#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5k n GLU 2 N 0.00 -4.72 -2.09 0.03 4.71 -1.26 -4.90 120.64 112.41 1a5k n GLU 2 Ca 0.00 0.68 -0.42 0.00 -0.01 0.00 0.00 57.16 57.41 1a5k n GLU 2 Cb 0.00 -5.30 -0.03 0.00 -1.01 0.00 0.00 31.44 25.10 1a5k n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1a5k s LEU 3 N -6.47 4.36 0.70 -4.62 1.43 -1.26 -5.01 118.68 107.81 1a5k s LEU 3 Ca 0.08 2.36 -0.08 0.00 -1.03 0.00 0.00 54.13 55.47 1a5k s LEU 3 Cb -0.02 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.68 1a5k s LEU 3 CO 0.79 -0.75 1.03 0.42 0.23 0.00 0.00 176.35 178.07 1a5k s THR 4 N 1.75 2.54 0.33 5.49 -4.23 -1.26 -4.92 115.64 115.34 1a5k s THR 4 Ca 0.67 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1a5k s THR 4 Cb -0.37 -3.11 0.27 0.00 1.34 0.00 0.00 72.50 70.63 1a5k s THR 4 CO 0.30 -0.12 1.99 -0.65 -0.54 0.00 0.00 174.62 175.60 1a5k h PRO 5 N -0.61 0.92 -0.14 3.99 0.11 -2.00 -2.35 132.00 131.93 1a5k h PRO 5 Ca -0.45 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1a5k h PRO 5 Cb 1.30 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1a5k h PRO 5 CO 0.62 0.61 -0.23 0.07 -0.21 0.00 0.00 178.00 178.86 1a5k h ARG 6 N 0.95 0.24 -0.14 1.05 0.11 -1.99 -0.64 114.38 113.96 1a5k h ARG 6 Ca 0.27 -0.07 -0.19 0.00 0.10 0.00 0.00 59.98 60.08 1a5k h ARG 6 Cb -0.07 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 30.99 1a5k h ARG 6 CO -0.06 0.47 -0.69 0.93 0.10 0.00 0.00 179.97 180.71 1a5k h GLU 7 N 0.22 0.59 0.00 0.08 5.08 -1.81 -2.49 114.58 116.25 1a5k h GLU 7 Ca 0.04 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 1a5k h GLU 7 Cb 0.53 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1a5k h GLU 7 CO 0.04 1.07 -0.59 0.87 -1.00 0.00 0.00 179.01 179.39 1a5k h LYS 8 N 0.42 0.00 -0.41 2.33 1.57 -1.11 -2.99 116.57 116.39 1a5k h LYS 8 Ca -0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1a5k h LYS 8 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 1a5k h LYS 8 CO 0.13 0.59 -0.29 0.22 -0.57 0.00 0.00 179.45 179.54 1a5k h ASP 9 N 0.00 0.96 0.76 0.86 3.58 -1.00 -2.70 116.42 118.88 1a5k h ASP 9 Ca -0.01 -0.44 -0.00 0.00 0.42 0.00 0.00 57.03 57.00 1a5k h ASP 9 Cb 1.05 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 1a5k h ASP 9 CO 0.08 1.19 -0.02 0.11 -2.88 0.00 0.00 179.24 177.72 1a5k h LYS 10 N 0.73 0.00 0.00 0.28 1.79 -1.35 -1.43 116.57 116.59 1a5k h LYS 10 Ca 0.08 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1a5k h LYS 10 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1a5k h LYS 10 CO 0.08 0.02 -0.26 -0.07 -1.08 0.00 0.00 179.45 178.13 1a5k h LEU 11 N 0.00 0.00 -0.19 2.94 3.38 -1.33 -0.45 115.31 119.66 1a5k h LEU 11 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1a5k h LEU 11 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1a5k h LEU 11 CO 0.00 0.26 -0.65 0.25 0.09 0.00 0.00 178.44 178.39 1a5k h LEU 12 N 0.00 0.90 0.03 1.67 6.46 -1.28 -2.02 115.31 121.07 1a5k h LEU 12 Ca -0.00 -0.60 -0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1a5k h LEU 12 Cb 0.70 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1a5k h LEU 12 CO 0.03 1.34 -0.02 0.25 -0.62 0.00 0.00 178.44 179.43 1a5k h LEU 13 N 0.50 -0.04 -0.33 2.25 5.85 -1.34 -0.55 115.31 121.65 1a5k h LEU 13 Ca -0.03 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1a5k h LEU 13 Cb 1.28 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1a5k h LEU 13 CO 0.14 0.18 -0.15 0.15 -0.34 0.00 0.00 178.44 178.42 1a5k h PHE 14 N -0.25 -0.36 -0.79 1.25 3.57 -1.13 -0.39 116.94 118.84 1a5k h PHE 14 Ca -0.00 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1a5k h PHE 14 Cb 0.24 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1a5k h PHE 14 CO -0.00 -0.22 0.30 1.15 -2.23 0.00 0.00 178.31 177.30 1a5k h THR 15 N -0.09 1.26 -0.31 4.41 2.02 -1.27 -1.19 112.91 117.74 1a5k h THR 15 Ca 0.17 -0.85 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1a5k h THR 15 Cb 0.35 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1a5k h THR 15 CO -0.39 0.35 0.10 0.00 0.37 0.00 0.00 175.52 175.94 1a5k h ALA 16 N 1.16 1.60 -0.07 6.16 0.00 -0.24 -1.79 119.26 126.07 1a5k h ALA 16 Ca 0.26 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1a5k h ALA 16 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1a5k h ALA 16 CO -0.02 0.31 -0.60 0.00 0.00 0.00 0.00 179.25 178.95 1a5k h ALA 17 N 1.67 0.86 -0.48 0.00 0.00 -0.06 -2.85 119.26 118.42 1a5k h ALA 17 Ca 0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 1a5k h ALA 17 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1a5k h ALA 17 CO -0.01 0.72 0.14 -0.07 0.00 0.00 0.00 179.25 180.04 1a5k h LEU 18 N 0.17 0.65 0.21 0.00 3.38 -0.37 -0.40 115.31 118.94 1a5k h LEU 18 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1a5k h LEU 18 Cb 1.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1a5k h LEU 18 CO 0.09 0.63 -0.10 0.58 0.09 0.00 0.00 178.44 179.73 1a5k h VAL 19 N 0.69 0.86 -0.54 1.22 2.07 -1.28 -2.61 116.25 116.66 1a5k h VAL 19 Ca 0.16 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1a5k h VAL 19 Cb 0.22 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1a5k h VAL 19 CO -0.01 0.08 0.33 0.00 0.02 0.00 0.00 177.57 177.99 1a5k h ALA 20 N 0.30 0.68 -0.88 1.67 0.00 -1.32 -2.27 119.26 117.44 1a5k h ALA 20 Ca -0.03 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a5k h ALA 20 Cb 0.35 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1a5k h ALA 20 CO 0.05 0.16 0.53 1.49 0.00 0.00 0.00 179.25 181.48 1a5k h GLU 21 N 0.72 0.89 -0.21 0.00 4.81 -1.07 -0.26 114.58 119.47 1a5k h GLU 21 Ca 0.19 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 1a5k h GLU 21 Cb -0.03 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1a5k h GLU 21 CO -0.04 0.59 -0.56 0.00 -0.73 0.00 0.00 179.01 178.27 1a5k h ARG 22 N 0.92 0.64 -0.35 1.92 3.08 -1.09 -2.42 114.38 117.08 1a5k h ARG 22 Ca 0.41 -0.41 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1a5k h ARG 22 Cb 0.29 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1a5k h ARG 22 CO -0.22 1.03 -0.41 0.00 -1.07 0.00 0.00 179.97 179.30 1a5k h ARG 23 N 0.49 0.87 -0.78 0.04 3.08 -0.89 -2.59 114.38 114.61 1a5k h ARG 23 Ca 0.01 -0.47 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 1a5k h ARG 23 Cb 1.12 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 1a5k h ARG 23 CO 0.11 1.11 0.38 1.25 -1.07 0.00 0.00 179.97 181.75 1a5k h LEU 24 N 0.70 1.01 -1.22 3.04 5.85 -1.04 -1.75 115.31 121.90 1a5k h LEU 24 Ca 0.05 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1a5k h LEU 24 Cb 0.99 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1a5k h LEU 24 CO 0.10 0.85 0.53 0.00 -0.34 0.00 0.00 178.44 179.58 1a5k h ALA 25 N 1.30 1.48 0.00 1.25 0.00 -1.16 0.80 119.26 122.93 1a5k h ALA 25 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1a5k h ALA 25 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1a5k h ALA 25 CO -0.03 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.21 1a5k n ARG 26 N -4.44 0.17 -0.90 0.00 1.74 -0.70 -4.87 116.66 107.67 1a5k n ARG 26 Ca 0.10 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1a5k n ARG 26 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1a5k n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a5k n GLY 27 N 0.36 0.84 3.89 -0.13 0.00 0.28 -5.07 105.19 105.36 1a5k n GLY 27 Ca 0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1a5k n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5k s LEU 28 N 0.00 3.90 -0.36 0.99 1.43 -0.98 -5.03 118.68 118.63 1a5k s LEU 28 Ca 0.00 0.99 -0.23 0.00 -1.03 0.00 0.00 54.13 53.86 1a5k s LEU 28 Cb 0.00 -3.85 0.01 0.00 0.03 0.00 0.00 46.19 42.38 1a5k s LEU 28 CO 0.00 -0.34 0.76 -0.54 0.23 0.00 0.00 176.35 176.46 1a5k s LYS 29 N -3.78 3.75 0.61 1.70 1.02 -1.26 -4.55 119.74 117.23 1a5k s LYS 29 Ca 0.49 0.28 -0.19 0.00 0.02 0.00 0.00 55.97 56.57 1a5k s LYS 29 Cb -0.10 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1a5k s LYS 29 CO 0.31 -0.83 1.24 -0.51 -0.92 0.00 0.00 175.35 174.64 1a5k s LEU 30 N 3.03 3.64 0.00 3.17 1.43 -0.48 -4.36 118.68 125.12 1a5k s LEU 30 Ca 0.30 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1a5k s LEU 30 Cb -0.13 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1a5k s LEU 30 CO 0.16 -1.73 0.00 -0.46 0.23 0.00 0.00 176.35 174.56 1a5k n ASN 31 N -1.67 0.00 0.37 2.29 0.23 -1.26 -0.83 115.26 114.39 1a5k n ASN 31 Ca 0.14 -0.76 -0.15 0.00 -0.53 0.00 0.00 54.58 53.28 1a5k n ASN 31 Cb 0.49 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.12 1a5k n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1a5k h TYR 32 N -0.21 -0.88 -0.35 -2.53 3.20 -1.96 -1.99 116.97 112.25 1a5k h TYR 32 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1a5k h TYR 32 Cb 0.00 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1a5k h TYR 32 CO 0.00 -0.55 0.18 -1.00 -1.64 0.00 0.00 178.16 175.15 1a5k h PRO 33 N -1.05 0.48 -0.42 1.82 0.13 -2.00 -2.45 132.00 128.50 1a5k h PRO 33 Ca -0.10 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.95 1a5k h PRO 33 Cb 0.73 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 1a5k h PRO 33 CO 0.16 0.36 0.13 0.93 -0.23 0.00 0.00 178.00 179.36 1a5k h GLU 34 N 0.48 0.66 -0.15 0.86 5.08 -1.93 -1.93 114.58 117.65 1a5k h GLU 34 Ca 0.12 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a5k h GLU 34 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1a5k h GLU 34 CO -0.02 0.65 0.10 0.77 -1.00 0.00 0.00 179.01 179.50 1a5k h SER 35 N 0.54 0.18 -0.37 1.42 0.02 -0.98 -1.13 113.55 113.23 1a5k h SER 35 Ca 0.14 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1a5k h SER 35 Cb 0.26 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1a5k h SER 35 CO -0.00 0.16 0.24 0.58 -1.14 0.00 0.00 176.83 176.66 1a5k h VAL 36 N 0.19 1.08 -0.58 2.27 2.07 -1.37 -1.87 116.25 118.04 1a5k h VAL 36 Ca 0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1a5k h VAL 36 Cb 0.01 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1a5k h VAL 36 CO -0.01 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.94 1a5k h ALA 37 N 1.14 0.75 -0.07 1.67 0.00 -1.24 -0.98 119.26 120.53 1a5k h ALA 37 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5k h ALA 37 Cb -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1a5k h ALA 37 CO -0.04 0.32 0.03 1.25 0.00 0.00 0.00 179.25 180.80 1a5k h LEU 38 N 0.79 0.10 -0.69 0.00 5.85 -0.96 -1.28 115.31 119.11 1a5k h LEU 38 Ca 0.20 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1a5k h LEU 38 Cb 0.13 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1a5k h LEU 38 CO -0.02 0.25 -0.22 0.40 -0.34 0.00 0.00 178.44 178.51 1a5k h ILE 39 N -0.05 1.27 -0.20 4.05 2.04 -1.32 -2.64 117.51 120.66 1a5k h ILE 39 Ca 0.02 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1a5k h ILE 39 Cb 0.19 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1a5k h ILE 39 CO -0.00 0.44 0.08 0.28 0.00 0.00 0.00 178.15 178.95 1a5k h SER 40 N 0.68 0.27 -0.98 1.72 0.02 -1.10 -2.58 113.55 111.59 1a5k h SER 40 Ca 0.10 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1a5k h SER 40 Cb 0.73 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.14 1a5k h SER 40 CO 0.06 0.37 0.64 0.00 -1.14 0.00 0.00 176.83 176.76 1a5k h ALA 41 N 0.91 1.37 -0.07 3.77 0.00 -1.19 -2.29 119.26 121.77 1a5k h ALA 41 Ca 0.06 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1a5k h ALA 41 Cb 0.18 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1a5k h ALA 41 CO -0.00 0.53 -0.12 0.35 0.00 0.00 0.00 179.25 180.00 1a5k h PHE 42 N 1.22 -0.29 -0.93 0.00 3.57 -1.19 -2.40 116.94 116.92 1a5k h PHE 42 Ca 0.39 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.93 1a5k h PHE 42 Cb 0.02 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1a5k h PHE 42 CO -0.00 -0.18 0.61 0.82 -2.23 0.00 0.00 178.31 177.34 1a5k h ILE 43 N -0.17 1.19 -0.84 1.41 2.04 -1.06 -1.47 117.51 118.62 1a5k h ILE 43 Ca 0.06 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1a5k h ILE 43 Cb 0.26 -0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 1a5k h ILE 43 CO -0.17 0.22 0.44 0.24 0.00 0.00 0.00 178.15 178.89 1a5k h MET 44 N 1.21 1.18 0.00 2.37 2.86 -1.00 -1.23 114.93 120.32 1a5k h MET 44 Ca 0.36 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1a5k h MET 44 Cb -0.06 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 1a5k h MET 44 CO -0.10 0.88 -0.48 0.93 1.06 0.00 0.00 176.91 179.19 1a5k h GLU 45 N 1.17 0.00 -0.36 1.72 4.39 -1.00 -1.59 114.58 118.90 1a5k h GLU 45 Ca 0.29 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1a5k h GLU 45 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1a5k h GLU 45 CO -0.04 0.48 0.09 0.78 -1.16 0.00 0.00 179.01 179.16 1a5k h GLY 46 N 1.75 0.62 1.01 -3.84 0.00 -0.24 -0.84 103.07 101.53 1a5k h GLY 46 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1a5k h GLY 46 CO 0.06 0.36 0.28 0.00 0.00 0.00 0.00 176.54 177.24 1a5k h ALA 47 N 0.94 0.88 -0.53 3.60 0.00 -0.95 -1.79 119.26 121.40 1a5k h ALA 47 Ca 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1a5k h ALA 47 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1a5k h ALA 47 CO -0.00 0.49 0.28 -0.09 0.00 0.00 0.00 179.25 179.93 1a5k h ARG 48 N 0.96 0.74 0.00 0.00 9.65 -0.98 -1.10 114.38 123.65 1a5k h ARG 48 Ca 0.23 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1a5k h ARG 48 Cb 0.19 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1a5k h ARG 48 CO -0.02 0.55 0.00 -0.44 2.80 0.00 0.00 179.97 182.86 1a5k h ASP 49 N 0.74 0.00 0.00 -3.80 3.32 -0.46 -3.47 116.42 112.76 1a5k h ASP 49 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1a5k h ASP 49 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1a5k h ASP 49 CO -0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.10 1a5k n GLY 50 N 0.20 1.03 3.77 2.75 0.00 -0.42 -5.08 105.19 107.44 1a5k n GLY 50 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1a5k n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5k s LYS 51 N -0.92 3.10 0.63 1.61 1.02 -0.74 -4.92 119.74 119.51 1a5k s LYS 51 Ca 0.00 1.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 1a5k s LYS 51 Cb 0.00 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1a5k s LYS 51 CO 0.00 -1.05 1.04 -1.54 -0.92 0.00 0.00 175.35 172.87 1a5k s SER 52 N -1.95 6.16 0.17 2.83 1.04 -1.26 -4.58 113.70 116.11 1a5k s SER 52 Ca 0.72 1.40 -0.14 0.00 0.48 0.00 0.00 55.95 58.42 1a5k s SER 52 Cb -0.24 -2.43 0.12 0.00 0.10 0.00 0.00 66.02 63.56 1a5k s SER 52 CO 0.32 -0.91 1.78 0.58 0.98 0.00 0.00 173.24 175.99 1a5k h VAL 53 N -0.35 0.97 -0.80 5.02 2.07 -1.95 -2.24 116.25 118.96 1a5k h VAL 53 Ca -0.44 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.00 1a5k h VAL 53 Cb 1.19 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1a5k h VAL 53 CO 0.62 0.09 0.46 0.00 0.02 0.00 0.00 177.57 178.76 1a5k h ALA 54 N 1.26 1.12 -0.28 1.67 0.00 -1.97 -0.66 119.26 120.40 1a5k h ALA 54 Ca 0.21 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1a5k h ALA 54 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a5k h ALA 54 CO -0.14 0.12 0.02 0.77 0.00 0.00 0.00 179.25 180.02 1a5k h SER 55 N 0.81 0.47 -0.41 0.00 0.02 -1.83 -3.12 113.55 109.48 1a5k h SER 55 Ca 0.37 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1a5k h SER 55 Cb 0.29 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1a5k h SER 55 CO -0.22 0.64 0.06 -0.07 -1.14 0.00 0.00 176.83 176.09 1a5k h LEU 56 N 0.28 0.73 -2.50 5.07 3.38 -0.87 0.19 115.31 121.59 1a5k h LEU 56 Ca 0.08 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1a5k h LEU 56 Cb 0.39 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1a5k h LEU 56 CO 0.01 0.76 0.09 0.24 0.09 0.00 0.00 178.44 179.64 1a5k h MET 57 N 0.74 0.00 0.00 1.13 2.86 -1.07 0.55 114.93 119.14 1a5k h MET 57 Ca 0.15 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 1a5k h MET 57 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1a5k h MET 57 CO 0.01 0.00 -1.07 -1.91 1.06 0.00 0.00 176.91 175.00 1a5k n GLU 58 N -3.54 0.51 0.09 1.72 4.07 -0.72 -4.46 120.64 118.31 1a5k n GLU 58 Ca -0.02 0.45 0.13 0.00 -0.06 0.00 0.00 57.16 57.66 1a5k n GLU 58 Cb 0.18 -1.63 0.62 0.00 -0.06 0.00 0.00 31.44 30.54 1a5k n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1a5k h GLU 59 N -1.00 0.11 0.00 5.31 5.08 -0.75 -1.79 114.58 121.54 1a5k h GLU 59 Ca -0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1a5k h GLU 59 Cb 0.96 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1a5k h GLU 59 CO -0.11 0.07 0.00 0.78 -1.00 0.00 0.00 179.01 178.75 1a5k h GLY 60 N 0.11 0.00 -0.48 -3.84 0.00 -1.11 -1.46 103.07 96.28 1a5k h GLY 60 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1a5k h GLY 60 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.06 1a5k n ARG 61 N -2.71 1.60 -0.43 4.80 1.74 -0.67 -3.93 116.66 117.06 1a5k n ARG 61 Ca -0.01 -0.89 0.07 0.00 -0.77 0.00 0.00 57.85 56.25 1a5k n ARG 61 Cb 0.12 -1.41 0.15 0.00 -1.02 0.00 0.00 32.46 30.30 1a5k n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1a5k n HIS 62 N 0.10 0.00 -0.02 -1.55 8.25 -0.55 -4.69 115.22 116.76 1a5k n HIS 62 Ca 0.17 -1.11 -0.21 0.00 -0.26 0.00 0.00 57.72 56.31 1a5k n HIS 62 Cb 0.30 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 31.09 1a5k n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a5k h VAL 63 N 1.44 0.95 -4.03 1.59 2.07 -1.69 -3.47 116.25 113.11 1a5k h VAL 63 Ca -0.02 -2.33 -0.39 0.00 0.82 0.00 0.00 66.70 64.77 1a5k h VAL 63 Cb 1.09 2.58 -0.27 0.00 -1.52 0.00 0.00 31.29 33.17 1a5k h VAL 63 CO 0.01 0.65 -0.78 -0.76 0.02 0.00 0.00 177.57 176.70 1a5k s LEU 64 N -7.55 2.07 0.37 2.57 1.43 -1.26 -5.10 118.68 111.21 1a5k s LEU 64 Ca -0.22 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1a5k s LEU 64 Cb 0.05 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 1a5k s LEU 64 CO 0.72 0.07 0.36 0.42 0.23 0.00 0.00 176.35 178.15 1a5k s THR 65 N -0.45 3.19 0.55 5.49 -4.23 -1.26 -4.28 115.64 114.66 1a5k s THR 65 Ca 0.02 -1.31 0.25 0.00 -1.18 0.00 0.00 61.69 59.47 1a5k s THR 65 Cb -0.05 -3.11 0.35 0.00 1.34 0.00 0.00 72.50 71.03 1a5k s THR 65 CO 0.00 -0.09 2.08 -0.09 -0.54 0.00 0.00 174.62 175.98 1a5k h ARG 66 N 1.10 0.00 -0.01 3.99 2.43 -1.89 -0.85 114.38 119.15 1a5k h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1a5k h ARG 66 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1a5k h ARG 66 CO 0.57 0.00 -0.10 -0.85 -1.51 0.00 0.00 179.97 178.07 1a5k n GLU 67 N -4.16 0.98 0.00 0.20 0.00 -1.26 -3.49 120.64 112.90 1a5k n GLU 67 Ca 0.03 -0.43 0.11 0.00 0.00 0.00 0.00 57.16 56.87 1a5k n GLU 67 Cb 0.36 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 30.31 1a5k n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1a5k n GLN 68 N -0.64 1.38 -4.44 3.44 6.02 -0.33 -4.97 117.38 117.85 1a5k n GLN 68 Ca 0.16 -1.06 -0.22 0.00 -0.01 0.00 0.00 57.00 55.86 1a5k n GLN 68 Cb 0.29 -1.45 -0.10 0.00 1.02 0.00 0.00 30.24 30.00 1a5k n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1a5k s VAL 69 N -2.34 2.23 0.80 5.09 -7.23 -1.22 -1.38 120.40 116.36 1a5k s VAL 69 Ca 0.19 -2.34 -0.12 0.00 -1.81 0.00 0.00 61.98 57.90 1a5k s VAL 69 Cb 0.17 -2.24 0.08 0.00 0.56 0.00 0.00 36.38 34.95 1a5k s VAL 69 CO 0.52 -0.45 1.15 -0.04 -0.31 0.00 0.00 175.10 175.97 1a5k s MET 70 N -3.56 1.82 0.40 4.82 -1.94 -0.01 -4.79 119.30 116.04 1a5k s MET 70 Ca 0.28 1.50 -0.27 0.00 -1.71 0.00 0.00 55.69 55.49 1a5k s MET 70 Cb -0.03 -1.82 -0.09 0.00 2.01 0.00 0.00 34.83 34.89 1a5k s MET 70 CO 0.13 -2.02 1.41 -2.00 -0.01 0.00 0.00 175.02 172.52 1a5k s GLU 71 N -4.45 3.95 0.00 2.03 2.12 -1.26 -2.22 118.70 118.87 1a5k s GLU 71 Ca 0.67 2.41 0.00 0.00 0.36 0.00 0.00 54.97 58.41 1a5k s GLU 71 Cb -0.23 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1a5k s GLU 71 CO 0.52 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 1a5k n GLY 72 N 0.57 2.86 0.22 -1.50 0.00 -1.26 -4.88 105.19 101.20 1a5k n GLY 72 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1a5k n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5k h VAL 73 N 0.00 0.88 -0.98 1.61 2.07 -1.81 -2.23 116.25 115.79 1a5k h VAL 73 Ca 0.00 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.45 1a5k h VAL 73 Cb 0.00 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 1a5k h VAL 73 CO 0.00 0.08 0.63 -0.65 0.02 0.00 0.00 177.57 177.65 1a5k h PRO 74 N 0.46 1.02 0.00 1.57 0.11 -1.90 -0.66 132.00 132.60 1a5k h PRO 74 Ca 0.25 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1a5k h PRO 74 Cb 0.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1a5k h PRO 74 CO -0.21 0.67 0.00 0.93 -0.21 0.00 0.00 178.00 179.18 1a5k h GLU 75 N 1.05 0.00 -0.00 1.05 3.07 -1.78 -2.81 114.58 115.14 1a5k h GLU 75 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1a5k h GLU 75 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1a5k h GLU 75 CO -0.21 0.00 -0.08 -1.33 -1.40 0.00 0.00 179.01 175.99 1a5k n MET 76 N -2.62 0.75 -3.51 2.33 2.81 -0.27 -4.41 117.12 112.21 1a5k n MET 76 Ca 0.03 -0.23 -0.27 0.00 -1.81 0.00 0.00 57.70 55.42 1a5k n MET 76 Cb 0.38 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.30 1a5k n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1a5k n ILE 77 N -0.92 0.36 0.31 2.02 5.41 -1.06 -4.93 119.36 120.54 1a5k n ILE 77 Ca 0.16 -4.28 0.20 0.00 1.00 0.00 0.00 62.75 59.82 1a5k n ILE 77 Cb 0.26 -1.95 0.94 0.00 -0.71 0.00 0.00 39.64 38.18 1a5k n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1a5k h PRO 78 N 4.99 0.00 -2.22 0.38 0.13 -1.77 -3.40 132.00 130.11 1a5k h PRO 78 Ca 0.18 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.48 1a5k h PRO 78 Cb 0.81 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.83 1a5k h PRO 78 CO 0.57 0.00 0.53 0.16 -0.23 0.00 0.00 178.00 179.03 1a5k s ASP 79 N -5.41 -0.25 -0.01 1.44 1.47 -1.26 -0.48 116.67 112.17 1a5k s ASP 79 Ca -0.02 -0.20 0.01 0.00 1.18 0.00 0.00 52.55 53.52 1a5k s ASP 79 Cb 0.11 0.41 0.01 0.00 -0.34 0.00 0.00 42.92 43.10 1a5k s ASP 79 CO 0.48 -0.71 -0.03 -0.63 0.68 0.00 0.00 175.17 174.95 1a5k s ILE 80 N -3.12 0.29 -0.00 2.11 1.01 -0.14 -4.95 121.20 116.40 1a5k s ILE 80 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1a5k s ILE 80 Cb -0.01 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1a5k s ILE 80 CO -0.03 0.11 -0.09 -1.10 0.00 0.00 0.00 174.94 173.82 1a5k s GLN 81 N 0.25 0.74 -0.12 2.79 -0.21 -1.26 -0.83 119.66 121.02 1a5k s GLN 81 Ca -0.02 -0.37 -0.28 0.00 0.02 0.00 0.00 55.36 54.71 1a5k s GLN 81 Cb -0.05 -0.71 0.07 0.00 1.00 0.00 0.00 33.01 33.31 1a5k s GLN 81 CO -0.00 0.19 0.67 0.54 -2.12 0.00 0.00 175.29 174.57 1a5k s VAL 82 N -0.29 0.00 0.11 1.09 0.11 -1.05 -5.01 120.40 115.36 1a5k s VAL 82 Ca 0.03 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.13 1a5k s VAL 82 Cb -0.04 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1a5k s VAL 82 CO -0.00 -0.01 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.04 1a5k s GLU 83 N -0.65 2.08 0.19 1.54 2.02 -1.26 -1.82 118.70 120.79 1a5k s GLU 83 Ca -0.07 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.71 1a5k s GLU 83 Cb -0.02 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.96 1a5k s GLU 83 CO 0.07 0.50 0.46 0.00 0.02 0.00 0.00 175.26 176.31 1a5k s ALA 84 N -1.23 -0.70 -0.55 5.21 0.00 -1.13 -4.97 121.76 118.40 1a5k s ALA 84 Ca 0.21 -0.40 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 1a5k s ALA 84 Cb -0.11 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1a5k s ALA 84 CO 0.13 -0.77 0.99 0.99 0.00 0.00 0.00 175.76 177.11 1a5k s THR 85 N -3.90 4.31 0.78 0.00 2.01 -1.26 -2.19 115.64 115.39 1a5k s THR 85 Ca 0.11 0.43 -0.07 0.00 0.31 0.00 0.00 61.69 62.47 1a5k s THR 85 Cb 0.00 -4.58 0.13 0.00 0.01 0.00 0.00 72.50 68.06 1a5k s THR 85 CO -0.02 -1.15 1.09 -0.36 -0.69 0.00 0.00 174.62 173.49 1a5k s PHE 86 N 4.16 2.01 0.58 4.92 0.40 0.07 -4.35 117.98 125.76 1a5k s PHE 86 Ca 0.33 0.11 0.32 0.00 -0.60 0.00 0.00 56.93 57.09 1a5k s PHE 86 Cb -0.11 -3.38 1.87 0.00 0.51 0.00 0.00 43.02 41.91 1a5k s PHE 86 CO 0.21 -1.87 2.25 -1.35 0.70 0.00 0.00 175.22 175.16 1a5k h PRO 87 N -0.86 0.00 -0.88 0.24 0.11 -1.92 -2.03 132.00 126.66 1a5k h PRO 87 Ca -0.41 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.13 1a5k h PRO 87 Cb 1.27 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.09 1a5k h PRO 87 CO 0.46 0.01 0.44 -0.40 -0.21 0.00 0.00 178.00 178.30 1a5k n ASP 88 N -3.72 5.83 0.00 -2.05 5.75 -1.26 -5.06 116.55 116.04 1a5k n ASP 88 Ca -0.03 -3.75 0.00 0.00 -0.01 0.00 0.00 54.79 51.00 1a5k n ASP 88 Cb 0.10 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.38 1a5k n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a5k n GLY 89 N -0.96 -2.79 3.76 6.12 0.00 -0.76 -4.94 105.19 105.62 1a5k n GLY 89 Ca 0.56 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1a5k n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5k s SER 90 N -2.09 6.85 0.05 1.61 0.01 -1.26 -0.75 113.70 118.12 1a5k s SER 90 Ca 0.00 2.58 -0.05 0.00 1.31 0.00 0.00 55.95 59.79 1a5k s SER 90 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1a5k s SER 90 CO 0.00 -0.49 0.08 -0.54 0.41 0.00 0.00 173.24 172.70 1a5k s LYS 91 N -1.34 0.64 -0.19 12.44 -0.14 -0.93 -4.91 119.74 125.31 1a5k s LYS 91 Ca 0.50 -0.92 -0.08 0.00 -1.36 0.00 0.00 55.97 54.11 1a5k s LYS 91 Cb -0.38 0.25 -0.04 0.00 -1.68 0.00 0.00 37.83 35.97 1a5k s LYS 91 CO 0.48 -0.16 0.09 -1.17 -0.76 0.00 0.00 175.35 173.82 1a5k s LEU 92 N -2.48 3.91 -0.21 3.17 2.96 -1.26 -2.82 118.68 121.94 1a5k s LEU 92 Ca 0.00 0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1a5k s LEU 92 Cb 0.02 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 1a5k s LEU 92 CO -0.07 0.16 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.39 1a5k s VAL 93 N 0.49 3.50 -0.20 1.68 1.01 -0.76 -5.01 120.40 121.11 1a5k s VAL 93 Ca 0.05 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1a5k s VAL 93 Cb -0.12 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1a5k s VAL 93 CO 0.00 0.43 -0.09 -0.89 0.00 0.00 0.00 175.10 174.55 1a5k s THR 94 N 1.31 2.98 -0.27 3.92 2.01 -1.26 -2.54 115.64 121.78 1a5k s THR 94 Ca 0.04 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 1a5k s THR 94 Cb -0.14 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1a5k s THR 94 CO -0.01 0.46 0.01 -0.69 -0.69 0.00 0.00 174.62 173.70 1a5k s VAL 95 N 1.36 3.46 -0.00 3.82 1.01 -0.01 -4.72 120.40 125.31 1a5k s VAL 95 Ca 0.05 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 1a5k s VAL 95 Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1a5k s VAL 95 CO -0.06 0.15 0.57 -1.00 0.00 0.00 0.00 175.10 174.76 1a5k s HIS 96 N 1.42 3.69 -1.14 5.22 3.76 -1.26 -0.96 115.29 126.02 1a5k s HIS 96 Ca 0.02 1.17 -0.25 0.00 -0.15 0.00 0.00 55.06 55.84 1a5k s HIS 96 Cb -0.17 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 30.97 1a5k s HIS 96 CO -0.01 0.39 0.73 0.09 -0.85 0.00 0.00 174.74 175.10 1a5k n ASN 97 N 2.59 -4.84 0.18 1.40 3.02 0.37 -4.86 115.26 113.12 1a5k n ASN 97 Ca -0.08 -1.12 0.07 0.00 -0.03 0.00 0.00 54.58 53.42 1a5k n ASN 97 Cb 0.51 -2.54 0.57 0.00 -0.61 0.00 0.00 39.78 37.71 1a5k n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1a5k h PRO 98 N -2.07 0.17 -4.94 3.52 0.13 -1.77 -3.40 132.00 123.64 1a5k h PRO 98 Ca -0.67 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 63.79 1a5k h PRO 98 Cb 1.38 -0.04 -0.24 0.00 0.13 0.00 0.00 31.00 32.23 1a5k h PRO 98 CO 0.49 0.11 -0.64 0.42 -0.23 0.00 0.00 178.00 178.14 1a5k s ILE 99 N -5.20 4.08 0.00 -3.56 1.01 -1.26 -4.31 121.20 111.96 1a5k s ILE 99 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1a5k s ILE 99 Cb 0.17 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.72 1a5k s ILE 99 CO 0.69 0.33 0.32 -0.38 0.00 0.00 0.00 174.94 175.89