#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcb n GLU 5 N 0.00 0.53 0.00 -0.52 -0.58 -1.26 -1.18 120.64 117.63 1xcb n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xcb n GLU 5 Cb 0.00 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1xcb n GLU 5 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xcb n ALA 6 N 1.56 1.39 1.93 0.62 0.00 -1.26 -4.66 120.51 120.09 1xcb n ALA 6 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1xcb n ALA 6 Cb 0.26 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.33 1xcb n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcb n ALA 7 N -1.03 2.59 -0.08 0.00 0.00 -0.32 -3.65 120.51 118.01 1xcb n ALA 7 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 1xcb n ALA 7 Cb 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 1xcb n ALA 7 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xcb h ILE 8 N 0.00 1.23 -0.04 0.00 5.03 -1.83 -1.99 117.51 119.91 1xcb h ILE 8 Ca 0.00 -2.26 0.01 0.00 -0.12 0.00 0.00 64.86 62.50 1xcb h ILE 8 Cb 0.00 2.67 -0.00 0.00 -3.03 0.00 0.00 36.82 36.46 1xcb h ILE 8 CO 0.00 0.45 0.04 0.77 -0.68 0.00 0.00 178.15 178.73 1xcb h SER 9 N -0.94 0.00 0.21 1.72 4.64 -1.91 0.41 113.55 117.68 1xcb h SER 9 Ca -0.22 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.90 1xcb h SER 9 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1xcb h SER 9 CO -0.12 0.00 -0.77 -0.09 -0.87 0.00 0.00 176.83 174.98 1xcb h ARG 10 N 0.00 0.46 -0.24 4.77 2.43 -1.63 -1.90 114.38 118.28 1xcb h ARG 10 Ca 0.02 -0.40 -0.17 0.00 -0.81 0.00 0.00 59.98 58.62 1xcb h ARG 10 Cb 0.10 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1xcb h ARG 10 CO -0.00 1.03 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.91 1xcb h LEU 11 N 0.31 0.87 -0.64 3.80 3.38 0.44 0.24 115.31 123.69 1xcb h LEU 11 Ca -0.04 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 1xcb h LEU 11 Cb 1.37 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1xcb h LEU 11 CO 0.14 1.26 0.37 0.40 0.09 0.00 0.00 178.44 180.69 1xcb h ILE 12 N 0.52 1.20 -0.36 1.22 2.04 -0.56 -1.27 117.51 120.29 1xcb h ILE 12 Ca 0.01 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1xcb h ILE 12 Cb 1.12 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1xcb h ILE 12 CO 0.11 0.21 0.22 0.74 0.00 0.00 0.00 178.15 179.43 1xcb h THR 13 N 0.88 1.12 -0.98 -0.27 2.02 -1.12 -2.65 112.91 111.91 1xcb h THR 13 Ca 0.23 -0.27 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1xcb h THR 13 Cb 0.02 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1xcb h THR 13 CO -0.04 0.12 0.64 1.88 0.37 0.00 0.00 175.52 178.49 1xcb h TYR 14 N 0.47 1.18 -0.12 3.16 0.05 -0.31 -2.02 116.97 119.38 1xcb h TYR 14 Ca 0.13 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1xcb h TYR 14 Cb 0.00 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 37.35 1xcb h TYR 14 CO -0.04 0.64 0.03 1.25 -1.05 0.00 0.00 178.16 178.99 1xcb h LEU 15 N 1.18 0.19 -0.07 3.88 5.85 -1.05 -1.31 115.31 123.97 1xcb h LEU 15 Ca 0.41 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1xcb h LEU 15 Cb 0.10 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1xcb h LEU 15 CO -0.14 0.38 -0.44 -0.09 -0.34 0.00 0.00 178.44 177.81 1xcb h ARG 16 N -0.01 -0.52 -0.97 1.25 2.43 -1.19 0.34 114.38 115.71 1xcb h ARG 16 Ca 0.04 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.50 1xcb h ARG 16 Cb 0.27 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1xcb h ARG 16 CO 0.00 -0.35 0.67 0.82 -1.51 0.00 0.00 179.97 179.60 1xcb h ILE 17 N -0.54 0.56 0.00 1.20 1.08 -1.22 0.12 117.51 118.70 1xcb h ILE 17 Ca 0.06 -0.07 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1xcb h ILE 17 Cb 0.65 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1xcb h ILE 17 CO -0.37 0.03 -0.58 -0.07 -0.69 0.00 0.00 178.15 176.48 1xcb h LEU 18 N 0.19 0.00 0.00 1.44 3.38 0.69 -2.00 115.31 119.00 1xcb h LEU 18 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1xcb h LEU 18 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1xcb h LEU 18 CO -0.11 0.19 -0.27 -0.62 0.09 0.00 0.00 178.44 177.72 1xcb n GLU 19 N -2.98 0.23 -0.12 1.13 1.02 0.76 -2.59 120.64 118.09 1xcb n GLU 19 Ca 0.01 0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.12 1xcb n GLU 19 Cb 0.62 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 30.20 1xcb n GLU 19 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xcb n GLU 20 N -2.09 0.67 0.29 3.49 0.28 -0.99 -2.02 120.64 120.27 1xcb n GLU 20 Ca 0.05 0.10 0.20 0.00 -0.16 0.00 0.00 57.16 57.35 1xcb n GLU 20 Cb 0.42 -1.53 1.04 0.00 1.43 0.00 0.00 31.44 32.81 1xcb n GLU 20 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1xcb h LEU 21 N 0.00 0.00 0.00 -1.84 6.46 -1.40 0.35 115.31 118.89 1xcb h LEU 21 Ca -0.56 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.11 1xcb h LEU 21 Cb 2.02 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.93 1xcb h LEU 21 CO -0.05 0.00 -1.58 1.21 -0.62 0.00 0.00 178.44 177.40 1xcb n GLU 22 N -2.87 1.31 -0.02 1.25 2.13 -1.07 -0.71 120.64 120.66 1xcb n GLU 22 Ca -0.02 -0.05 0.01 0.00 0.66 0.00 0.00 57.16 57.76 1xcb n GLU 22 Cb 0.07 -1.25 0.34 0.00 0.27 0.00 0.00 31.44 30.87 1xcb n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xcb h ALA 23 N 0.74 1.51 -0.71 4.31 0.00 -0.40 0.82 119.26 125.53 1xcb h ALA 23 Ca -0.13 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1xcb h ALA 23 Cb 1.03 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 1xcb h ALA 23 CO 0.01 0.38 0.23 0.00 0.00 0.00 0.00 179.25 179.87 1xcb n GLN 24 N -4.37 3.94 -2.85 0.00 10.64 0.11 -5.00 117.38 119.85 1xcb n GLN 24 Ca 0.03 -3.06 0.00 0.00 -1.83 0.00 0.00 57.00 52.14 1xcb n GLN 24 Cb 0.15 -2.23 0.00 0.00 -0.86 0.00 0.00 30.24 27.30 1xcb n GLN 24 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1xcb n GLY 25 N 0.00 0.00 2.28 2.61 0.00 0.29 -4.97 105.19 105.39 1xcb n GLY 25 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 1xcb n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xcb n VAL 26 N 1.28 0.33 -0.01 1.61 0.31 0.11 -4.93 118.33 117.02 1xcb n VAL 26 Ca 0.00 -4.44 0.01 0.00 -0.01 0.00 0.00 64.34 59.90 1xcb n VAL 26 Cb 0.40 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1xcb n VAL 26 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1xcb n HIS 27 N 1.13 0.05 -4.24 3.52 -0.00 -1.26 -4.46 115.22 109.95 1xcb n HIS 27 Ca 0.24 0.05 -0.19 0.00 0.46 0.00 0.00 57.72 58.29 1xcb n HIS 27 Cb 0.50 -0.55 -0.11 0.00 -0.12 0.00 0.00 29.99 29.71 1xcb n HIS 27 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1xcb s ARG 28 N -4.20 1.03 0.30 1.57 0.52 -1.26 -1.99 118.95 114.92 1xcb s ARG 28 Ca -0.00 -1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1xcb s ARG 28 Cb 0.01 -0.97 -0.01 0.00 0.52 0.00 0.00 34.95 34.50 1xcb s ARG 28 CO 0.03 0.20 0.38 -0.08 0.02 0.00 0.00 175.30 175.85 1xcb s THR 29 N -1.94 0.00 -0.11 0.02 -1.32 0.05 -4.81 115.64 107.53 1xcb s THR 29 Ca 0.08 -1.72 -0.17 0.00 -1.21 0.00 0.00 61.69 58.67 1xcb s THR 29 Cb -0.06 -2.53 0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1xcb s THR 29 CO 0.03 0.00 0.44 -0.55 -2.21 0.00 0.00 174.62 172.33 1xcb s SER 30 N -3.22 -0.41 0.27 8.08 0.15 -1.26 -0.99 113.70 116.31 1xcb s SER 30 Ca 0.33 0.65 0.19 0.00 0.70 0.00 0.00 55.95 57.82 1xcb s SER 30 Cb 0.01 0.70 0.90 0.00 -1.71 0.00 0.00 66.02 65.92 1xcb s SER 30 CO 0.19 -0.29 0.95 -1.54 1.20 0.00 0.00 173.24 173.74 1xcb n SER 31 N 2.16 0.13 0.03 5.45 3.41 -1.26 0.13 113.62 123.67 1xcb n SER 31 Ca -0.16 0.85 -0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1xcb n SER 31 Cb 0.57 -0.42 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1xcb n SER 31 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xcb h GLU 32 N 0.00 -0.06 0.23 4.33 3.07 -1.96 0.20 114.58 120.39 1xcb h GLU 32 Ca 0.53 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1xcb h GLU 32 Cb 1.71 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.62 1xcb h GLU 32 CO -0.29 0.23 -0.17 0.37 -1.40 0.00 0.00 179.01 177.76 1xcb h GLN 33 N -0.36 -0.39 0.03 2.33 4.15 0.64 0.38 115.11 121.90 1xcb h GLN 33 Ca -0.01 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1xcb h GLN 33 Cb 0.32 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1xcb h GLN 33 CO 0.01 -0.26 -0.36 -0.07 -1.93 0.00 0.00 178.83 176.23 1xcb h LEU 34 N -0.40 -1.09 -2.33 -2.39 3.38 -1.20 -0.86 115.31 110.43 1xcb h LEU 34 Ca -0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xcb h LEU 34 Cb 0.35 0.41 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1xcb h LEU 34 CO 0.00 -0.36 -0.04 1.23 0.09 0.00 0.00 178.44 179.36 1xcb h GLY 35 N -0.47 0.00 0.72 0.83 0.00 -0.60 0.98 103.07 104.54 1xcb h GLY 35 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1xcb h GLY 35 CO -0.22 0.00 -0.11 -2.09 0.00 0.00 0.00 176.54 174.12 1xcb h GLU 36 N 0.00 -0.29 0.00 4.80 4.22 0.04 0.40 114.58 123.75 1xcb h GLU 36 Ca -0.00 0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.38 1xcb h GLU 36 Cb 0.15 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xcb h GLU 36 CO 0.01 0.00 -0.38 -0.07 -2.18 0.00 0.00 179.01 176.39 1xcb h LEU 37 N -0.58 0.00 0.00 1.64 3.38 -0.74 -3.12 115.31 115.89 1xcb h LEU 37 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1xcb h LEU 37 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1xcb h LEU 37 CO 0.05 0.38 -0.78 0.00 0.09 0.00 0.00 178.44 178.17 1xcb h ALA 38 N 1.62 0.68 -2.05 1.53 0.00 -0.71 -3.49 119.26 116.85 1xcb h ALA 38 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1xcb h ALA 38 Cb 0.94 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xcb h ALA 38 CO 0.05 0.53 -0.08 1.04 0.00 0.00 0.00 179.25 180.79 1xcb n GLN 39 N -3.02 -0.80 -3.72 0.00 6.02 0.12 -5.03 117.38 110.94 1xcb n GLN 39 Ca -0.02 0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 56.95 1xcb n GLN 39 Cb 0.71 -2.88 -0.11 0.00 1.02 0.00 0.00 30.24 28.99 1xcb n GLN 39 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1xcb s VAL 40 N -3.04 -0.01 0.39 5.09 -7.23 0.04 -5.04 120.40 110.58 1xcb s VAL 40 Ca 0.03 0.05 -0.19 0.00 -1.81 0.00 0.00 61.98 60.06 1xcb s VAL 40 Cb -0.01 -0.56 -0.14 0.00 0.56 0.00 0.00 36.38 36.22 1xcb s VAL 40 CO 0.08 0.02 0.03 0.35 -0.31 0.00 0.00 175.10 175.28 1xcb n THR 41 N 3.61 0.45 0.23 5.32 -2.24 -1.26 -4.31 114.28 116.07 1xcb n THR 41 Ca -0.19 -0.45 0.08 0.00 -2.27 0.00 0.00 64.05 61.22 1xcb n THR 41 Cb 0.56 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 69.34 1xcb n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcb h ALA 42 N 0.22 1.41 -0.11 6.98 0.00 -1.90 -2.60 119.26 123.26 1xcb h ALA 42 Ca -0.34 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1xcb h ALA 42 Cb 1.31 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1xcb h ALA 42 CO 0.41 0.26 -0.06 0.35 0.00 0.00 0.00 179.25 180.21 1xcb h PHE 43 N 0.00 -0.15 -0.08 0.00 3.57 -1.91 -2.78 116.94 115.60 1xcb h PHE 43 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1xcb h PHE 43 Cb 0.44 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1xcb h PHE 43 CO 0.00 -0.10 -0.40 0.37 -2.23 0.00 0.00 178.31 175.95 1xcb h GLN 44 N -0.06 0.17 -0.95 1.11 4.15 -1.79 -1.70 115.11 116.04 1xcb h GLN 44 Ca 0.07 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1xcb h GLN 44 Cb 0.15 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.79 1xcb h GLN 44 CO -0.15 0.54 0.59 0.28 -1.93 0.00 0.00 178.83 178.17 1xcb h VAL 45 N 0.14 1.26 0.05 2.39 2.07 -1.25 -1.29 116.25 119.62 1xcb h VAL 45 Ca 0.01 -0.53 -0.23 0.00 0.82 0.00 0.00 66.70 66.77 1xcb h VAL 45 Cb 0.77 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1xcb h VAL 45 CO 0.06 0.26 -1.08 0.03 0.02 0.00 0.00 177.57 176.86 1xcb h ARG 46 N 1.30 0.10 -1.01 1.57 3.08 -1.41 -2.37 114.38 115.65 1xcb h ARG 46 Ca 0.34 -0.17 0.12 0.00 0.07 0.00 0.00 59.98 60.34 1xcb h ARG 46 Cb -0.09 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 29.94 1xcb h ARG 46 CO -0.07 1.08 0.64 -0.22 -1.07 0.00 0.00 179.97 180.33 1xcb h LYS 47 N 0.03 0.98 0.05 0.04 1.63 -0.68 -1.45 116.57 117.17 1xcb h LYS 47 Ca -0.06 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.59 1xcb h LYS 47 Cb 1.84 -0.22 0.01 0.00 -0.60 0.00 0.00 32.23 33.25 1xcb h LYS 47 CO 0.16 0.65 -0.42 -0.44 -3.45 0.00 0.00 179.45 175.95 1xcb h ASP 48 N 1.01 0.27 -0.45 4.20 3.45 -1.20 -3.02 116.42 120.69 1xcb h ASP 48 Ca 0.49 -0.91 -0.00 0.00 0.43 0.00 0.00 57.03 57.04 1xcb h ASP 48 Cb 0.46 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1xcb h ASP 48 CO -0.26 1.16 0.26 -0.07 -1.57 0.00 0.00 179.24 178.76 1xcb h LEU 49 N -0.57 0.54 -1.00 1.55 3.38 -1.21 -2.29 115.31 115.70 1xcb h LEU 49 Ca -0.07 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 1xcb h LEU 49 Cb 1.27 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1xcb h LEU 49 CO 0.08 0.45 -0.45 0.77 0.09 0.00 0.00 178.44 179.37 1xcb h SER 50 N 0.59 0.00 0.05 -0.43 4.64 -1.43 0.09 113.55 117.07 1xcb h SER 50 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xcb h SER 50 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1xcb h SER 50 CO -0.03 0.45 0.00 0.22 -0.87 0.00 0.00 176.83 176.60 1xcb h TYR 51 N 0.00 0.00 0.00 4.77 3.20 -1.27 -1.13 116.97 122.53 1xcb h TYR 51 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1xcb h TYR 51 Cb 0.88 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1xcb h TYR 51 CO 0.00 0.00 -0.56 1.19 -1.64 0.00 0.00 178.16 177.15 1xcb n PHE 52 N -2.38 0.00 -1.80 -3.82 3.01 -0.40 -5.00 117.46 107.08 1xcb n PHE 52 Ca -0.01 -1.22 -0.20 0.00 1.01 0.00 0.00 57.45 57.03 1xcb n PHE 52 Cb 0.05 -0.22 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 1xcb n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xcb n GLY 53 N -0.81 1.23 3.07 1.37 0.00 -0.43 -4.92 105.19 104.70 1xcb n GLY 53 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1xcb n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xcb n SER 54 N -1.44 5.73 -4.81 1.61 7.64 -0.12 -4.98 113.62 117.26 1xcb n SER 54 Ca -0.21 -3.28 -0.32 0.00 1.01 0.00 0.00 58.87 56.07 1xcb n SER 54 Cb 0.65 -1.23 0.02 0.00 -1.01 0.00 0.00 64.21 62.64 1xcb n SER 54 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xcb s TYR 55 N -2.19 3.08 0.00 1.43 4.12 -1.26 -4.31 117.35 118.22 1xcb s TYR 55 Ca 0.31 1.47 0.00 0.00 0.02 0.00 0.00 57.07 58.87 1xcb s TYR 55 Cb 0.00 -2.94 0.00 0.00 -1.52 0.00 0.00 41.96 37.50 1xcb s TYR 55 CO 0.02 -1.09 0.00 0.41 0.02 0.00 0.00 175.55 174.91 1xcb n GLY 61 N -1.44 -1.25 3.14 0.71 0.00 -1.26 -5.08 105.19 100.00 1xcb n GLY 61 Ca 0.08 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1xcb n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xcb s TYR 62 N 0.00 1.16 -0.52 1.61 1.51 -0.17 -5.00 117.35 115.94 1xcb s TYR 62 Ca 0.00 -0.37 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 1xcb s TYR 62 Cb 0.00 -0.68 0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1xcb s TYR 62 CO 0.00 0.03 0.83 0.99 -1.11 0.00 0.00 175.55 176.29 1xcb s THR 63 N -0.93 4.56 0.05 -0.71 2.01 -1.26 -0.77 115.64 118.59 1xcb s THR 63 Ca 0.00 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 1xcb s THR 63 Cb -0.08 -4.43 0.05 0.00 0.01 0.00 0.00 72.50 68.04 1xcb s THR 63 CO 0.01 -0.96 0.39 0.52 -0.69 0.00 0.00 174.62 173.89 1xcb n VAL 64 N 6.03 -0.14 -0.05 3.82 0.31 -0.84 0.12 118.33 127.58 1xcb n VAL 64 Ca -0.00 0.59 -0.14 0.00 -0.01 0.00 0.00 64.34 64.77 1xcb n VAL 64 Cb 0.47 -0.77 -0.07 0.00 -0.91 0.00 0.00 33.84 32.56 1xcb n VAL 64 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1xcb h PRO 65 N 0.00 0.52 -0.74 5.55 0.13 -1.92 -1.58 132.00 133.97 1xcb h PRO 65 Ca 0.08 -0.34 0.12 0.00 -0.87 0.00 0.00 66.00 64.98 1xcb h PRO 65 Cb 0.14 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 31.26 1xcb h PRO 65 CO -0.25 0.95 0.49 0.28 -0.23 0.00 0.00 178.00 179.25 1xcb h VAL 66 N 0.16 0.88 0.00 1.56 2.07 0.52 0.21 116.25 121.66 1xcb h VAL 66 Ca 0.00 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.21 1xcb h VAL 66 Cb 0.94 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1xcb h VAL 66 CO 0.08 0.10 -0.74 0.25 0.02 0.00 0.00 177.57 177.28 1xcb h LEU 67 N 0.56 0.00 0.06 2.57 6.46 -0.97 -3.00 115.31 120.99 1xcb h LEU 67 Ca 0.35 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 1xcb h LEU 67 Cb 0.61 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1xcb h LEU 67 CO -0.12 0.55 -0.03 0.50 -0.62 0.00 0.00 178.44 178.72 1xcb h LYS 68 N 0.00 -0.07 -0.66 1.25 3.64 0.32 0.86 116.57 121.91 1xcb h LYS 68 Ca -0.04 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1xcb h LYS 68 Cb 1.45 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.22 1xcb h LYS 68 CO 0.06 0.34 0.33 -0.09 -2.27 0.00 0.00 179.45 177.82 1xcb h ARG 69 N -0.50 0.57 0.06 1.90 2.43 -0.84 0.25 114.38 118.25 1xcb h ARG 69 Ca -0.01 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1xcb h ARG 69 Cb 0.44 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1xcb h ARG 69 CO 0.01 0.38 -0.03 0.93 -1.51 0.00 0.00 179.97 179.75 1xcb h GLU 70 N 0.59 -0.07 -0.66 0.20 5.08 -1.45 -2.74 114.58 115.52 1xcb h GLU 70 Ca 0.32 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 1xcb h GLU 70 Cb 0.29 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1xcb h GLU 70 CO -0.24 0.18 0.44 1.25 -1.00 0.00 0.00 179.01 179.64 1xcb h LEU 71 N -0.31 0.55 -0.73 1.33 5.85 -0.45 -1.71 115.31 119.83 1xcb h LEU 71 Ca -0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1xcb h LEU 71 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1xcb h LEU 71 CO 0.01 0.35 0.37 0.03 -0.34 0.00 0.00 178.44 178.86 1xcb h ARG 72 N 0.62 1.03 -0.14 1.25 2.47 -0.73 -2.30 114.38 116.57 1xcb h ARG 72 Ca 0.29 -0.14 -0.07 0.00 -1.26 0.00 0.00 59.98 58.81 1xcb h ARG 72 Cb 0.35 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1xcb h ARG 72 CO -0.09 0.79 -0.17 0.45 0.56 0.00 0.00 179.97 181.50 1xcb h HIS 73 N 1.01 0.44 -0.33 3.04 3.86 -1.04 0.22 115.15 122.35 1xcb h HIS 73 Ca 0.25 -0.14 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 1xcb h HIS 73 Cb 0.08 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.37 1xcb h HIS 73 CO 0.00 0.78 -0.39 0.82 0.86 0.00 0.00 177.93 180.00 1xcb h ILE 74 N -0.02 0.17 0.00 2.45 2.04 -1.27 0.68 117.51 121.56 1xcb h ILE 74 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1xcb h ILE 74 Cb 0.72 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1xcb h ILE 74 CO 0.04 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.37 1xcb n LEU 75 N -5.42 0.00 -3.62 1.44 4.77 -0.88 -4.92 117.00 108.37 1xcb n LEU 75 Ca -0.01 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 1xcb n LEU 75 Cb 0.35 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1xcb n LEU 75 CO 0.07 -0.01 0.21 0.61 -1.33 0.00 0.00 177.39 176.95 1xcb n GLY 76 N 0.89 -0.54 0.01 -0.72 0.00 0.24 -4.91 105.19 100.15 1xcb n GLY 76 Ca 0.19 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.57 1xcb n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xcb n LEU 77 N -4.91 0.38 -1.17 0.99 4.77 0.54 -4.17 117.00 113.43 1xcb n LEU 77 Ca 0.01 0.17 0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1xcb n LEU 77 Cb 0.56 -0.32 0.19 0.00 -2.33 0.00 0.00 43.42 41.52 1xcb n LEU 77 CO 0.66 0.07 0.55 0.59 -1.33 0.00 0.00 177.39 177.93 1xcb n ASN 78 N -1.56 3.28 0.00 -1.43 3.02 -1.25 -4.26 115.26 113.06 1xcb n ASN 78 Ca 0.06 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 1xcb n ASN 78 Cb 0.35 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1xcb n ASN 78 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1xcb n ARG 79 N 0.29 6.05 -2.34 3.52 1.85 -1.26 -5.09 116.66 119.68 1xcb n ARG 79 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.94 1xcb n ARG 79 Cb 0.71 -0.51 0.01 0.00 -1.05 0.00 0.00 32.46 31.61 1xcb n ARG 79 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xcb n LYS 80 N -0.98 -1.63 -1.69 2.89 3.00 -1.26 -5.00 118.16 113.49 1xcb n LYS 80 Ca 0.00 1.60 -0.31 0.00 -0.00 0.00 0.00 58.31 59.60 1xcb n LYS 80 Cb 0.00 -4.10 0.04 0.00 0.00 0.00 0.00 35.03 30.97 1xcb n LYS 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1xcb s TRP 81 N -1.86 3.16 -0.19 5.64 0.52 -0.59 -4.82 118.94 120.80 1xcb s TRP 81 Ca 0.13 1.42 -0.08 0.00 0.02 0.00 0.00 56.10 57.59 1xcb s TRP 81 Cb -0.04 -2.88 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 1xcb s TRP 81 CO 0.49 -1.13 0.08 0.20 0.02 0.00 0.00 176.95 176.61 1xcb s GLY 82 N -3.67 1.95 0.49 0.98 0.00 -1.26 -0.62 107.32 105.19 1xcb s GLY 82 Ca 0.58 -0.73 0.05 0.00 0.00 0.00 0.00 44.72 44.63 1xcb s GLY 82 CO 0.52 0.08 0.23 1.08 0.00 0.00 0.00 173.10 175.00 1xcb s LEU 83 N 0.35 2.76 -0.15 0.66 1.43 0.12 -0.86 118.68 122.98 1xcb s LEU 83 Ca 0.05 -1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 51.57 1xcb s LEU 83 Cb -0.12 -1.18 0.12 0.00 0.03 0.00 0.00 46.19 45.04 1xcb s LEU 83 CO -0.01 -0.84 0.95 0.00 0.23 0.00 0.00 176.35 176.68 1xcb s ILE 85 N -1.03 3.31 -0.40 0.00 1.01 -0.81 -1.42 121.20 121.86 1xcb s ILE 85 Ca -0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 1xcb s ILE 85 Cb -0.01 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 40.12 1xcb s ILE 85 CO 0.02 0.50 0.20 -0.69 0.00 0.00 0.00 174.94 174.97 1xcb s VAL 86 N 0.61 3.69 0.00 2.92 1.01 -0.86 -0.64 120.40 127.13 1xcb s VAL 86 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1xcb s VAL 86 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1xcb s VAL 86 CO 0.03 -0.51 0.00 0.61 0.00 0.00 0.00 175.10 175.23 1xcb n GLY 87 N 4.75 3.28 0.00 4.51 0.00 -0.28 -1.45 105.19 116.00 1xcb n GLY 87 Ca -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1xcb n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcb n GLY 89 N -1.13 0.31 0.07 -0.02 0.00 -1.26 -3.53 105.19 99.63 1xcb n GLY 89 Ca 0.00 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1xcb n GLY 89 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xcb h ARG 90 N 0.00 0.11 0.24 1.61 3.08 -1.99 -2.19 114.38 115.23 1xcb h ARG 90 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1xcb h ARG 90 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1xcb h ARG 90 CO 0.00 0.27 -0.11 1.25 -1.07 0.00 0.00 179.97 180.31 1xcb h LEU 91 N -0.08 -0.27 -1.06 3.04 6.46 -1.90 -2.01 115.31 119.49 1xcb h LEU 91 Ca 0.02 -0.11 0.11 0.00 -0.12 0.00 0.00 57.88 57.78 1xcb h LEU 91 Cb 0.21 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.14 1xcb h LEU 91 CO -0.00 -0.05 0.62 1.23 -0.62 0.00 0.00 178.44 179.62 1xcb h GLY 92 N -0.48 1.54 0.74 3.75 0.00 -1.61 0.13 103.07 107.14 1xcb h GLY 92 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1xcb h GLY 92 CO 0.05 0.20 -0.04 1.76 0.00 0.00 0.00 176.54 178.51 1xcb h SER 93 N 1.00 -0.10 -0.87 0.19 0.02 -1.32 -0.73 113.55 111.73 1xcb h SER 93 Ca 0.47 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1xcb h SER 93 Cb 0.42 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1xcb h SER 93 CO -0.23 0.18 0.50 0.00 -1.14 0.00 0.00 176.83 176.14 1xcb h ALA 94 N 0.51 1.12 -0.70 3.77 0.00 -0.87 -2.52 119.26 120.57 1xcb h ALA 94 Ca -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1xcb h ALA 94 Cb 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xcb h ALA 94 CO 0.02 0.60 0.26 -0.07 0.00 0.00 0.00 179.25 180.05 1xcb h LEU 95 N 1.21 0.99 -1.56 0.00 3.38 -0.70 -1.57 115.31 117.06 1xcb h LEU 95 Ca 0.31 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.25 1xcb h LEU 95 Cb -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1xcb h LEU 95 CO -0.05 0.91 0.53 0.00 0.09 0.00 0.00 178.44 179.91 1xcb h ALA 96 N 1.12 2.12 0.08 1.53 0.00 -0.68 -2.61 119.26 120.82 1xcb h ALA 96 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1xcb h ALA 96 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xcb h ALA 96 CO -0.01 -0.35 -0.76 -0.44 0.00 0.00 0.00 179.25 177.70 1xcb h ASP 97 N 0.42 0.27 -0.35 0.00 3.32 -1.36 -3.47 116.42 115.25 1xcb h ASP 97 Ca 0.39 -0.90 -0.63 0.00 0.02 0.00 0.00 57.03 55.91 1xcb h ASP 97 Cb 0.91 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1xcb h ASP 97 CO -0.13 1.34 0.79 0.00 -1.72 0.00 0.00 179.24 179.52 1xcb n TYR 98 N -4.25 1.11 0.70 4.55 9.36 -0.63 -4.74 117.16 123.25 1xcb n TYR 98 Ca -0.17 0.73 0.06 0.00 3.32 0.00 0.00 57.90 61.84 1xcb n TYR 98 Cb 0.73 -1.74 0.34 0.00 -0.63 0.00 0.00 39.34 38.04 1xcb n TYR 98 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1xcb n PRO 99 N 4.54 0.31 0.14 2.98 -0.04 -1.26 -3.98 135.00 137.69 1xcb n PRO 99 Ca 0.34 0.06 0.19 0.00 -0.04 0.00 0.00 63.50 64.05 1xcb n PRO 99 Cb -0.04 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 32.65 1xcb n PRO 99 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1xcb h GLY 100 N 1.95 0.00 -5.83 0.55 0.00 -1.93 -3.41 103.07 94.40 1xcb h GLY 100 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1xcb h GLY 100 CO 0.00 0.00 1.11 -1.36 0.00 0.00 0.00 176.54 176.29 1xcb s PHE 101 N -4.46 2.10 0.00 5.60 0.40 -1.26 -5.00 117.98 115.37 1xcb s PHE 101 Ca -0.04 0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1xcb s PHE 101 Cb 0.13 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.72 1xcb s PHE 101 CO 0.46 -3.10 0.00 0.41 0.70 0.00 0.00 175.22 173.69 1xcb n GLY 102 N 4.50 0.30 1.80 4.36 0.00 -1.26 -4.92 105.19 109.97 1xcb n GLY 102 Ca 0.18 -1.56 -0.00 0.00 0.00 0.00 0.00 46.02 44.64 1xcb n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xcb n GLU 103 N 0.00 3.86 0.00 1.61 4.71 -1.26 -3.69 120.64 125.87 1xcb n GLU 103 Ca 0.00 -2.71 0.01 0.00 -0.01 0.00 0.00 57.16 54.45 1xcb n GLU 103 Cb 0.00 -2.14 -0.00 0.00 -1.01 0.00 0.00 31.44 28.29 1xcb n GLU 103 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1xcb n SER 104 N 0.20 0.57 -3.42 1.62 7.64 -1.26 -4.38 113.62 114.59 1xcb n SER 104 Ca 0.31 -0.79 -0.17 0.00 1.01 0.00 0.00 58.87 59.24 1xcb n SER 104 Cb 1.18 0.60 -0.10 0.00 -1.01 0.00 0.00 64.21 64.88 1xcb n SER 104 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xcb s PHE 105 N -0.86 -0.46 -0.27 1.43 0.40 -1.24 -1.54 117.98 115.44 1xcb s PHE 105 Ca 0.02 0.03 -0.08 0.00 -0.60 0.00 0.00 56.93 56.30 1xcb s PHE 105 Cb 0.02 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 1xcb s PHE 105 CO 0.08 -0.83 0.10 -2.00 0.70 0.00 0.00 175.22 173.28 1xcb s GLU 106 N 2.37 3.55 0.13 0.44 2.12 0.21 -4.30 118.70 123.22 1xcb s GLU 106 Ca 0.09 -0.55 -0.31 0.00 0.36 0.00 0.00 54.97 54.56 1xcb s GLU 106 Cb -0.14 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 1xcb s GLU 106 CO -0.26 -0.26 1.60 -0.51 -0.54 0.00 0.00 175.26 175.28 1xcb s LEU 107 N 1.62 4.37 -0.02 2.70 1.43 -1.26 0.11 118.68 127.63 1xcb s LEU 107 Ca 0.06 2.56 0.03 0.00 -1.03 0.00 0.00 54.13 55.74 1xcb s LEU 107 Cb -0.16 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.52 1xcb s LEU 107 CO 0.05 -0.84 0.87 0.54 0.23 0.00 0.00 176.35 177.19 1xcb n ARG 108 N 4.62 0.41 -3.64 1.70 1.74 0.39 -4.83 116.66 117.05 1xcb n ARG 108 Ca 0.15 -1.10 -0.03 0.00 -0.77 0.00 0.00 57.85 56.09 1xcb n ARG 108 Cb 0.39 -0.67 -0.06 0.00 -1.02 0.00 0.00 32.46 31.10 1xcb n ARG 108 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xcb s GLY 109 N -0.95 0.23 -0.08 -0.13 0.00 -1.22 -4.99 107.32 100.17 1xcb s GLY 109 Ca 0.04 3.21 -0.01 0.00 0.00 0.00 0.00 44.72 47.96 1xcb s GLY 109 CO 0.00 1.60 -0.02 -1.36 0.00 0.00 0.00 173.10 173.33 1xcb s PHE 110 N -0.39 0.89 0.05 1.90 0.40 -1.26 -1.93 117.98 117.64 1xcb s PHE 110 Ca 0.08 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 1xcb s PHE 110 Cb -0.03 -0.91 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 1xcb s PHE 110 CO -0.12 -0.37 -0.24 -0.06 0.70 0.00 0.00 175.22 175.13 1xcb s PHE 111 N 1.85 2.07 0.19 0.36 0.40 0.18 0.23 117.98 123.25 1xcb s PHE 111 Ca 0.04 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 55.81 1xcb s PHE 111 Cb -0.12 -1.22 0.02 0.00 0.51 0.00 0.00 43.02 42.21 1xcb s PHE 111 CO -0.06 0.13 0.49 0.34 0.70 0.00 0.00 175.22 176.82 1xcb s ASP 112 N -1.31 -0.22 -0.01 1.36 -1.08 0.93 -1.12 116.67 115.23 1xcb s ASP 112 Ca 0.10 -0.54 0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1xcb s ASP 112 Cb -0.09 0.56 -0.18 0.00 -1.46 0.00 0.00 42.92 41.75 1xcb s ASP 112 CO 0.02 -1.03 0.52 0.55 0.52 0.00 0.00 175.17 175.75 1xcb n VAL 113 N -0.32 0.00 -2.52 1.11 3.14 -1.26 -2.64 118.33 115.83 1xcb n VAL 113 Ca -0.09 -0.21 -0.43 0.00 -2.96 0.00 0.00 64.34 60.64 1xcb n VAL 113 Cb 0.62 0.75 -0.02 0.00 -1.06 0.00 0.00 33.84 34.13 1xcb n VAL 113 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1xcb s ASP 114 N -2.76 6.65 0.31 6.55 3.68 -1.26 -4.92 116.67 124.91 1xcb s ASP 114 Ca 0.02 0.81 0.07 0.00 2.13 0.00 0.00 52.55 55.58 1xcb s ASP 114 Cb 0.10 -2.54 0.80 0.00 -1.45 0.00 0.00 42.92 39.83 1xcb s ASP 114 CO 0.60 -1.18 1.72 -0.65 0.13 0.00 0.00 175.17 175.80 1xcb h PRO 115 N 9.29 0.53 -0.88 4.34 0.11 -1.92 0.11 132.00 143.56 1xcb h PRO 115 Ca -0.24 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.98 1xcb h PRO 115 Cb 1.08 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1xcb h PRO 115 CO 1.08 0.35 0.57 0.93 -0.21 0.00 0.00 178.00 180.72 1xcb h GLU 116 N 0.54 0.64 0.16 1.05 4.39 -2.02 -2.79 114.58 116.56 1xcb h GLU 116 Ca 0.60 -0.04 -0.34 0.00 0.34 0.00 0.00 59.36 59.92 1xcb h GLU 116 Cb 1.11 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1xcb h GLU 116 CO -0.48 0.43 -1.76 0.87 -1.16 0.00 0.00 179.01 176.90 1xcb h LYS 117 N 0.66 0.33 -6.31 2.33 1.57 -1.23 -3.45 116.57 110.47 1xcb h LYS 117 Ca 0.44 -0.57 -0.61 0.00 -1.87 0.00 0.00 60.65 58.05 1xcb h LYS 117 Cb 0.74 0.21 0.02 0.00 0.08 0.00 0.00 32.23 33.29 1xcb h LYS 117 CO -0.20 1.23 1.05 0.28 -0.57 0.00 0.00 179.45 181.24 1xcb n VAL 118 N -3.53 0.48 0.00 0.50 0.31 -0.73 -1.23 118.33 114.14 1xcb n VAL 118 Ca -0.24 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1xcb n VAL 118 Cb 1.06 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1xcb n VAL 118 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xcb n GLY 119 N 4.23 1.83 3.68 2.92 0.00 -0.09 -4.94 105.19 112.83 1xcb n GLY 119 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 1xcb n GLY 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xcb n ARG 120 N -0.22 2.60 -2.16 1.61 0.63 -0.37 -4.55 116.66 114.20 1xcb n ARG 120 Ca 0.00 0.94 -0.41 0.00 -0.92 0.00 0.00 57.85 57.46 1xcb n ARG 120 Cb 0.00 -2.81 -0.03 0.00 0.45 0.00 0.00 32.46 30.07 1xcb n ARG 120 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1xcb s PRO 121 N 2.72 4.36 0.35 -0.14 0.04 -1.26 -1.24 135.00 139.83 1xcb s PRO 121 Ca 0.83 2.13 0.04 0.00 0.04 0.00 0.00 61.00 64.04 1xcb s PRO 121 Cb -0.55 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 30.78 1xcb s PRO 121 CO 0.40 -0.27 0.07 0.08 0.04 0.00 0.00 177.00 177.31 1xcb s VAL 122 N -0.10 1.13 -0.05 -0.36 1.01 0.67 -4.92 120.40 117.78 1xcb s VAL 122 Ca 0.56 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.61 1xcb s VAL 122 Cb -0.38 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1xcb s VAL 122 CO 0.41 0.00 1.04 -2.11 0.00 0.00 0.00 175.10 174.44 1xcb n ARG 123 N -0.76 0.05 0.00 2.72 1.85 -1.26 -3.07 116.66 116.19 1xcb n ARG 123 Ca -0.04 0.45 -0.00 0.00 -1.00 0.00 0.00 57.85 57.26 1xcb n ARG 123 Cb 0.66 -2.04 -0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1xcb n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1xcb n GLY 124 N -1.25 -0.04 0.00 2.89 0.00 -1.26 -5.12 105.19 100.40 1xcb n GLY 124 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xcb n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcb n GLY 125 N 3.05 2.13 3.31 -0.02 0.00 -1.18 -5.15 105.19 107.34 1xcb n GLY 125 Ca -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1xcb n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xcb s VAL 126 N 1.14 0.09 0.15 1.61 -7.23 -1.26 -0.24 120.40 114.66 1xcb s VAL 126 Ca 0.00 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 1xcb s VAL 126 Cb 0.00 -1.45 -0.08 0.00 0.56 0.00 0.00 36.38 35.41 1xcb s VAL 126 CO 0.00 -0.39 1.26 -0.63 -0.31 0.00 0.00 175.10 175.03 1xcb s ILE 127 N -3.87 3.52 0.38 -0.62 1.01 -0.37 -4.44 121.20 116.80 1xcb s ILE 127 Ca 0.08 1.19 0.08 0.00 0.00 0.00 0.00 60.65 62.00 1xcb s ILE 127 Cb 0.03 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1xcb s ILE 127 CO -0.07 0.15 0.23 -1.61 0.00 0.00 0.00 174.94 173.64 1xcb s GLU 128 N 0.29 2.40 0.23 2.79 2.02 0.13 -0.91 118.70 125.65 1xcb s GLU 128 Ca 0.57 -1.61 -0.17 0.00 0.02 0.00 0.00 54.97 53.79 1xcb s GLU 128 Cb -0.34 -2.20 -0.08 0.00 0.10 0.00 0.00 34.13 31.61 1xcb s GLU 128 CO 0.34 -0.04 0.68 -1.58 0.02 0.00 0.00 175.26 174.69 1xcb s HIS 129 N -2.48 3.57 0.53 1.61 5.65 -1.25 -0.05 115.29 122.87 1xcb s HIS 129 Ca 0.42 1.25 0.20 0.00 0.25 0.00 0.00 55.06 57.18 1xcb s HIS 129 Cb -0.01 -2.52 1.37 0.00 -1.18 0.00 0.00 32.58 30.23 1xcb s HIS 129 CO 0.24 0.30 2.11 -0.39 -0.65 0.00 0.00 174.74 176.36 1xcb h VAL 130 N 2.54 0.86 -0.99 0.89 -1.51 -1.84 -3.18 116.25 113.02 1xcb h VAL 130 Ca -0.48 0.00 0.32 0.00 -1.23 0.00 0.00 66.70 65.31 1xcb h VAL 130 Cb 1.19 0.92 -0.15 0.00 -2.13 0.00 0.00 31.29 31.12 1xcb h VAL 130 CO 0.66 0.00 0.54 -0.78 -1.23 0.00 0.00 177.57 176.76 1xcb h ASP 131 N 0.00 0.46 0.00 4.19 1.82 -1.92 0.23 116.42 121.20 1xcb h ASP 131 Ca 0.07 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.91 1xcb h ASP 131 Cb 0.30 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1xcb h ASP 131 CO -0.00 -0.16 0.00 0.00 -1.61 0.00 0.00 179.24 177.47 1xcb n LEU 132 N -5.08 0.00 -0.16 2.28 -0.00 -1.20 -4.21 117.00 108.63 1xcb n LEU 132 Ca 0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.29 1xcb n LEU 132 Cb 0.99 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.47 1xcb n LEU 132 CO 0.09 0.00 0.96 -0.07 -0.00 0.00 0.00 177.39 178.36 1xcb h LEU 133 N 0.00 0.17 -1.81 1.47 3.38 -1.18 -0.05 115.31 117.29 1xcb h LEU 133 Ca 0.00 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.20 1xcb h LEU 133 Cb 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xcb h LEU 133 CO 0.00 0.12 0.61 -0.65 0.09 0.00 0.00 178.44 178.61 1xcb h PRO 134 N 0.34 0.00 0.00 1.13 0.11 -1.83 -1.33 132.00 130.42 1xcb h PRO 134 Ca 0.24 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.99 1xcb h PRO 134 Cb 0.25 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.30 1xcb h PRO 134 CO -0.24 0.00 -2.35 1.04 -0.21 0.00 0.00 178.00 176.24 1xcb n GLN 135 N -3.65 0.67 0.24 1.05 3.00 -0.67 -4.49 117.38 113.53 1xcb n GLN 135 Ca 0.11 0.11 0.15 0.00 -0.01 0.00 0.00 57.00 57.37 1xcb n GLN 135 Cb 0.82 -1.48 0.55 0.00 0.00 0.00 0.00 30.24 30.14 1xcb n GLN 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xcb h ARG 136 N 0.00 0.00 0.00 -1.09 2.47 -0.52 -3.38 114.38 111.86 1xcb h ARG 136 Ca -0.53 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1xcb h ARG 136 Cb 1.89 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.21 1xcb h ARG 136 CO -0.06 0.00 -0.12 0.28 0.56 0.00 0.00 179.97 180.63 1xcb h VAL 137 N 0.00 0.00 -1.14 2.04 2.07 -1.49 -3.38 116.25 114.34 1xcb h VAL 137 Ca 0.00 -0.38 -0.83 0.00 0.82 0.00 0.00 66.70 66.31 1xcb h VAL 137 Cb 0.59 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1xcb h VAL 137 CO 0.00 0.00 0.63 -0.81 0.02 0.00 0.00 177.57 177.41 1xcb n PRO 138 N -3.11 0.29 0.00 1.57 -0.04 -1.26 -0.35 135.00 132.10 1xcb n PRO 138 Ca -0.02 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1xcb n PRO 138 Cb 0.06 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.87 1xcb n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xcb n GLY 139 N 3.60 2.73 0.18 0.55 0.00 -1.26 -4.77 105.19 106.22 1xcb n GLY 139 Ca 0.28 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 1xcb n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcb n ARG 140 N 0.00 0.37 -5.13 1.61 1.74 0.52 -5.02 116.66 110.75 1xcb n ARG 140 Ca 0.00 0.10 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1xcb n ARG 140 Cb 0.00 -1.25 -0.16 0.00 -1.02 0.00 0.00 32.46 30.03 1xcb n ARG 140 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xcb s ILE 141 N -2.30 2.30 -0.02 0.55 1.01 -0.17 -4.11 121.20 118.46 1xcb s ILE 141 Ca -0.21 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.50 1xcb s ILE 141 Cb 0.06 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1xcb s ILE 141 CO 0.33 0.56 -0.00 -0.62 0.00 0.00 0.00 174.94 175.21 1xcb n GLU 142 N 3.30 2.33 -4.71 2.79 4.71 -0.04 -4.54 120.64 124.49 1xcb n GLU 142 Ca -0.18 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.65 1xcb n GLU 142 Cb 0.53 -1.04 -0.12 0.00 -1.01 0.00 0.00 31.44 29.79 1xcb n GLU 142 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xcb s ILE 143 N -2.04 3.18 -0.03 -3.67 1.01 -0.60 -1.49 121.20 117.55 1xcb s ILE 143 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1xcb s ILE 143 Cb 0.01 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1xcb s ILE 143 CO 0.06 0.47 -0.05 0.00 0.00 0.00 0.00 174.94 175.42 1xcb s ALA 144 N -0.86 0.62 -0.46 9.38 0.00 -0.56 -2.22 121.76 127.67 1xcb s ALA 144 Ca 0.14 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.77 1xcb s ALA 144 Cb -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.74 1xcb s ALA 144 CO 0.04 0.05 0.59 -0.51 0.00 0.00 0.00 175.76 175.93 1xcb s LEU 145 N 0.48 4.72 -0.41 0.00 1.02 -0.50 -0.12 118.68 123.87 1xcb s LEU 145 Ca -0.06 -0.59 -0.25 0.00 0.02 0.00 0.00 54.13 53.24 1xcb s LEU 145 Cb -0.10 -2.56 0.02 0.00 0.02 0.00 0.00 46.19 43.57 1xcb s LEU 145 CO 0.00 -0.77 0.92 -0.22 0.02 0.00 0.00 176.35 176.30 1xcb s LEU 146 N 2.61 4.00 -0.25 1.79 2.96 -0.12 -2.02 118.68 127.66 1xcb s LEU 146 Ca 0.18 0.36 0.12 0.00 -0.22 0.00 0.00 54.13 54.57 1xcb s LEU 146 Cb -0.16 -3.22 0.46 0.00 0.50 0.00 0.00 46.19 43.76 1xcb s LEU 146 CO 0.16 -0.94 1.18 0.35 -1.32 0.00 0.00 176.35 175.78 1xcb n THR 147 N 6.18 2.06 -3.44 3.68 -2.24 -0.53 -1.92 114.28 118.06 1xcb n THR 147 Ca 0.06 -3.55 -0.20 0.00 -2.27 0.00 0.00 64.05 58.09 1xcb n THR 147 Cb 0.48 -0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1xcb n THR 147 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1xcb s VAL 148 N -3.84 4.18 0.70 2.28 -7.23 -1.23 -4.65 120.40 110.60 1xcb s VAL 148 Ca 0.43 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.51 1xcb s VAL 148 Cb 0.38 -3.46 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1xcb s VAL 148 CO -0.01 -0.20 0.86 -2.65 -0.31 0.00 0.00 175.10 172.79 1xcb n PRO 149 N -1.68 0.53 -0.20 4.82 -0.02 -1.26 -4.57 135.00 132.61 1xcb n PRO 149 Ca -0.01 0.23 0.06 0.00 -2.02 0.00 0.00 63.50 61.76 1xcb n PRO 149 Cb 0.58 -2.12 0.33 0.00 -0.02 0.00 0.00 33.50 32.27 1xcb n PRO 149 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1xcb h ARG 150 N -0.14 0.79 0.00 -0.52 0.11 -1.94 -0.01 114.38 112.67 1xcb h ARG 150 Ca -0.47 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1xcb h ARG 150 Cb 1.34 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1xcb h ARG 150 CO 0.47 0.52 0.00 0.93 0.10 0.00 0.00 179.97 181.99 1xcb h GLU 151 N 0.81 0.00 0.00 0.08 3.07 -1.98 -2.83 114.58 113.73 1xcb h GLU 151 Ca 0.33 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.14 1xcb h GLU 151 Cb 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1xcb h GLU 151 CO -0.11 0.00 -1.59 0.00 -1.40 0.00 0.00 179.01 175.91 1xcb n ALA 152 N -2.00 2.30 -0.32 3.43 0.00 -0.17 -4.78 120.51 118.98 1xcb n ALA 152 Ca -0.02 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.17 1xcb n ALA 152 Cb 0.11 -0.33 0.26 0.00 0.00 0.00 0.00 19.45 19.49 1xcb n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcb h ALA 153 N 0.99 1.08 -0.15 0.00 0.00 -0.88 -1.33 119.26 118.97 1xcb h ALA 153 Ca -0.06 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1xcb h ALA 153 Cb 0.78 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xcb h ALA 153 CO 0.00 -0.52 -0.02 0.37 0.00 0.00 0.00 179.25 179.08 1xcb h GLN 154 N 0.06 0.28 0.00 0.00 5.75 -1.87 0.26 115.11 119.59 1xcb h GLN 154 Ca 0.55 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.90 1xcb h GLN 154 Cb 1.08 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1xcb h GLN 154 CO -0.83 0.55 -0.19 0.87 -2.65 0.00 0.00 178.83 176.58 1xcb h LYS 155 N -0.00 0.00 0.15 1.69 1.79 -1.79 0.91 116.57 119.31 1xcb h LYS 155 Ca 0.04 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.21 1xcb h LYS 155 Cb 0.43 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.11 1xcb h LYS 155 CO 0.01 0.19 -1.28 0.00 -1.08 0.00 0.00 179.45 177.29 1xcb h ALA 156 N 1.81 0.01 -0.34 3.86 0.00 -1.03 -2.41 119.26 121.16 1xcb h ALA 156 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 1xcb h ALA 156 Cb 0.53 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1xcb h ALA 156 CO 0.02 0.77 -0.01 0.00 0.00 0.00 0.00 179.25 180.02 1xcb h ALA 157 N 0.36 1.34 0.90 0.00 0.00 0.22 -1.89 119.26 120.19 1xcb h ALA 157 Ca -0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1xcb h ALA 157 Cb 1.97 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.61 1xcb h ALA 157 CO 0.23 0.45 -0.47 -0.44 0.00 0.00 0.00 179.25 179.03 1xcb h ASP 158 N 0.51 -1.13 -0.69 0.00 3.45 -0.75 -1.38 116.42 116.43 1xcb h ASP 158 Ca 0.11 0.05 0.15 0.00 0.43 0.00 0.00 57.03 57.77 1xcb h ASP 158 Cb 0.35 0.30 -0.12 0.00 -0.56 0.00 0.00 39.33 39.31 1xcb h ASP 158 CO 0.01 -0.77 -0.00 -0.07 -1.57 0.00 0.00 179.24 176.84 1xcb h LEU 159 N -1.25 -0.33 -1.58 1.55 3.38 -1.19 0.12 115.31 116.01 1xcb h LEU 159 Ca -0.12 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xcb h LEU 159 Cb 0.97 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 1xcb h LEU 159 CO 0.18 -0.15 0.18 -0.07 0.09 0.00 0.00 178.44 178.67 1xcb h LEU 160 N 0.11 0.41 -0.08 1.67 -0.00 -1.16 -1.58 115.31 114.67 1xcb h LEU 160 Ca 0.37 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 58.09 1xcb h LEU 160 Cb 0.63 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.19 1xcb h LEU 160 CO -0.61 0.34 -0.47 0.58 -0.00 0.00 0.00 178.44 178.28 1xcb h VAL 161 N 0.47 1.39 -0.48 1.22 2.07 0.31 -1.15 116.25 120.07 1xcb h VAL 161 Ca 0.12 -1.83 0.06 0.00 0.82 0.00 0.00 66.70 65.86 1xcb h VAL 161 Cb 0.02 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1xcb h VAL 161 CO -0.02 0.54 0.32 0.00 0.02 0.00 0.00 177.57 178.43 1xcb h ALA 162 N 0.45 1.91 0.00 1.67 0.00 -0.76 0.13 119.26 122.65 1xcb h ALA 162 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xcb h ALA 162 Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xcb h ALA 162 CO 0.10 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1xcb n ALA 163 N -2.51 2.22 -0.64 0.00 0.00 -0.62 -4.90 120.51 114.05 1xcb n ALA 163 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xcb n ALA 163 Cb 0.24 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1xcb n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcb n GLY 164 N 1.03 1.19 3.77 0.00 0.00 0.03 -4.11 105.19 107.11 1xcb n GLY 164 Ca 0.09 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1xcb n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xcb s ILE 165 N -2.00 3.26 -0.09 -0.61 1.10 -0.45 -4.84 121.20 117.57 1xcb s ILE 165 Ca 0.00 0.90 0.14 0.00 -0.51 0.00 0.00 60.65 61.18 1xcb s ILE 165 Cb 0.00 -3.43 -0.21 0.00 0.15 0.00 0.00 42.46 38.96 1xcb s ILE 165 CO 0.00 -0.06 0.19 0.29 -2.11 0.00 0.00 174.94 173.25 1xcb n LYS 166 N -0.63 1.07 -3.67 3.50 5.02 -0.56 -4.80 118.16 118.10 1xcb n LYS 166 Ca 0.08 -0.07 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 1xcb n LYS 166 Cb 0.49 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 34.04 1xcb n LYS 166 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xcb s GLY 167 N -4.36 -0.44 -0.06 0.72 0.00 -1.05 -0.47 107.32 101.66 1xcb s GLY 167 Ca -0.07 1.58 -0.00 0.00 0.00 0.00 0.00 44.72 46.23 1xcb s GLY 167 CO 0.63 1.34 -0.03 -1.50 0.00 0.00 0.00 173.10 173.55 1xcb s ILE 168 N 0.13 0.52 -0.59 0.90 1.10 -0.73 -1.49 121.20 121.04 1xcb s ILE 168 Ca -0.01 -0.03 -0.26 0.00 -0.51 0.00 0.00 60.65 59.83 1xcb s ILE 168 Cb -0.04 -0.60 0.04 0.00 0.15 0.00 0.00 42.46 42.01 1xcb s ILE 168 CO 0.02 0.26 1.08 -0.76 -2.11 0.00 0.00 174.94 173.43 1xcb s LEU 169 N 1.45 3.75 -0.11 8.50 1.43 0.83 -1.75 118.68 132.79 1xcb s LEU 169 Ca -0.03 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 1xcb s LEU 169 Cb -0.13 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 1xcb s LEU 169 CO -0.03 -1.41 0.53 0.21 0.23 0.00 0.00 176.35 175.87 1xcb s ASN 170 N 3.04 6.75 -0.04 2.29 2.47 0.21 -0.94 114.94 128.73 1xcb s ASN 170 Ca 0.35 0.90 0.11 0.00 0.42 0.00 0.00 52.86 54.65 1xcb s ASN 170 Cb -0.10 -2.31 -0.17 0.00 -1.45 0.00 0.00 41.25 37.21 1xcb s ASN 170 CO 0.21 -0.03 0.21 0.49 -3.72 0.00 0.00 177.10 174.26 1xcb n PHE 171 N 3.71 0.00 -2.18 0.43 3.01 -0.81 -0.91 117.46 120.72 1xcb n PHE 171 Ca -0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.98 1xcb n PHE 171 Cb 0.52 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1xcb n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xcb s ALA 172 N -2.70 3.58 -0.39 4.37 0.00 -1.25 -4.85 121.76 120.51 1xcb s ALA 172 Ca -0.05 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 1xcb s ALA 172 Cb 0.07 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 1xcb s ALA 172 CO 0.48 -0.60 1.63 -2.30 0.00 0.00 0.00 175.76 174.98 1xcb n PRO 173 N 3.64 0.84 -3.58 0.00 -0.02 -1.26 -4.73 135.00 129.88 1xcb n PRO 173 Ca 0.10 -1.18 -0.12 0.00 -2.02 0.00 0.00 63.50 60.28 1xcb n PRO 173 Cb 0.42 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1xcb n PRO 173 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xcb s VAL 174 N 5.18 0.04 -0.50 -1.45 0.11 -1.26 -4.98 120.40 117.54 1xcb s VAL 174 Ca 0.41 -0.37 -0.12 0.00 -2.93 0.00 0.00 61.98 58.97 1xcb s VAL 174 Cb 0.10 -1.07 0.12 0.00 -1.53 0.00 0.00 36.38 34.01 1xcb s VAL 174 CO 0.12 -0.20 0.42 -0.69 -3.33 0.00 0.00 175.10 171.41 1xcb s VAL 175 N -3.33 4.68 0.58 2.04 1.01 -1.26 -5.02 120.40 119.09 1xcb s VAL 175 Ca -0.00 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 60.13 1xcb s VAL 175 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1xcb s VAL 175 CO -0.09 -0.82 1.18 0.18 0.00 0.00 0.00 175.10 175.56 1xcb n LEU 176 N 5.07 4.81 -4.26 3.92 4.77 -1.26 -4.98 117.00 125.06 1xcb n LEU 176 Ca -0.11 0.89 -0.37 0.00 -0.03 0.00 0.00 56.01 56.39 1xcb n LEU 176 Cb 0.40 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 39.88 1xcb n LEU 176 CO 0.48 -1.19 -0.27 -1.61 -1.33 0.00 0.00 177.39 173.47 1xcb s GLU 177 N -2.89 2.63 0.12 3.23 8.01 -1.26 -5.09 118.70 123.46 1xcb s GLU 177 Ca 0.75 -1.16 -0.00 0.00 0.01 0.00 0.00 54.97 54.56 1xcb s GLU 177 Cb -0.42 -3.41 -0.04 0.00 -4.31 0.00 0.00 34.13 25.95 1xcb s GLU 177 CO 0.47 -0.64 0.03 0.14 0.01 0.00 0.00 175.26 175.27 1xcb s VAL 178 N 1.39 0.24 0.46 2.63 -7.23 -1.26 -4.95 120.40 111.68 1xcb s VAL 178 Ca -0.02 -1.91 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 1xcb s VAL 178 Cb -0.19 -1.95 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 1xcb s VAL 178 CO 0.02 -0.57 1.29 -2.84 -0.31 0.00 0.00 175.10 172.69 1xcb s PRO 179 N -4.00 3.67 0.35 4.82 0.02 -1.26 -4.91 135.00 133.68 1xcb s PRO 179 Ca 0.21 2.09 0.15 0.00 0.02 0.00 0.00 61.00 63.47 1xcb s PRO 179 Cb 0.07 -2.52 1.14 0.00 0.02 0.00 0.00 34.50 33.21 1xcb s PRO 179 CO -0.00 -0.72 1.60 0.87 -0.33 0.00 0.00 177.00 178.41 1xcb h LYS 180 N 2.15 0.07 0.00 5.54 1.57 -2.03 0.36 116.57 124.24 1xcb h LYS 180 Ca -0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1xcb h LYS 180 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1xcb h LYS 180 CO 0.60 0.04 0.00 -0.85 -0.57 0.00 0.00 179.45 178.68 1xcb n GLU 181 N -5.27 0.19 -3.50 3.15 0.00 -1.26 -4.48 120.64 109.47 1xcb n GLU 181 Ca 0.33 0.46 -0.42 0.00 0.00 0.00 0.00 57.16 57.53 1xcb n GLU 181 Cb 1.09 -1.90 -0.10 0.00 0.00 0.00 0.00 31.44 30.53 1xcb n GLU 181 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1xcb s VAL 182 N -3.36 5.06 0.53 3.84 1.01 0.13 -4.84 120.40 122.76 1xcb s VAL 182 Ca 0.03 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1xcb s VAL 182 Cb 0.09 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1xcb s VAL 182 CO 0.36 -0.29 1.05 0.00 0.00 0.00 0.00 175.10 176.22 1xcb s ALA 183 N 1.64 2.82 -0.03 5.51 0.00 0.38 -4.73 121.76 127.36 1xcb s ALA 183 Ca 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 1xcb s ALA 183 Cb -0.19 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1xcb s ALA 183 CO 0.09 -0.51 0.06 0.08 0.00 0.00 0.00 175.76 175.47 1xcb s VAL 184 N -2.15 -0.03 -0.16 0.00 1.01 -1.26 -1.78 120.40 116.03 1xcb s VAL 184 Ca 0.66 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1xcb s VAL 184 Cb -0.16 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1xcb s VAL 184 CO 0.27 0.04 -0.12 -1.61 0.00 0.00 0.00 175.10 173.68 1xcb s GLU 185 N 0.52 2.09 0.34 2.72 0.41 -0.72 -4.96 118.70 119.09 1xcb s GLU 185 Ca -0.04 -0.63 -0.08 0.00 -0.41 0.00 0.00 54.97 53.81 1xcb s GLU 185 Cb -0.06 -2.17 -0.06 0.00 -1.78 0.00 0.00 34.13 30.06 1xcb s GLU 185 CO -0.02 -0.32 0.66 -0.80 -0.49 0.00 0.00 175.26 174.29 1xcb s ASN 186 N 1.48 6.51 -0.20 -0.19 0.01 -1.26 0.67 114.94 121.96 1xcb s ASN 186 Ca 0.03 0.94 -0.14 0.00 -0.71 0.00 0.00 52.86 52.97 1xcb s ASN 186 Cb -0.14 -2.24 0.06 0.00 0.41 0.00 0.00 41.25 39.34 1xcb s ASN 186 CO -0.09 -0.28 0.51 -0.69 -1.51 0.00 0.00 177.10 175.04 1xcb s VAL 187 N -2.18 -0.01 0.26 1.60 1.01 -0.09 -4.85 120.40 116.14 1xcb s VAL 187 Ca 0.48 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 1xcb s VAL 187 Cb -0.11 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1xcb s VAL 187 CO 0.29 0.02 0.50 1.51 0.00 0.00 0.00 175.10 177.42 1xcb s ASP 188 N 1.01 -0.05 0.03 3.32 1.47 -1.26 -4.51 116.67 116.68 1xcb s ASP 188 Ca -0.06 -0.94 0.04 0.00 1.18 0.00 0.00 52.55 52.76 1xcb s ASP 188 Cb -0.06 0.61 -0.25 0.00 -0.34 0.00 0.00 42.92 42.88 1xcb s ASP 188 CO -0.09 -1.18 0.94 2.19 0.68 0.00 0.00 175.17 177.71 1xcb h PHE 189 N 2.22 0.21 -0.44 2.11 -5.15 -2.01 -3.40 116.94 110.49 1xcb h PHE 189 Ca -0.26 -0.16 0.09 0.00 -0.20 0.00 0.00 57.97 57.45 1xcb h PHE 189 Cb 1.25 -0.01 -0.08 0.00 0.22 0.00 0.00 35.95 37.33 1xcb h PHE 189 CO 0.49 1.18 -0.11 1.28 -2.00 0.00 0.00 178.31 179.14 1xcb n LEU 190 N -3.33 -0.16 -0.19 2.10 4.77 -1.26 0.61 117.00 119.54 1xcb n LEU 190 Ca -0.11 0.76 -0.02 0.00 -0.03 0.00 0.00 56.01 56.61 1xcb n LEU 190 Cb 1.01 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.96 1xcb n LEU 190 CO 0.48 -0.73 0.99 0.00 -1.33 0.00 0.00 177.39 176.80 1xcb h ALA 191 N 0.89 0.71 0.00 -1.18 0.00 -2.01 0.52 119.26 118.19 1xcb h ALA 191 Ca 0.21 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xcb h ALA 191 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xcb h ALA 191 CO -0.46 -0.17 0.00 0.41 0.00 0.00 0.00 179.25 179.03 1xcb n GLY 192 N -1.28 -1.24 0.14 0.00 0.00 0.20 -1.55 105.19 101.47 1xcb n GLY 192 Ca 0.07 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1xcb n GLY 192 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xcb h LEU 193 N 0.00 0.74 -0.24 0.99 6.46 -0.54 -2.95 115.31 119.76 1xcb h LEU 193 Ca 0.00 -0.90 -0.21 0.00 -0.12 0.00 0.00 57.88 56.64 1xcb h LEU 193 Cb 0.38 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1xcb h LEU 193 CO 0.00 1.58 -0.81 0.74 -0.62 0.00 0.00 178.44 179.33 1xcb h THR 194 N 0.01 1.34 -0.01 1.05 2.02 -1.27 -1.79 112.91 114.26 1xcb h THR 194 Ca -0.20 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1xcb h THR 194 Cb 1.93 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 70.48 1xcb h THR 194 CO 0.23 0.66 0.13 -0.09 0.37 0.00 0.00 175.52 176.81 1xcb h ARG 195 N 0.38 0.00 0.04 6.66 2.43 -1.35 0.03 114.38 122.57 1xcb h ARG 195 Ca -0.06 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.87 1xcb h ARG 195 Cb 1.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 1xcb h ARG 195 CO 0.15 0.00 -1.29 1.25 -1.51 0.00 0.00 179.97 178.57 1xcb h LEU 196 N 0.00 0.12 -1.36 3.80 6.46 -1.27 -3.12 115.31 119.94 1xcb h LEU 196 Ca 0.01 -0.67 0.31 0.00 -0.12 0.00 0.00 57.88 57.41 1xcb h LEU 196 Cb 0.26 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.05 1xcb h LEU 196 CO -0.00 1.53 0.71 -1.28 -0.62 0.00 0.00 178.44 178.77 1xcb h SER 197 N -0.73 0.40 0.27 1.25 0.87 -0.18 0.13 113.55 115.55 1xcb h SER 197 Ca -0.33 0.10 -0.34 0.00 -1.23 0.00 0.00 61.79 60.00 1xcb h SER 197 Cb 1.46 0.04 0.04 0.00 -0.44 0.00 0.00 62.40 63.50 1xcb h SER 197 CO -0.11 0.02 -1.50 0.15 -0.53 0.00 0.00 176.83 174.86 1xcb h PHE 198 N 0.32 0.96 0.00 2.24 3.57 -1.40 -2.89 116.94 119.74 1xcb h PHE 198 Ca 0.65 -0.70 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1xcb h PHE 198 Cb 1.75 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.45 1xcb h PHE 198 CO -0.00 1.56 -0.08 0.00 -2.23 0.00 0.00 178.31 177.56 1xcb h ALA 199 N 0.17 1.17 0.00 2.41 0.00 -0.78 -0.55 119.26 121.69 1xcb h ALA 199 Ca -0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xcb h ALA 199 Cb 2.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1xcb h ALA 199 CO 0.27 0.10 -0.00 0.82 0.00 0.00 0.00 179.25 180.44 1xcb h ILE 200 N 0.00 1.29 0.00 0.00 2.04 -1.06 -3.30 117.51 116.49 1xcb h ILE 200 Ca -0.00 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.90 1xcb h ILE 200 Cb 0.32 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1xcb h ILE 200 CO 0.01 0.44 -0.03 -0.07 0.00 0.00 0.00 178.15 178.50 1xcb h LEU 201 N -1.00 0.00 -6.32 1.44 3.38 -1.33 -3.24 115.31 108.25 1xcb h LEU 201 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1xcb h LEU 201 Cb 0.72 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.05 1xcb h LEU 201 CO 0.00 0.03 -0.53 0.59 0.09 0.00 0.00 178.44 178.62 1xcb n ASN 202 N -3.61 3.81 -0.36 -0.43 3.02 -0.23 -4.93 115.26 112.54 1xcb n ASN 202 Ca -0.03 -3.42 0.05 0.00 -0.03 0.00 0.00 54.58 51.15 1xcb n ASN 202 Cb 0.12 -0.71 0.12 0.00 -0.61 0.00 0.00 39.78 38.71 1xcb n ASN 202 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1xcb h PRO 203 N 4.36 -0.00 -3.35 3.52 0.11 -1.65 -2.33 132.00 132.66 1xcb h PRO 203 Ca 0.19 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.06 1xcb h PRO 203 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1xcb h PRO 203 CO 0.85 -0.00 1.80 0.36 -0.21 0.00 0.00 178.00 180.79 1xcb n LYS 204 N -5.60 1.47 0.00 1.05 -0.00 -1.26 -5.05 118.16 108.77 1xcb n LYS 204 Ca 0.15 -1.07 0.00 0.00 -0.00 0.00 0.00 58.31 57.39 1xcb n LYS 204 Cb 0.48 -2.22 0.00 0.00 -0.00 0.00 0.00 35.03 33.30 1xcb n LYS 204 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27