 39.78 35.14 1jcq n ASN 402 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1jcq s ILE 403 N -3.43 0.18 0.42 -1.44 -4.36 -1.26 -4.86 121.20 106.46 1jcq s ILE 403 Ca 0.29 -1.50 -0.23 0.00 -0.26 0.00 0.00 60.65 58.96 1jcq s ILE 403 Cb -0.14 -1.16 -0.12 0.00 1.25 0.00 0.00 42.46 42.29 1jcq s ILE 403 CO 0.78 -0.83 0.60 0.61 0.24 0.00 0.00 174.94 176.34 1jcq n GLY 404 N 0.51 -1.35 0.31 6.27 0.00 -1.26 -0.82 105.19 108.84 1jcq n GLY 404 Ca -0.17 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 1jcq n GLY 404 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jcq h PRO 405 N 0.87 0.82 -0.15 1.61 0.11 -1.87 -2.23 132.00 131.16 1jcq h PRO 405 Ca -0.41 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1jcq h PRO 405 Cb 1.39 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1jcq h PRO 405 CO 0.52 0.71 0.10 0.38 -0.21 0.00 0.00 178.00 179.50 1jcq h ASP 406 N 0.80 0.18 -0.85 -2.05 2.03 -1.93 -2.44 116.42 112.16 1jcq h ASP 406 Ca 0.18 -0.03 0.07 0.00 -0.73 0.00 0.00 57.03 56.53 1jcq h ASP 406 Cb 0.23 -0.05 -0.06 0.00 -0.83 0.00 0.00 39.33 38.63 1jcq h ASP 406 CO -0.01 0.15 0.55 0.11 -1.03 0.00 0.00 179.24 179.02 1jcq h LYS 407 N 0.19 0.89 0.34 4.15 1.79 -1.80 -1.04 116.57 121.10 1jcq h LYS 407 Ca 0.06 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1jcq h LYS 407 Cb 0.00 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.45 1jcq h LYS 407 CO -0.01 0.59 -0.16 0.28 -1.08 0.00 0.00 179.45 179.07 1jcq h VAL 408 N 0.92 0.68 -0.13 0.50 2.07 -1.15 -0.65 116.25 118.48 1jcq h VAL 408 Ca 0.37 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1jcq h VAL 408 Cb 0.26 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1jcq h VAL 408 CO -0.14 0.06 0.01 0.40 0.02 0.00 0.00 177.57 177.92 1jcq h ILE 409 N -0.63 0.92 -0.09 4.57 2.04 -1.03 0.15 117.51 123.44 1jcq h ILE 409 Ca -0.05 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1jcq h ILE 409 Cb 0.45 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1jcq h ILE 409 CO 0.08 0.01 -0.10 -0.61 0.00 0.00 0.00 178.15 177.52 1jcq h GLN 410 N 0.06 -0.13 0.01 2.37 4.15 -1.23 0.91 115.11 121.24 1jcq h GLN 410 Ca 0.06 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.49 1jcq h GLN 410 Cb 0.07 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1jcq h GLN 410 CO -0.10 -0.09 -0.00 0.00 -1.93 0.00 0.00 178.83 176.71 1jcq h ALA 411 N 0.92 -0.01 -0.22 3.38 0.00 -0.89 -1.64 119.26 120.80 1jcq h ALA 411 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1jcq h ALA 411 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jcq h ALA 411 CO -0.17 -0.44 -0.12 1.79 0.00 0.00 0.00 179.25 180.31 1jcq h THR 412 N -0.14 1.20 -0.21 0.00 1.35 -0.87 -2.04 112.91 112.20 1jcq h THR 412 Ca -0.00 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 1jcq h THR 412 Cb 0.14 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1jcq h THR 412 CO 0.00 0.28 0.06 0.74 -0.25 0.00 0.00 175.52 176.35 1jcq h THR 413 N 0.33 1.20 0.18 6.82 2.02 -0.66 -0.92 112.91 121.88 1jcq h THR 413 Ca 0.07 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1jcq h THR 413 Cb 0.42 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1jcq h THR 413 CO 0.02 0.20 -0.26 0.22 0.37 0.00 0.00 175.52 176.08 1jcq h TYR 414 N 0.16 -0.70 0.00 3.16 3.20 -0.86 -2.75 116.97 119.18 1jcq h TYR 414 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1jcq h TYR 414 Cb 0.26 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1jcq h TYR 414 CO 0.01 -0.37 -0.05 0.74 -1.64 0.00 0.00 178.16 176.85 1jcq h PHE 415 N -0.51 0.00 0.00 -3.82 -1.00 -1.39 -2.55 116.94 107.67 1jcq h PHE 415 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1jcq h PHE 415 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1jcq h PHE 415 CO -0.21 0.05 0.00 -0.07 -1.61 0.00 0.00 178.31 176.47 1jcq h LEU 416 N 0.00 0.00 -0.14 1.54 3.38 -0.85 -1.95 115.31 117.29 1jcq h LEU 416 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jcq h LEU 416 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jcq h LEU 416 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1jcq n GLN 417 N -2.75 1.10 -4.29 1.13 6.02 -0.96 -4.80 117.38 112.82 1jcq n GLN 417 Ca 0.01 -0.14 -0.25 0.00 -0.01 0.00 0.00 57.00 56.61 1jcq n GLN 417 Cb 0.28 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 1jcq n GLN 417 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jcq s LYS 418 N -2.00 2.17 0.48 -1.09 1.02 -0.74 -5.14 119.74 114.45 1jcq s LYS 418 Ca 0.46 -1.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.05 1jcq s LYS 418 Cb 0.22 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1jcq s LYS 418 CO 0.36 0.41 0.83 -1.25 -0.92 0.00 0.00 175.35 174.78 1jcq s PRO 419 N -3.16 3.65 -0.04 -1.68 0.04 -1.26 -5.02 135.00 127.53 1jcq s PRO 419 Ca 0.28 0.42 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 1jcq s PRO 419 Cb -0.08 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1jcq s PRO 419 CO 0.17 -0.21 1.36 0.08 0.04 0.00 0.00 177.00 178.44 1jcq s VAL 420 N -2.68 3.91 -0.42 -0.36 1.01 -1.26 -4.87 120.40 115.73 1jcq s VAL 420 Ca 0.51 1.24 -0.38 0.00 0.00 0.00 0.00 61.98 63.34 1jcq s VAL 420 Cb -0.10 -3.80 -0.16 0.00 0.00 0.00 0.00 36.38 32.32 1jcq s VAL 420 CO 0.41 -0.03 1.65 -2.65 0.00 0.00 0.00 175.10 174.49 1jcq n PRO 421 N 5.68 0.00 -1.82 2.72 -0.02 -1.26 -1.16 135.00 139.14 1jcq n PRO 421 Ca 0.13 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 1jcq n PRO 421 Cb 0.44 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.59 1jcq n PRO 421 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jcq n GLY 422 N 5.33 1.31 2.92 -1.23 0.00 -1.26 -4.99 105.19 107.27 1jcq n GLY 422 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 1jcq n GLY 422 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jcq s PHE 423 N -2.83 0.62 0.00 1.61 5.36 -0.31 -5.27 117.98 117.16 1jcq s PHE 423 Ca 0.00 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1jcq s PHE 423 Cb 0.00 -0.51 0.00 0.00 -0.34 0.00 0.00 43.02 42.17 1jcq s PHE 423 CO 0.00 -0.11 0.00 0.39 -1.46 0.00 0.00 175.22 174.04