#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1k h LEU 5 N 0.00 0.73 -0.60 0.00 3.38 -2.04 -0.86 115.31 115.91 3h1k h LEU 5 Ca 0.00 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.77 3h1k h LEU 5 Cb 0.00 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3h1k h LEU 5 CO 0.00 0.79 0.34 -0.07 0.09 0.00 0.00 178.44 179.59 3h1k h LEU 6 N 0.63 0.51 0.00 1.67 3.38 -2.05 1.12 115.31 120.57 3h1k h LEU 6 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3h1k h LEU 6 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3h1k h LEU 6 CO 0.01 0.34 0.00 -1.14 0.09 0.00 0.00 178.44 177.73 3h1k n ARG 7 N -4.81 0.00 -0.32 1.13 0.63 -1.12 -1.19 116.66 110.98 3h1k n ARG 7 Ca 0.07 0.45 0.29 0.00 -0.92 0.00 0.00 57.85 57.74 3h1k n ARG 7 Cb 0.14 -1.42 0.54 0.00 0.45 0.00 0.00 32.46 32.17 3h1k n ARG 7 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3h1k h GLN 8 N 0.00 0.05 0.75 -0.14 4.20 -0.87 0.17 115.11 119.27 3h1k h GLN 8 Ca 0.00 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3h1k h GLN 8 Cb 0.00 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.78 3h1k h GLN 8 CO 0.00 0.03 -0.36 0.00 -0.67 0.00 0.00 178.83 177.83 3h1k h ALA 9 N 1.98 -1.01 -0.13 3.87 0.00 0.14 -1.57 119.26 122.53 3h1k h ALA 9 Ca 0.80 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.52 3h1k h ALA 9 Cb 2.04 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 3h1k h ALA 9 CO -0.76 -0.99 0.41 -0.92 0.00 0.00 0.00 179.25 176.98 3h1k h TYR 10 N -1.17 0.00 0.00 0.00 3.20 0.79 0.38 116.97 120.17 3h1k h TYR 10 Ca -0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3h1k h TYR 10 Cb 0.80 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3h1k h TYR 10 CO -0.00 0.00 -0.26 0.77 -1.64 0.00 0.00 178.16 177.02 3h1k h SER 11 N 0.00 0.00 1.13 -2.11 0.02 -0.84 -2.64 113.55 109.11 3h1k h SER 11 Ca 0.06 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.85 3h1k h SER 11 Cb 0.88 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3h1k h SER 11 CO -0.00 0.58 -0.77 0.00 -1.14 0.00 0.00 176.83 175.50 3h1k h ALA 12 N -1.11 0.54 -3.00 3.77 0.00 -1.10 -3.38 119.26 114.98 3h1k h ALA 12 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3h1k h ALA 12 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h1k h ALA 12 CO 0.00 0.96 0.00 1.28 0.00 0.00 0.00 179.25 181.49 3h1k n LEU 13 N -3.35 0.00 0.00 0.00 4.77 0.13 -4.74 117.00 113.81 3h1k n LEU 13 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 3h1k n LEU 13 Cb 0.82 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 42.05 3h1k n LEU 13 CO 0.44 0.00 0.33 0.49 -1.33 0.00 0.00 177.39 177.32 3h1k n PHE 14 N -1.25 0.00 0.00 -1.77 0.99 -1.02 -2.56 117.46 111.85 3h1k n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3h1k n PHE 14 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3h1k n PHE 14 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3h1k n ARG 15 N -0.87 0.00 -2.06 -1.08 3.00 -0.99 -4.79 116.66 109.86 3h1k n ARG 15 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.46 3h1k n ARG 15 Cb 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 32.46 32.05 3h1k n ARG 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3h1k s ARG 16 N -0.15 4.25 0.00 -0.14 0.52 -1.26 -4.85 118.95 117.31 3h1k s ARG 16 Ca 0.00 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 3h1k s ARG 16 Cb 0.00 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.98 3h1k s ARG 16 CO 0.00 -0.62 0.81 2.41 0.02 0.00 0.00 175.30 177.91 3h1k n THR 17 N 4.50 1.28 -0.07 0.02 -1.04 -1.26 -1.03 114.28 116.68 3h1k n THR 17 Ca 0.14 0.45 -0.05 0.00 -2.04 0.00 0.00 64.05 62.56 3h1k n THR 17 Cb 0.42 -1.45 -0.02 0.00 -1.82 0.00 0.00 70.33 67.45 3h1k n THR 17 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3h1k h SER 18 N 0.00 0.00 0.09 8.00 4.64 -1.92 -3.12 113.55 121.24 3h1k h SER 18 Ca 0.00 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3h1k h SER 18 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3h1k h SER 18 CO 0.00 0.73 -0.07 0.71 -0.87 0.00 0.00 176.83 177.32 3h1k h THR 19 N -1.00 0.95 0.09 2.95 1.35 -1.51 -0.22 112.91 115.53 3h1k h THR 19 Ca -0.03 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3h1k h THR 19 Cb 0.40 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3h1k h THR 19 CO -0.02 0.07 -0.07 0.15 -0.25 0.00 0.00 175.52 175.41 3h1k h PHE 20 N 0.00 -0.18 -0.59 4.73 3.04 -0.80 -0.31 116.94 122.82 3h1k h PHE 20 Ca -0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 3h1k h PHE 20 Cb 0.14 0.07 -0.11 0.00 2.56 0.00 0.00 35.95 38.60 3h1k h PHE 20 CO 0.00 -0.10 -0.36 0.00 -2.02 0.00 0.00 178.31 175.84 3h1k h ALA 21 N -1.74 -0.10 -1.11 2.41 0.00 -1.41 0.73 119.26 118.04 3h1k h ALA 21 Ca -0.01 0.15 0.31 0.00 0.00 0.00 0.00 54.91 55.36 3h1k h ALA 21 Cb 0.13 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 3h1k h ALA 21 CO 0.01 -0.71 0.76 1.25 0.00 0.00 0.00 179.25 180.56 3h1k h LEU 22 N -0.18 0.20 0.34 0.00 6.46 -0.93 0.16 115.31 121.37 3h1k h LEU 22 Ca 0.22 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.01 3h1k h LEU 22 Cb 0.56 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3h1k h LEU 22 CO -0.68 0.03 -0.16 0.74 -0.62 0.00 0.00 178.44 177.74 3h1k h THR 23 N 0.18 0.47 -0.82 1.05 2.02 0.23 -2.80 112.91 113.23 3h1k h THR 23 Ca 0.58 -0.73 0.16 0.00 0.77 0.00 0.00 66.41 67.19 3h1k h THR 23 Cb 1.92 0.74 -0.16 0.00 -1.74 0.00 0.00 68.15 68.91 3h1k h THR 23 CO -0.15 0.10 -0.21 0.58 0.37 0.00 0.00 175.52 176.21 3h1k h VAL 24 N -0.96 0.17 0.00 3.16 2.07 -0.34 1.54 116.25 121.89 3h1k h VAL 24 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3h1k h VAL 24 Cb 0.52 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3h1k h VAL 24 CO 0.08 0.00 0.00 0.52 0.02 0.00 0.00 177.57 178.19 3h1k n VAL 25 N -5.53 0.00 -0.21 2.57 0.31 -0.60 0.13 118.33 115.00 3h1k n VAL 25 Ca 0.12 1.16 -0.03 0.00 -0.01 0.00 0.00 64.34 65.59 3h1k n VAL 25 Cb 0.42 -1.96 0.04 0.00 -0.91 0.00 0.00 33.84 31.43 3h1k n VAL 25 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3h1k h LEU 26 N 0.00 -0.88 -0.43 7.52 5.85 -1.16 -0.36 115.31 125.85 3h1k h LEU 26 Ca 0.00 0.21 0.08 0.00 0.84 0.00 0.00 57.88 59.01 3h1k h LEU 26 Cb 0.00 0.49 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 3h1k h LEU 26 CO 0.00 -0.26 -0.34 1.23 -0.34 0.00 0.00 178.44 178.72 3h1k h GLY 27 N -0.09 -0.28 0.32 3.75 0.00 0.24 0.33 103.07 107.36 3h1k h GLY 27 Ca 0.27 0.44 0.10 0.00 0.00 0.00 0.00 47.33 48.14 3h1k h GLY 27 CO -0.68 -0.20 0.20 0.00 0.00 0.00 0.00 176.54 175.86 3h1k h ALA 28 N 0.74 0.78 -0.46 3.60 0.00 0.27 -0.45 119.26 123.73 3h1k h ALA 28 Ca 0.18 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3h1k h ALA 28 Cb 0.55 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 3h1k h ALA 28 CO -0.57 -0.23 -0.40 0.28 0.00 0.00 0.00 179.25 178.34 3h1k h VAL 29 N 0.37 0.13 -0.13 0.00 2.07 0.31 0.28 116.25 119.28 3h1k h VAL 29 Ca 0.31 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 3h1k h VAL 29 Cb 0.42 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3h1k h VAL 29 CO -0.34 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.14 3h1k h LEU 30 N -0.27 -0.14 -0.15 2.57 3.38 -0.62 -1.65 115.31 118.42 3h1k h LEU 30 Ca 0.16 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3h1k h LEU 30 Cb 0.57 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 3h1k h LEU 30 CO -0.61 -0.05 -0.40 0.15 0.09 0.00 0.00 178.44 177.62 3h1k h PHE 31 N -0.01 -1.15 0.00 1.13 3.57 0.48 -0.76 116.94 120.20 3h1k h PHE 31 Ca 0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3h1k h PHE 31 Cb 0.11 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3h1k h PHE 31 CO -0.18 -0.46 0.00 -1.91 -2.23 0.00 0.00 178.31 173.53 3h1k n GLU 32 N -5.43 0.00 -0.27 1.11 2.13 0.81 0.11 120.64 119.10 3h1k n GLU 32 Ca -0.04 0.51 0.24 0.00 0.66 0.00 0.00 57.16 58.52 3h1k n GLU 32 Cb 0.36 -1.30 0.40 0.00 0.27 0.00 0.00 31.44 31.17 3h1k n GLU 32 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3h1k n ARG 33 N -1.73 -0.02 0.00 5.31 0.63 -0.64 0.48 116.66 120.69 3h1k n ARG 33 Ca 0.00 0.78 0.05 0.00 -0.92 0.00 0.00 57.85 57.76 3h1k n ARG 33 Cb 0.00 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.38 3h1k n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h1k n ALA 34 N -2.56 3.16 0.09 5.13 0.00 -0.31 -4.16 120.51 121.87 3h1k n ALA 34 Ca 0.24 -0.38 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 3h1k n ALA 34 Cb 0.92 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 3h1k n ALA 34 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3h1k h PHE 35 N 0.65 0.79 0.74 0.00 3.57 0.60 -3.20 116.94 120.08 3h1k h PHE 35 Ca 0.00 -0.57 -0.03 0.00 3.53 0.00 0.00 57.97 60.89 3h1k h PHE 35 Cb 0.32 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.03 3h1k h PHE 35 CO 0.00 1.58 -0.39 -0.44 -2.23 0.00 0.00 178.31 176.83 3h1k h ASP 36 N 0.03 -0.95 -0.57 0.41 3.32 -1.58 -0.28 116.42 116.79 3h1k h ASP 36 Ca -0.28 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.86 3h1k h ASP 36 Cb 2.05 0.26 -0.07 0.00 0.22 0.00 0.00 39.33 41.79 3h1k h ASP 36 CO 0.20 -0.64 -0.34 0.00 -1.72 0.00 0.00 179.24 176.74 3h1k n GLN 37 N -5.55 -0.25 -0.09 3.56 6.02 -1.26 0.74 117.38 120.55 3h1k n GLN 37 Ca -0.14 1.28 -0.09 0.00 -0.01 0.00 0.00 57.00 58.03 3h1k n GLN 37 Cb 0.43 -1.89 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 3h1k n GLN 37 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3h1k h GLY 38 N 0.00 -0.43 0.47 1.08 0.00 -1.53 0.50 103.07 103.18 3h1k h GLY 38 Ca 0.09 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.88 3h1k h GLY 38 CO -0.54 -0.20 -0.46 0.00 0.00 0.00 0.00 176.54 175.33 3h1k h ALA 39 N 0.53 -0.99 -0.30 3.60 0.00 0.92 0.52 119.26 123.53 3h1k h ALA 39 Ca 0.14 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3h1k h ALA 39 Cb 0.57 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3h1k h ALA 39 CO -0.51 -1.10 -0.25 -0.44 0.00 0.00 0.00 179.25 176.95 3h1k h ASP 40 N -0.88 -0.82 -0.23 0.00 3.32 0.82 0.27 116.42 118.89 3h1k h ASP 40 Ca -0.04 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.22 3h1k h ASP 40 Cb 0.80 0.40 -0.06 0.00 0.22 0.00 0.00 39.33 40.68 3h1k h ASP 40 CO -0.11 -0.28 -0.17 0.00 -1.72 0.00 0.00 179.24 176.97 3h1k h ALA 41 N 0.85 -0.00 -0.17 3.45 0.00 0.45 0.23 119.26 124.07 3h1k h ALA 41 Ca 0.16 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3h1k h ALA 41 Cb 0.47 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3h1k h ALA 41 CO -0.44 -0.58 -0.12 0.82 0.00 0.00 0.00 179.25 178.92 3h1k h ILE 42 N -0.16 0.64 -0.06 0.00 2.04 0.13 -1.32 117.51 118.79 3h1k h ILE 42 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 3h1k h ILE 42 Cb 0.36 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3h1k h ILE 42 CO -0.33 0.00 -0.25 0.15 0.00 0.00 0.00 178.15 177.72 3h1k h PHE 43 N -0.13 -0.67 -0.15 1.37 3.57 0.36 -2.11 116.94 119.17 3h1k h PHE 43 Ca 0.10 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3h1k h PHE 43 Cb 0.28 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 3h1k h PHE 43 CO -0.27 -0.34 -0.12 0.93 -2.23 0.00 0.00 178.31 176.29 3h1k h GLU 44 N -0.36 -0.13 -0.77 1.11 5.08 -0.74 -2.10 114.58 116.68 3h1k h GLU 44 Ca 0.08 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 3h1k h GLU 44 Cb 0.47 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 3h1k h GLU 44 CO -0.26 -0.08 0.22 1.25 -1.00 0.00 0.00 179.01 179.14 3h1k h HIS 45 N -0.13 0.35 0.00 4.33 2.76 -0.86 1.09 115.15 122.69 3h1k h HIS 45 Ca 0.10 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 3h1k h HIS 45 Cb 0.27 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3h1k h HIS 45 CO -0.25 -0.07 0.00 1.28 -1.30 0.00 0.00 177.93 177.59 3h1k n LEU 46 N -5.13 0.00 -2.57 0.26 4.77 -0.80 -2.38 117.00 111.15 3h1k n LEU 46 Ca 0.15 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.25 3h1k n LEU 46 Cb 0.49 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3h1k n LEU 46 CO 0.13 -0.18 0.02 0.59 -1.33 0.00 0.00 177.39 176.62 3h1k n ASN 47 N -1.27 2.80 -4.68 -1.43 3.02 0.37 -5.09 115.26 108.98 3h1k n ASN 47 Ca 0.05 -3.03 -0.42 0.00 -0.03 0.00 0.00 54.58 51.15 3h1k n ASN 47 Cb 0.08 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 3h1k n ASN 47 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h1k s GLU 48 N -3.38 4.14 0.00 3.52 0.41 -1.00 -2.38 118.70 120.01 3h1k s GLU 48 Ca 0.36 2.57 0.00 0.00 -0.41 0.00 0.00 54.97 57.49 3h1k s GLU 48 Cb 0.42 -3.81 0.00 0.00 -1.78 0.00 0.00 34.13 28.96 3h1k s GLU 48 CO -0.04 -0.87 0.00 0.41 -0.49 0.00 0.00 175.26 174.26 3h1k n GLY 49 N 4.32 0.34 0.07 -1.39 0.00 -1.26 -4.86 105.19 102.42 3h1k n GLY 49 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3h1k n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1k n LYS 50 N -1.61 0.67 -2.78 1.61 5.02 -1.00 -4.63 118.16 115.44 3h1k n LYS 50 Ca 0.00 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 3h1k n LYS 50 Cb 0.17 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3h1k n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h1k s LEU 51 N -5.27 3.85 0.60 -0.35 1.43 -1.26 -4.93 118.68 112.76 3h1k s LEU 51 Ca -0.09 1.42 0.37 0.00 -1.03 0.00 0.00 54.13 54.80 3h1k s LEU 51 Cb 0.08 -4.30 1.92 0.00 0.03 0.00 0.00 46.19 43.92 3h1k s LEU 51 CO 0.85 -0.40 2.21 -0.25 0.23 0.00 0.00 176.35 178.99 3h1k h TRP 52 N 1.54 0.00 -0.13 0.29 2.91 -1.94 0.16 115.95 118.78 3h1k h TRP 52 Ca -0.48 0.00 0.02 0.00 1.13 0.00 0.00 58.89 59.57 3h1k h TRP 52 Cb 1.18 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.83 3h1k h TRP 52 CO 0.62 0.03 0.09 -0.22 -1.03 0.00 0.00 178.44 177.93 3h1k h LYS 53 N 0.00 0.07 0.00 2.65 3.64 -1.99 -2.30 116.57 118.65 3h1k h LYS 53 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3h1k h LYS 53 Cb 0.18 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3h1k h LYS 53 CO 0.00 0.05 -0.12 0.45 -2.27 0.00 0.00 179.45 177.56 3h1k h HIS 54 N 0.08 0.00 0.00 1.91 3.86 -1.04 -3.38 115.15 116.58 3h1k h HIS 54 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3h1k h HIS 54 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3h1k h HIS 54 CO -0.00 0.00 0.00 0.44 0.86 0.00 0.00 177.93 179.23 3h1k n ILE 55 N -3.20 0.02 0.06 2.45 -5.35 -1.06 -3.59 119.36 108.69 3h1k n ILE 55 Ca -0.02 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.25 3h1k n ILE 55 Cb 0.06 -0.22 -0.13 0.00 -1.74 0.00 0.00 39.64 37.61 3h1k n ILE 55 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3h1k h LYS 56 N 0.62 0.49 0.00 6.28 3.64 -1.59 -3.29 116.57 122.73 3h1k h LYS 56 Ca 0.00 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 3h1k h LYS 56 Cb 0.21 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3h1k h LYS 56 CO 0.00 1.29 0.44 1.12 -2.27 0.00 0.00 179.45 180.03 3h1k h HIS 57 N 0.02 0.00 -0.00 1.91 2.07 -1.86 -1.45 115.15 115.83 3h1k h HIS 57 Ca -0.16 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.36 3h1k h HIS 57 Cb 1.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.71 3h1k h HIS 57 CO 0.14 0.00 -0.03 1.63 -3.07 0.00 0.00 177.93 176.61 3h1k n LYS 58 N -2.11 0.61 0.00 5.12 5.02 -1.24 -4.13 118.16 121.43 3h1k n LYS 58 Ca -0.01 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3h1k n LYS 58 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 3h1k n LYS 58 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3h1k n TYR 59 N -1.14 0.00 -2.82 2.13 4.02 -0.57 -4.84 117.16 113.95 3h1k n TYR 59 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.62 3h1k n TYR 59 Cb 0.23 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.52 3h1k n TYR 59 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3h1k s GLU 60 N 0.00 3.63 0.00 -0.72 2.56 -1.07 -4.06 118.70 119.04 3h1k s GLU 60 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 54.97 53.35 3h1k s GLU 60 Cb 0.00 -5.06 0.00 0.00 2.00 0.00 0.00 34.13 31.07 3h1k s GLU 60 CO 0.00 -1.91 0.00 0.00 -0.56 0.00 0.00 175.26 172.79 3h1k n ALA 61 N 7.21 0.00 -3.18 6.30 0.00 -1.26 -4.90 120.51 124.68 3h1k n ALA 61 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.53 3h1k n ALA 61 Cb 0.49 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 3h1k n ALA 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h1k n SER 62 N 1.53 0.66 -3.63 0.00 7.64 -1.26 -5.10 113.62 113.47 3h1k n SER 62 Ca 0.00 -2.99 -0.06 0.00 1.01 0.00 0.00 58.87 56.83 3h1k n SER 62 Cb 0.00 -0.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.59 3h1k n SER 62 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3h1k s GLU 63 N -2.20 0.28 0.00 1.43 2.12 -1.26 -4.68 118.70 114.39 3h1k s GLU 63 Ca 0.39 0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.91 3h1k s GLU 63 Cb 0.33 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.85 3h1k s GLU 63 CO -0.08 -0.06 0.00 -1.91 -0.54 0.00 0.00 175.26 172.66