#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k n GLU 11 N 0.00 -1.92 -3.97 3.49 4.71 -1.26 -5.01 120.64 116.69 3h1k n GLU 11 Ca 0.00 1.57 -0.31 0.00 -0.01 0.00 0.00 57.16 58.41 3h1k n GLU 11 Cb 0.00 -3.97 -0.15 0.00 -1.01 0.00 0.00 31.44 26.31 3h1k n GLU 11 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3h1k s GLU 12 N -3.02 1.51 -0.39 3.49 2.12 -1.26 -5.09 118.70 116.08 3h1k s GLU 12 Ca 0.21 -1.49 -0.31 0.00 0.36 0.00 0.00 54.97 53.73 3h1k s GLU 12 Cb -0.04 -2.84 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 3h1k s GLU 12 CO 0.82 -0.82 2.28 -0.11 -0.54 0.00 0.00 175.26 176.89 3h1k n LEU 13 N 4.46 2.33 -4.23 2.70 7.94 -1.26 -5.00 117.00 123.94 3h1k n LEU 13 Ca -0.03 0.17 -0.31 0.00 -1.11 0.00 0.00 56.01 54.73 3h1k n LEU 13 Cb 0.42 -1.38 -0.17 0.00 0.53 0.00 0.00 43.42 42.83 3h1k n LEU 13 CO 0.19 -0.88 -0.56 -0.69 -1.11 0.00 0.00 177.39 174.35 3h1k s VAL 14 N 8.61 1.99 -0.58 1.96 1.01 -1.26 -5.09 120.40 127.04 3h1k s VAL 14 Ca 1.07 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 3h1k s VAL 14 Cb -0.62 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 3h1k s VAL 14 CO 0.41 0.55 1.62 -0.62 0.00 0.00 0.00 175.10 177.06 3h1k s ASP 15 N 0.08 5.75 0.60 3.32 3.68 -1.26 -4.85 116.67 124.00 3h1k s ASP 15 Ca -0.10 0.32 0.28 0.00 2.13 0.00 0.00 52.55 55.17 3h1k s ASP 15 Cb -0.15 -2.54 1.02 0.00 -1.45 0.00 0.00 42.92 39.79 3h1k s ASP 15 CO 0.06 -2.00 1.38 1.55 0.13 0.00 0.00 175.17 176.28 3h1k h PRO 16 N 12.73 0.00 0.00 4.34 0.13 -1.98 -1.69 132.00 145.53 3h1k h PRO 16 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3h1k h PRO 16 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3h1k h PRO 16 CO 1.19 0.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.85 3h1k n LEU 17 N -3.32 0.00 -0.09 1.56 7.94 -1.26 -0.85 117.00 120.98 3h1k n LEU 17 Ca 0.23 0.82 0.26 0.00 -1.11 0.00 0.00 56.01 56.20 3h1k n LEU 17 Cb 1.47 -0.32 0.65 0.00 0.53 0.00 0.00 43.42 45.75 3h1k n LEU 17 CO 0.25 -0.32 1.24 0.71 -1.11 0.00 0.00 177.39 178.16 3h1k h THR 18 N 0.00 0.24 0.31 1.96 1.35 -1.72 0.39 112.91 115.44 3h1k h THR 18 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 3h1k h THR 18 Cb 0.00 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 3h1k h THR 18 CO 0.00 0.00 -0.15 0.74 -0.25 0.00 0.00 175.52 175.86 3h1k h THR 19 N 0.00 0.29 0.00 6.82 2.02 -1.48 -2.51 112.91 118.04 3h1k h THR 19 Ca 0.37 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 3h1k h THR 19 Cb 1.94 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 3h1k h THR 19 CO -0.00 0.07 -0.02 0.40 0.37 0.00 0.00 175.52 176.34 3h1k h ILE 20 N -1.04 0.12 -0.49 3.11 2.04 0.11 0.13 117.51 121.49 3h1k h ILE 20 Ca -0.04 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 3h1k h ILE 20 Cb 0.44 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3h1k h ILE 20 CO 0.07 0.02 -0.12 0.03 0.00 0.00 0.00 178.15 178.16 3h1k h ARG 21 N 0.00 0.91 0.23 2.37 2.47 -0.34 -2.59 114.38 117.44 3h1k h ARG 21 Ca -0.00 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.38 3h1k h ARG 21 Cb 0.24 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3h1k h ARG 21 CO 0.00 0.98 -0.11 0.93 0.56 0.00 0.00 179.97 182.33 3h1k h GLU 22 N 0.82 -0.30 -1.05 0.04 5.08 -0.31 -2.49 114.58 116.37 3h1k h GLU 22 Ca 0.13 0.02 0.38 0.00 -1.00 0.00 0.00 59.36 58.89 3h1k h GLU 22 Cb 0.65 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.84 3h1k h GLU 22 CO 0.04 -0.20 0.65 1.58 -1.00 0.00 0.00 179.01 180.08 3h1k n HIS 23 N -3.04 0.67 0.04 4.33 -0.00 -0.82 -0.01 115.22 116.38 3h1k n HIS 23 Ca -0.04 0.68 -0.20 0.00 0.46 0.00 0.00 57.72 58.62 3h1k n HIS 23 Cb 0.12 -1.09 -0.14 0.00 -0.12 0.00 0.00 29.99 28.76 3h1k n HIS 23 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h1k h GLU 25 N -0.33 0.00 -3.21 0.00 5.08 0.04 -1.91 114.58 114.25 3h1k h GLU 25 Ca -0.13 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.47 3h1k h GLU 25 Cb 1.58 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.52 3h1k h GLU 25 CO 0.15 0.00 0.28 1.04 -1.00 0.00 0.00 179.01 179.48 3h1k n GLN 26 N -2.94 3.41 -3.69 2.33 1.13 -1.19 -3.95 117.38 112.48 3h1k n GLN 26 Ca 0.01 -4.51 -0.10 0.00 -1.94 0.00 0.00 57.00 50.46 3h1k n GLN 26 Cb 0.60 -2.47 -0.10 0.00 0.11 0.00 0.00 30.24 28.38 3h1k n GLN 26 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3h1k s THR 27 N -1.79 -0.02 0.00 5.09 2.01 -0.72 -4.99 115.64 115.22 3h1k s THR 27 Ca 0.31 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3h1k s THR 27 Cb -0.03 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.84 3h1k s THR 27 CO -0.04 0.03 0.00 1.21 -0.69 0.00 0.00 174.62 175.13 3h1k n GLU 28 N 4.15 0.00 -0.03 4.92 2.13 -1.26 0.12 120.64 130.67 3h1k n GLU 28 Ca -0.22 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.45 3h1k n GLU 28 Cb 0.56 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.15 3h1k n GLU 28 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3h1k h LYS 29 N 0.00 0.13 -0.71 5.31 1.57 -1.96 -2.69 116.57 118.23 3h1k h LYS 29 Ca 0.00 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3h1k h LYS 29 Cb 0.00 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3h1k h LYS 29 CO 0.00 0.87 0.47 0.00 -0.57 0.00 0.00 179.45 180.22 3h1k h VAL 31 N 0.87 1.44 0.00 0.00 2.07 -0.99 0.45 116.25 120.10 3h1k h VAL 31 Ca 0.28 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3h1k h VAL 31 Cb 0.03 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3h1k h VAL 31 CO -0.08 0.61 0.00 0.29 0.02 0.00 0.00 177.57 178.41 3h1k n LYS 32 N -4.23 0.54 0.01 1.57 5.02 -1.01 -1.35 118.16 118.71 3h1k n LYS 32 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3h1k n LYS 32 Cb 0.67 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3h1k n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1k n ALA 33 N -0.59 3.00 -0.08 7.82 0.00 -0.93 -4.22 120.51 125.51 3h1k n ALA 33 Ca 0.02 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.71 3h1k n ALA 33 Cb 0.01 0.42 0.72 0.00 0.00 0.00 0.00 19.45 20.60 3h1k n ALA 33 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h1k h ARG 34 N 0.00 0.00 -0.02 0.00 9.65 0.07 0.62 114.38 124.70 3h1k h ARG 34 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 3h1k h ARG 34 Cb 0.70 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 3h1k h ARG 34 CO 0.00 0.00 -0.19 1.49 2.80 0.00 0.00 179.97 184.07 3h1k h GLU 35 N 0.00 0.17 -0.59 0.20 4.81 -1.44 -2.91 114.58 114.82 3h1k h GLU 35 Ca 0.33 -0.15 0.17 0.00 -0.13 0.00 0.00 59.36 59.59 3h1k h GLU 35 Cb 1.43 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 3h1k h GLU 35 CO -0.00 0.84 0.46 0.00 -0.73 0.00 0.00 179.01 179.57 3h1k h ARG 36 N -0.45 0.00 0.03 1.92 3.08 -0.01 -2.44 114.38 116.50 3h1k h ARG 36 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3h1k h ARG 36 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3h1k h ARG 36 CO 0.04 0.00 -0.01 1.25 -1.07 0.00 0.00 179.97 180.17 3h1k h LEU 37 N 0.00 -0.03 -0.92 3.04 5.85 -0.99 -3.15 115.31 119.11 3h1k h LEU 37 Ca 0.28 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.30 3h1k h LEU 37 Cb 1.19 0.01 -0.17 0.00 0.37 0.00 0.00 40.66 42.06 3h1k h LEU 37 CO -0.00 0.06 0.17 -0.62 -0.34 0.00 0.00 178.44 177.71 3h1k n GLU 38 N -2.55 -0.07 -0.13 1.25 1.02 -1.10 0.21 120.64 119.27 3h1k n GLU 38 Ca -0.00 1.34 -0.04 0.00 -0.02 0.00 0.00 57.16 58.44 3h1k n GLU 38 Cb 0.02 -2.22 0.04 0.00 -0.02 0.00 0.00 31.44 29.26 3h1k n GLU 38 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3h1k h LEU 39 N 0.00 -0.01 0.03 -4.62 3.38 -1.56 0.69 115.31 113.22 3h1k h LEU 39 Ca 0.63 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.68 3h1k h LEU 39 Cb 1.44 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3h1k h LEU 39 CO -0.82 0.03 -0.02 0.00 0.09 0.00 0.00 178.44 177.73 3h1k n ASP 41 N -2.14 -0.60 -0.14 0.00 2.03 -0.02 -0.06 116.55 115.63 3h1k n ASP 41 Ca -0.01 1.23 -0.11 0.00 0.52 0.00 0.00 54.79 56.42 3h1k n ASP 41 Cb 0.02 -0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.13 3h1k n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h1k h ALA 42 N 0.65 -0.56 -0.13 -1.67 0.00 0.44 0.60 119.26 118.59 3h1k h ALA 42 Ca 0.18 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3h1k h ALA 42 Cb 0.35 0.99 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3h1k h ALA 42 CO -0.67 -0.94 -0.07 0.07 0.00 0.00 0.00 179.25 177.63 3h1k h ARG 43 N -0.35 0.27 -0.87 0.00 0.11 -0.32 -2.02 114.38 111.21 3h1k h ARG 43 Ca 0.12 -0.12 0.10 0.00 0.10 0.00 0.00 59.98 60.17 3h1k h ARG 43 Cb 0.59 -0.01 -0.08 0.00 1.11 0.00 0.00 29.97 31.59 3h1k h ARG 43 CO -0.60 0.62 0.51 0.28 0.10 0.00 0.00 179.97 180.89 3h1k h VAL 44 N -0.08 0.91 -0.32 0.08 2.07 0.06 -0.88 116.25 118.09 3h1k h VAL 44 Ca 0.03 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 3h1k h VAL 44 Cb 0.55 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3h1k h VAL 44 CO 0.02 0.15 -0.12 0.28 0.02 0.00 0.00 177.57 177.93 3h1k h SER 45 N 0.84 0.66 0.08 0.57 0.02 0.24 -3.21 113.55 112.75 3h1k h SER 45 Ca 0.42 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3h1k h SER 45 Cb 0.39 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3h1k h SER 45 CO -0.25 0.90 -0.04 0.77 -1.14 0.00 0.00 176.83 177.07 3h1k h SER 46 N 0.42 -0.09 -3.34 3.07 4.64 -0.88 -3.44 113.55 113.93 3h1k h SER 46 Ca 0.08 -0.15 -0.57 0.00 -0.47 0.00 0.00 61.79 60.67 3h1k h SER 46 Cb 0.63 0.02 0.13 0.00 -0.31 0.00 0.00 62.40 62.87 3h1k h SER 46 CO 0.04 0.10 0.33 0.54 -0.87 0.00 0.00 176.83 176.96 3h1k n ARG 47 N -5.06 1.60 -0.05 4.77 1.74 -0.38 -4.94 116.66 114.34 3h1k n ARG 47 Ca -0.08 0.57 -0.02 0.00 -0.77 0.00 0.00 57.85 57.55 3h1k n ARG 47 Cb 0.14 -2.22 -0.11 0.00 -1.02 0.00 0.00 32.46 29.25 3h1k n ARG 47 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3h1k n SER 48 N 0.23 1.77 -1.39 0.55 7.64 -1.26 -4.65 113.62 116.50 3h1k n SER 48 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 3h1k n SER 48 Cb 0.40 1.09 0.15 0.00 -1.01 0.00 0.00 64.21 64.84 3h1k n SER 48 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3h1k n HIS 49 N -2.33 1.51 -4.27 1.43 -0.00 -1.26 -5.02 115.22 105.29 3h1k n HIS 49 Ca -0.15 -1.86 -0.35 0.00 -0.00 0.00 0.00 57.72 55.36 3h1k n HIS 49 Cb 0.75 -0.53 -0.09 0.00 -0.00 0.00 0.00 29.99 30.12 3h1k n HIS 49 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 3h1k s THR 50 N -3.68 4.47 -0.93 3.57 -1.32 -1.26 -4.97 115.64 111.51 3h1k s THR 50 Ca 0.47 -0.18 0.28 0.00 -1.21 0.00 0.00 61.69 61.05 3h1k s THR 50 Cb 0.41 -2.92 0.20 0.00 -1.51 0.00 0.00 72.50 68.69 3h1k s THR 50 CO -0.00 0.57 1.79 -0.62 -2.21 0.00 0.00 174.62 174.15 3h1k n GLU 51 N 2.50 0.07 -1.38 7.08 -0.58 -1.26 -4.92 120.64 122.15 3h1k n GLU 51 Ca -0.18 0.04 -0.36 0.00 -0.42 0.00 0.00 57.16 56.24 3h1k n GLU 51 Cb 0.53 -1.57 0.07 0.00 -0.57 0.00 0.00 31.44 29.91 3h1k n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3h1k n GLU 52 N -1.68 0.50 -3.80 3.49 2.13 -1.26 -5.05 120.64 114.97 3h1k n GLU 52 Ca 0.06 0.21 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 3h1k n GLU 52 Cb 0.36 -2.03 -0.12 0.00 0.27 0.00 0.00 31.44 29.92 3h1k n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3h1k s GLN 53 N -2.92 0.20 -0.23 5.31 -0.21 -1.26 -5.05 119.66 115.50 3h1k s GLN 53 Ca 0.71 0.28 0.02 0.00 0.02 0.00 0.00 55.36 56.39 3h1k s GLN 53 Cb -0.37 0.07 0.36 0.00 1.00 0.00 0.00 33.01 34.07 3h1k s GLN 53 CO 0.53 -0.04 1.47 0.00 -2.12 0.00 0.00 175.29 175.12 3h1k h THR 55 N 0.62 0.00 0.00 0.00 2.02 -1.99 -0.84 112.91 112.72 3h1k h THR 55 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 3h1k h THR 55 Cb 1.95 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3h1k h THR 55 CO 0.57 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.67 3h1k n GLU 56 N -3.77 0.00 -0.35 6.66 2.13 -1.26 -0.07 120.64 123.98 3h1k n GLU 56 Ca -0.07 0.68 0.03 0.00 0.66 0.00 0.00 57.16 58.47 3h1k n GLU 56 Cb 0.23 -1.06 0.11 0.00 0.27 0.00 0.00 31.44 30.99 3h1k n GLU 56 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3h1k h GLU 57 N 0.00 -0.01 -0.33 5.31 3.07 -1.88 0.30 114.58 121.05 3h1k h GLU 57 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.93 3h1k h GLU 57 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 3h1k h GLU 57 CO 0.00 -0.00 -0.07 1.25 -1.40 0.00 0.00 179.01 178.78 3h1k h LEU 58 N -0.01 -0.28 -0.29 1.33 5.85 0.10 -1.27 115.31 120.73 3h1k h LEU 58 Ca 0.43 0.10 0.04 0.00 0.84 0.00 0.00 57.88 59.28 3h1k h LEU 58 Cb 0.67 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3h1k h LEU 58 CO -0.98 -0.10 0.06 -0.26 -0.34 0.00 0.00 178.44 176.82 3h1k h PHE 59 N 0.01 0.10 -0.86 1.25 0.04 0.14 -0.15 116.94 117.46 3h1k h PHE 59 Ca 0.16 0.02 0.22 0.00 2.80 0.00 0.00 57.97 61.17 3h1k h PHE 59 Cb 0.24 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.24 3h1k h PHE 59 CO -0.30 0.02 0.14 -0.44 -0.60 0.00 0.00 178.31 177.13 3h1k h ASP 60 N 0.17 -0.17 0.45 2.17 3.32 -0.02 0.86 116.42 123.20 3h1k h ASP 60 Ca 0.14 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 3h1k h ASP 60 Cb 0.14 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3h1k h ASP 60 CO -0.18 -0.19 -0.22 0.15 -1.72 0.00 0.00 179.24 177.08 3h1k h PHE 61 N 0.15 -0.56 -0.71 4.55 3.57 -0.16 -2.60 116.94 121.17 3h1k h PHE 61 Ca 0.52 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.13 3h1k h PHE 61 Cb 1.02 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.86 3h1k h PHE 61 CO -0.35 -0.35 0.28 -0.07 -2.23 0.00 0.00 178.31 175.60 3h1k h LEU 62 N -0.79 0.28 -1.21 0.59 3.38 -0.42 0.72 115.31 117.87 3h1k h LEU 62 Ca -0.06 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.16 3h1k h LEU 62 Cb 0.46 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 3h1k h LEU 62 CO 0.10 0.13 0.60 -0.74 0.09 0.00 0.00 178.44 178.62 3h1k h HIS 63 N 0.45 0.89 0.01 1.13 2.76 0.68 0.47 115.15 121.55 3h1k h HIS 63 Ca 0.38 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 3h1k h HIS 63 Cb 0.52 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.21 3h1k h HIS 63 CO -0.16 0.30 -0.00 0.00 -1.30 0.00 0.00 177.93 176.76 3h1k h ALA 64 N 1.60 -0.01 -0.02 5.26 0.00 -0.37 -2.93 119.26 122.78 3h1k h ALA 64 Ca 0.49 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3h1k h ALA 64 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3h1k h ALA 64 CO -0.25 -0.02 -0.15 -0.09 0.00 0.00 0.00 179.25 178.75 3h1k h ARG 65 N -0.99 -0.16 -0.97 0.00 2.43 0.92 -2.31 114.38 113.30 3h1k h ARG 65 Ca -0.00 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.32 3h1k h ARG 65 Cb 0.64 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 3h1k h ARG 65 CO 0.00 -0.11 0.61 -0.44 -1.51 0.00 0.00 179.97 178.53 3h1k h ASP 66 N -0.17 0.83 0.04 -3.80 5.19 -0.27 0.45 116.42 118.70 3h1k h ASP 66 Ca 0.01 0.05 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 3h1k h ASP 66 Cb 0.19 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 3h1k h ASP 66 CO -0.11 0.41 -0.50 -0.74 -3.12 0.00 0.00 179.24 175.19 3h1k h HIS 67 N 0.87 -1.45 -0.52 4.55 2.76 -1.27 0.82 115.15 120.91 3h1k h HIS 67 Ca 0.50 0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.79 3h1k h HIS 67 Cb 0.62 0.63 -0.10 0.00 1.55 0.00 0.00 27.41 30.11 3h1k h HIS 67 CO -0.00 -0.54 -0.41 0.00 -1.30 0.00 0.00 177.93 175.68 3h1k h VAL 69 N -0.25 0.27 -0.00 0.00 2.07 0.12 -1.58 116.25 116.88 3h1k h VAL 69 Ca 0.17 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3h1k h VAL 69 Cb 0.57 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3h1k h VAL 69 CO -0.64 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 176.85 3h1k h ALA 70 N 1.75 -0.11 -0.15 1.67 0.00 0.45 0.96 119.26 123.82 3h1k h ALA 70 Ca 0.40 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.36 3h1k h ALA 70 Cb 0.68 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3h1k h ALA 70 CO -0.74 -0.60 0.54 1.25 0.00 0.00 0.00 179.25 179.70 3h1k h HIS 71 N -0.18 0.00 0.00 0.00 2.76 -0.90 -3.21 115.15 113.62 3h1k h HIS 71 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3h1k h HIS 71 Cb 0.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.19 3h1k h HIS 71 CO -0.17 0.00 -0.58 1.63 -1.30 0.00 0.00 177.93 177.51 3h1k n LYS 72 N -3.00 1.26 -0.38 5.26 5.02 -0.88 -4.86 118.16 120.58 3h1k n LYS 72 Ca 0.02 0.00 0.33 0.00 -2.02 0.00 0.00 58.31 56.64 3h1k n LYS 72 Cb 0.62 -0.79 0.60 0.00 -0.02 0.00 0.00 35.03 35.43 3h1k n LYS 72 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3h1k h LEU 73 N 0.00 0.32 -0.18 -0.35 5.85 0.94 0.02 115.31 121.92 3h1k h LEU 73 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3h1k h LEU 73 Cb 0.58 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3h1k h LEU 73 CO 0.00 -0.28 0.00 0.49 -0.34 0.00 0.00 178.44 178.31 3h1k n PHE 74 N -4.98 0.78 0.19 1.25 3.72 -1.26 -3.10 117.46 114.06 3h1k n PHE 74 Ca 0.37 0.25 0.04 0.00 -0.05 0.00 0.00 57.45 58.06 3h1k n PHE 74 Cb 1.30 -0.90 0.38 0.00 -0.94 0.00 0.00 39.48 39.32 3h1k n PHE 74 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3h1k h ASN 75 N 0.00 0.00 0.11 4.37 2.35 -1.33 -3.18 115.58 117.89 3h1k h ASN 75 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3h1k h ASN 75 Cb 0.60 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.98 3h1k h ASN 75 CO 0.00 0.36 -0.87 0.11 -1.65 0.00 0.00 177.43 175.38 3h1k h LYS 76 N 0.00 0.23 -7.29 0.81 1.79 -1.68 -3.47 116.57 106.97 3h1k h LYS 76 Ca -0.00 -0.39 -0.51 0.00 -2.18 0.00 0.00 60.65 57.57 3h1k h LYS 76 Cb 0.71 0.15 0.17 0.00 -1.58 0.00 0.00 32.23 31.67 3h1k h LYS 76 CO 0.05 1.19 0.25 -0.51 -1.08 0.00 0.00 179.45 179.34 3h1k s LEU 77 N -7.85 2.66 0.00 2.94 1.43 -1.20 -5.09 118.68 111.57 3h1k s LEU 77 Ca -0.17 1.89 0.18 0.00 -1.03 0.00 0.00 54.13 55.01 3h1k s LEU 77 Cb 0.01 -4.35 0.15 0.00 0.03 0.00 0.00 46.19 42.03 3h1k s LEU 77 CO 0.78 -2.73 1.08 0.29 0.23 0.00 0.00 176.35 176.01