#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5n n GLU 2 N 0.00 -3.49 -2.20 0.03 4.71 -1.26 -4.88 120.64 113.54 1a5n n GLU 2 Ca 0.00 0.54 -0.42 0.00 -0.01 0.00 0.00 57.16 57.27 1a5n n GLU 2 Cb 0.00 -4.81 -0.03 0.00 -1.01 0.00 0.00 31.44 25.59 1a5n n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1a5n s LEU 3 N -6.62 4.32 0.79 -4.62 1.43 -1.26 -5.02 118.68 107.70 1a5n s LEU 3 Ca 0.14 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1a5n s LEU 3 Cb -0.04 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1a5n s LEU 3 CO 0.84 -0.74 1.16 0.42 0.23 0.00 0.00 176.35 178.26 1a5n s THR 4 N 2.48 2.24 0.24 5.49 -4.23 -1.26 -4.90 115.64 115.70 1a5n s THR 4 Ca 0.64 0.07 -0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1a5n s THR 4 Cb -0.32 -3.08 0.22 0.00 1.34 0.00 0.00 72.50 70.67 1a5n s THR 4 CO 0.27 -0.10 1.86 -0.65 -0.54 0.00 0.00 174.62 175.46 1a5n h PRO 5 N -0.98 0.99 -0.21 3.99 0.11 -2.00 -2.67 132.00 131.23 1a5n h PRO 5 Ca -0.46 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1a5n h PRO 5 Cb 1.32 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1a5n h PRO 5 CO 0.66 0.66 -0.10 0.07 -0.21 0.00 0.00 178.00 179.07 1a5n h ARG 6 N 1.02 0.33 -0.37 1.05 0.11 -1.99 0.71 114.38 115.25 1a5n h ARG 6 Ca 0.38 -0.08 -0.16 0.00 0.10 0.00 0.00 59.98 60.22 1a5n h ARG 6 Cb 0.13 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1a5n h ARG 6 CO -0.16 0.45 -0.37 0.93 0.10 0.00 0.00 179.97 180.92 1a5n h GLU 7 N 0.32 0.91 -0.30 0.08 5.08 -1.86 -1.68 114.58 117.13 1a5n h GLU 7 Ca 0.06 -0.48 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 1a5n h GLU 7 Cb 0.39 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1a5n h GLU 7 CO 0.02 1.13 -0.31 0.87 -1.00 0.00 0.00 179.01 179.72 1a5n h LYS 8 N 0.73 0.63 -0.63 2.33 1.57 -1.13 -2.66 116.57 117.42 1a5n h LYS 8 Ca 0.06 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1a5n h LYS 8 Cb 0.97 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1a5n h LYS 8 CO 0.09 0.87 0.21 0.22 -0.57 0.00 0.00 179.45 180.27 1a5n h ASP 9 N 0.54 0.91 0.38 0.86 3.58 -0.70 -2.20 116.42 119.79 1a5n h ASP 9 Ca 0.06 -0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 1a5n h ASP 9 Cb 0.80 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1a5n h ASP 9 CO 0.07 0.87 -0.13 0.11 -2.88 0.00 0.00 179.24 177.27 1a5n h LYS 10 N 0.90 0.00 0.00 0.28 1.79 -1.08 -1.11 116.57 117.34 1a5n h LYS 10 Ca 0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1a5n h LYS 10 Cb 0.28 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1a5n h LYS 10 CO -0.01 0.13 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.28 1a5n h LEU 11 N 0.00 0.00 -0.23 2.94 3.38 -1.05 -1.03 115.31 119.31 1a5n h LEU 11 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1a5n h LEU 11 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1a5n h LEU 11 CO 0.02 0.15 -0.41 0.25 0.09 0.00 0.00 178.44 178.53 1a5n h LEU 12 N 0.00 0.77 -0.22 1.67 6.46 -1.20 -2.13 115.31 120.66 1a5n h LEU 12 Ca -0.00 -0.53 -0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1a5n h LEU 12 Cb 0.36 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1a5n h LEU 12 CO 0.02 1.16 0.06 0.25 -0.62 0.00 0.00 178.44 179.31 1a5n h LEU 13 N 0.41 0.32 -0.34 2.25 5.85 -1.30 -0.74 115.31 121.76 1a5n h LEU 13 Ca 0.01 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1a5n h LEU 13 Cb 1.01 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1a5n h LEU 13 CO 0.09 0.45 0.01 0.15 -0.34 0.00 0.00 178.44 178.80 1a5n h PHE 14 N 0.18 0.00 -0.33 1.25 3.57 -1.24 -0.33 116.94 120.05 1a5n h PHE 14 Ca 0.07 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1a5n h PHE 14 Cb 0.25 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1a5n h PHE 14 CO 0.00 -0.05 -0.17 1.15 -2.23 0.00 0.00 178.31 177.01 1a5n h THR 15 N 0.11 1.25 -0.22 4.41 2.02 -1.26 -1.84 112.91 117.39 1a5n h THR 15 Ca 0.16 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.08 1a5n h THR 15 Cb 0.22 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1a5n h THR 15 CO -0.26 0.39 -0.21 0.00 0.37 0.00 0.00 175.52 175.80 1a5n h ALA 16 N 1.27 1.25 -0.10 6.16 0.00 -0.41 -2.40 119.26 125.02 1a5n h ALA 16 Ca 0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1a5n h ALA 16 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1a5n h ALA 16 CO 0.04 0.49 -0.54 0.00 0.00 0.00 0.00 179.25 179.25 1a5n h ALA 17 N 1.44 0.90 -0.33 0.00 0.00 -0.60 -2.86 119.26 117.82 1a5n h ALA 17 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1a5n h ALA 17 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1a5n h ALA 17 CO 0.04 0.68 0.04 -0.07 0.00 0.00 0.00 179.25 179.94 1a5n h LEU 18 N 0.22 0.45 0.26 0.00 3.38 -0.84 0.03 115.31 118.82 1a5n h LEU 18 Ca 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1a5n h LEU 18 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1a5n h LEU 18 CO 0.09 0.49 -0.12 0.58 0.09 0.00 0.00 178.44 179.56 1a5n h VAL 19 N 0.48 0.79 -0.47 1.22 2.07 -1.34 -2.72 116.25 116.28 1a5n h VAL 19 Ca 0.11 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a5n h VAL 19 Cb 0.26 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1a5n h VAL 19 CO 0.00 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.97 1a5n h ALA 20 N 0.09 0.60 -0.95 1.67 0.00 -1.29 -2.57 119.26 116.82 1a5n h ALA 20 Ca -0.04 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1a5n h ALA 20 Cb 0.42 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1a5n h ALA 20 CO 0.06 0.10 0.58 1.49 0.00 0.00 0.00 179.25 181.48 1a5n h GLU 21 N 0.63 0.92 -0.34 0.00 4.81 -1.03 -0.09 114.58 119.48 1a5n h GLU 21 Ca 0.17 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 1a5n h GLU 21 Cb 0.01 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1a5n h GLU 21 CO -0.03 0.61 -0.46 0.00 -0.73 0.00 0.00 179.01 178.40 1a5n h ARG 22 N 0.95 0.92 -0.52 1.92 3.08 -1.22 -2.70 114.38 116.81 1a5n h ARG 22 Ca 0.46 -0.53 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1a5n h ARG 22 Cb 0.42 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1a5n h ARG 22 CO -0.25 1.17 -0.11 0.00 -1.07 0.00 0.00 179.97 179.71 1a5n h ARG 23 N 0.73 0.98 -0.77 0.04 3.08 -0.98 -2.62 114.38 114.84 1a5n h ARG 23 Ca 0.04 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 1a5n h ARG 23 Cb 1.06 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1a5n h ARG 23 CO 0.11 1.03 0.35 1.25 -1.07 0.00 0.00 179.97 181.64 1a5n h LEU 24 N 0.87 1.01 -1.41 3.04 5.85 -1.03 -1.89 115.31 121.75 1a5n h LEU 24 Ca 0.14 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1a5n h LEU 24 Cb 0.67 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1a5n h LEU 24 CO 0.05 0.86 0.06 0.00 -0.34 0.00 0.00 178.44 179.06 1a5n h ALA 25 N 1.29 1.53 0.00 1.25 0.00 -1.19 -0.51 119.26 121.63 1a5n h ALA 25 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a5n h ALA 25 Cb 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a5n h ALA 25 CO -0.03 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1a5n h ARG 26 N 0.44 0.00 0.00 0.00 3.08 -1.00 -3.47 114.38 113.44 1a5n h ARG 26 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1a5n h ARG 26 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1a5n h ARG 26 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1a5n n GLY 27 N 0.46 1.27 3.88 0.04 0.00 -0.20 -5.09 105.19 105.55 1a5n n GLY 27 Ca 0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1a5n n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5n s LEU 28 N 0.00 3.91 -0.34 0.99 1.43 -0.97 -5.02 118.68 118.68 1a5n s LEU 28 Ca 0.00 1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.90 1a5n s LEU 28 Cb 0.00 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.32 1a5n s LEU 28 CO 0.00 -0.33 0.84 -0.54 0.23 0.00 0.00 176.35 176.55 1a5n s LYS 29 N -3.69 3.87 0.61 1.70 1.02 -1.26 -4.57 119.74 117.43 1a5n s LYS 29 Ca 0.50 0.53 -0.18 0.00 0.02 0.00 0.00 55.97 56.83 1a5n s LYS 29 Cb -0.10 -3.77 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 1a5n s LYS 29 CO 0.30 -0.81 1.22 -0.51 -0.92 0.00 0.00 175.35 174.63 1a5n s LEU 30 N 3.17 3.63 0.00 3.17 1.43 -0.28 -4.31 118.68 125.49 1a5n s LEU 30 Ca 0.34 2.42 0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1a5n s LEU 30 Cb -0.13 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.51 1a5n s LEU 30 CO 0.16 -1.69 0.20 -0.46 0.23 0.00 0.00 176.35 174.78 1a5n n ASN 31 N -1.70 0.38 0.21 2.29 0.23 -1.26 -0.64 115.26 114.77 1a5n n ASN 31 Ca 0.14 -1.29 -0.10 0.00 -0.53 0.00 0.00 54.58 52.80 1a5n n ASN 31 Cb 0.49 -0.12 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1a5n n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1a5n h TYR 32 N -0.22 -0.67 -0.29 -2.53 3.20 -1.96 -1.12 116.97 113.38 1a5n h TYR 32 Ca -0.07 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.83 1a5n h TYR 32 Cb 0.27 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1a5n h TYR 32 CO 0.00 -0.37 0.19 -1.00 -1.64 0.00 0.00 178.16 175.35 1a5n h PRO 33 N -0.59 0.27 -0.23 1.82 0.13 -2.00 -2.31 132.00 129.09 1a5n h PRO 33 Ca -0.05 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1a5n h PRO 33 Cb 0.48 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1a5n h PRO 33 CO 0.04 0.18 0.05 0.93 -0.23 0.00 0.00 178.00 178.97 1a5n h GLU 34 N 0.28 0.37 -0.04 0.86 5.08 -1.91 -1.56 114.58 117.66 1a5n h GLU 34 Ca 0.12 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1a5n h GLU 34 Cb 0.13 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1a5n h GLU 34 CO -0.02 0.50 0.02 0.77 -1.00 0.00 0.00 179.01 179.27 1a5n h SER 35 N 0.19 0.02 -0.66 1.42 0.02 -0.68 -0.75 113.55 113.11 1a5n h SER 35 Ca 0.07 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1a5n h SER 35 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1a5n h SER 35 CO 0.00 0.02 0.40 0.58 -1.14 0.00 0.00 176.83 176.69 1a5n h VAL 36 N 0.04 1.05 -0.47 2.27 2.07 -1.40 -1.27 116.25 118.54 1a5n h VAL 36 Ca 0.02 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1a5n h VAL 36 Cb 0.01 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1a5n h VAL 36 CO -0.02 0.14 0.14 0.00 0.02 0.00 0.00 177.57 177.85 1a5n h ALA 37 N 1.30 0.62 -0.16 1.67 0.00 -1.03 -1.70 119.26 119.96 1a5n h ALA 37 Ca 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a5n h ALA 37 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a5n h ALA 37 CO -0.13 0.28 0.01 1.25 0.00 0.00 0.00 179.25 180.67 1a5n h LEU 38 N 0.63 0.26 -0.70 0.00 5.85 -0.73 -1.78 115.31 118.83 1a5n h LEU 38 Ca 0.15 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1a5n h LEU 38 Cb 0.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1a5n h LEU 38 CO -0.00 0.49 -0.30 0.40 -0.34 0.00 0.00 178.44 178.68 1a5n h ILE 39 N 0.03 1.28 -0.31 4.05 2.04 -1.28 -2.79 117.51 120.53 1a5n h ILE 39 Ca 0.05 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.45 1a5n h ILE 39 Cb 0.35 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1a5n h ILE 39 CO 0.01 0.46 0.07 0.28 0.00 0.00 0.00 178.15 178.97 1a5n h SER 40 N 0.57 0.48 -0.74 1.72 0.02 -1.26 -2.72 113.55 111.62 1a5n h SER 40 Ca 0.07 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1a5n h SER 40 Cb 0.80 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1a5n h SER 40 CO 0.07 0.59 0.38 0.00 -1.14 0.00 0.00 176.83 176.73 1a5n h ALA 41 N 0.90 1.27 -0.05 3.77 0.00 -1.32 -2.41 119.26 121.42 1a5n h ALA 41 Ca 0.10 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a5n h ALA 41 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1a5n h ALA 41 CO 0.00 0.58 -0.14 0.35 0.00 0.00 0.00 179.25 180.04 1a5n h PHE 42 N 1.06 -0.36 -0.69 0.00 3.57 -1.36 -2.11 116.94 117.05 1a5n h PHE 42 Ca 0.26 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1a5n h PHE 42 Cb 0.07 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1a5n h PHE 42 CO 0.01 -0.21 0.44 0.82 -2.23 0.00 0.00 178.31 177.14 1a5n h ILE 43 N -0.21 1.11 -0.75 1.41 2.04 -1.16 -1.31 117.51 118.64 1a5n h ILE 43 Ca 0.06 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1a5n h ILE 43 Cb 0.30 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1a5n h ILE 43 CO -0.17 0.16 0.48 0.24 0.00 0.00 0.00 178.15 178.86 1a5n h MET 44 N 0.86 0.93 0.00 2.37 2.86 -1.12 0.03 114.93 120.87 1a5n h MET 44 Ca 0.27 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1a5n h MET 44 Cb -0.01 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1a5n h MET 44 CO -0.10 0.62 -0.21 0.93 1.06 0.00 0.00 176.91 179.22 1a5n h GLU 45 N 0.96 0.00 -0.20 1.72 4.39 -0.96 -1.83 114.58 118.67 1a5n h GLU 45 Ca 0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1a5n h GLU 45 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1a5n h GLU 45 CO -0.09 0.21 -0.02 0.78 -1.16 0.00 0.00 179.01 178.72 1a5n h GLY 46 N 1.60 0.40 1.37 -3.84 0.00 0.13 -2.11 103.07 100.62 1a5n h GLY 46 Ca -0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 1a5n h GLY 46 CO 0.03 0.29 0.08 0.00 0.00 0.00 0.00 176.54 176.93 1a5n h ALA 47 N 0.76 1.20 -0.73 3.60 0.00 -0.83 -2.20 119.26 121.06 1a5n h ALA 47 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1a5n h ALA 47 Cb 0.44 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1a5n h ALA 47 CO 0.01 0.54 0.47 -0.09 0.00 0.00 0.00 179.25 180.19 1a5n h ARG 48 N 0.75 0.97 0.00 0.00 9.65 -1.19 -1.27 114.38 123.28 1a5n h ARG 48 Ca 0.16 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1a5n h ARG 48 Cb 0.34 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1a5n h ARG 48 CO 0.01 0.65 0.00 -0.44 2.80 0.00 0.00 179.97 182.99 1a5n h ASP 49 N 0.99 0.00 0.00 -3.80 3.32 -0.91 -3.47 116.42 112.55 1a5n h ASP 49 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1a5n h ASP 49 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1a5n h ASP 49 CO -0.06 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.07 1a5n n GLY 50 N -0.29 0.93 3.81 2.75 0.00 -0.48 -5.08 105.19 106.82 1a5n n GLY 50 Ca -0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1a5n n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5n s LYS 51 N -0.37 3.08 0.59 1.61 1.02 -0.87 -4.93 119.74 119.86 1a5n s LYS 51 Ca 0.00 1.11 -0.08 0.00 0.02 0.00 0.00 55.97 57.02 1a5n s LYS 51 Cb 0.00 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1a5n s LYS 51 CO 0.00 -1.00 0.93 -1.54 -0.92 0.00 0.00 175.35 172.83 1a5n s SER 52 N -3.22 5.89 0.13 2.83 1.04 -1.26 -4.61 113.70 114.50 1a5n s SER 52 Ca 0.61 1.01 -0.20 0.00 0.48 0.00 0.00 55.95 57.85 1a5n s SER 52 Cb -0.15 -2.07 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1a5n s SER 52 CO 0.45 -0.94 1.70 0.58 0.98 0.00 0.00 173.24 176.01 1a5n h VAL 53 N -0.19 0.77 -0.88 5.02 2.07 -1.96 -2.58 116.25 118.50 1a5n h VAL 53 Ca -0.45 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.20 1a5n h VAL 53 Cb 1.23 0.77 -0.09 0.00 -1.52 0.00 0.00 31.29 31.68 1a5n h VAL 53 CO 0.62 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.70 1a5n h ALA 54 N 1.18 1.33 0.06 1.67 0.00 -1.97 -0.97 119.26 120.56 1a5n h ALA 54 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1a5n h ALA 54 Cb 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a5n h ALA 54 CO -0.22 0.01 -0.03 0.77 0.00 0.00 0.00 179.25 179.78 1a5n h SER 55 N 0.74 -0.07 -0.73 0.00 0.02 -1.86 -3.15 113.55 108.49 1a5n h SER 55 Ca 0.46 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1a5n h SER 55 Cb 0.57 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1a5n h SER 55 CO -0.32 0.16 0.42 -0.07 -1.14 0.00 0.00 176.83 175.88 1a5n h LEU 56 N -0.30 0.91 -2.18 5.07 3.38 -1.06 -0.09 115.31 121.04 1a5n h LEU 56 Ca -0.01 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1a5n h LEU 56 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1a5n h LEU 56 CO 0.01 0.72 0.21 0.24 0.09 0.00 0.00 178.44 179.71 1a5n h MET 57 N 1.03 0.00 0.00 1.13 2.86 -1.16 0.18 114.93 118.98 1a5n h MET 57 Ca 0.27 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.80 1a5n h MET 57 Cb -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1a5n h MET 57 CO -0.05 0.00 -0.88 -1.91 1.06 0.00 0.00 176.91 175.13 1a5n n GLU 58 N -3.93 0.50 0.16 1.72 4.07 -0.59 -4.34 120.64 118.23 1a5n n GLU 58 Ca 0.02 0.54 0.16 0.00 -0.06 0.00 0.00 57.16 57.82 1a5n n GLU 58 Cb 0.34 -1.71 0.75 0.00 -0.06 0.00 0.00 31.44 30.77 1a5n n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1a5n h GLU 59 N -1.00 0.00 0.00 5.31 5.08 -0.74 -1.08 114.58 122.15 1a5n h GLU 59 Ca -0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1a5n h GLU 59 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1a5n h GLU 59 CO -0.10 0.00 -0.10 0.78 -1.00 0.00 0.00 179.01 178.60 1a5n h GLY 60 N 0.00 0.00 0.21 -3.84 0.00 -0.84 -1.72 103.07 96.88 1a5n h GLY 60 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1a5n h GLY 60 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1a5n n ARG 61 N -3.73 1.29 -0.60 4.80 1.74 -0.41 -3.69 116.66 116.07 1a5n n ARG 61 Ca -0.02 -0.43 0.06 0.00 -0.77 0.00 0.00 57.85 56.69 1a5n n ARG 61 Cb 0.20 -1.42 0.18 0.00 -1.02 0.00 0.00 32.46 30.40 1a5n n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1a5n n HIS 62 N -0.42 0.00 -0.07 -1.55 8.25 -0.65 -4.68 115.22 116.10 1a5n n HIS 62 Ca 0.19 -1.33 -0.22 0.00 -0.26 0.00 0.00 57.72 56.10 1a5n n HIS 62 Cb 0.20 -0.23 -0.12 0.00 1.12 0.00 0.00 29.99 30.96 1a5n n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1a5n n VAL 63 N -1.01 1.62 -4.33 1.59 0.31 -1.24 -4.95 118.33 110.31 1a5n n VAL 63 Ca 0.17 -0.36 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 1a5n n VAL 63 Cb 0.72 -1.85 -0.13 0.00 -0.91 0.00 0.00 33.84 31.67 1a5n n VAL 63 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a5n s LEU 64 N -7.39 2.18 0.38 7.52 1.43 -1.26 -5.09 118.68 116.44 1a5n s LEU 64 Ca -0.29 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 1a5n s LEU 64 Cb 0.08 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 1a5n s LEU 64 CO 0.64 0.02 0.19 0.42 0.23 0.00 0.00 176.35 177.86 1a5n s THR 65 N -0.88 2.73 0.59 5.49 -4.23 -1.26 -4.28 115.64 113.80 1a5n s THR 65 Ca 0.01 -1.63 0.29 0.00 -1.18 0.00 0.00 61.69 59.17 1a5n s THR 65 Cb -0.08 -2.99 0.36 0.00 1.34 0.00 0.00 72.50 71.13 1a5n s THR 65 CO 0.01 -0.09 2.14 -0.09 -0.54 0.00 0.00 174.62 176.05 1a5n h ARG 66 N 1.42 0.00 -0.07 3.99 2.43 -1.89 -0.91 114.38 119.34 1a5n h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1a5n h ARG 66 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1a5n h ARG 66 CO 0.64 0.00 0.00 -0.85 -1.51 0.00 0.00 179.97 178.25 1a5n n GLU 67 N -3.85 1.62 0.00 0.20 0.00 -1.26 -3.67 120.64 113.68 1a5n n GLU 67 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 57.16 56.32 1a5n n GLU 67 Cb 0.25 -1.44 -0.01 0.00 0.00 0.00 0.00 31.44 30.25 1a5n n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1a5n n GLN 68 N 0.12 1.79 -4.41 3.44 6.02 -0.35 -4.97 117.38 119.02 1a5n n GLN 68 Ca 0.18 -0.72 -0.23 0.00 -0.01 0.00 0.00 57.00 56.22 1a5n n GLN 68 Cb 0.32 -1.23 -0.11 0.00 1.02 0.00 0.00 30.24 30.24 1a5n n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1a5n s VAL 69 N -1.80 2.17 0.92 5.09 -7.23 -1.23 -1.13 120.40 117.20 1a5n s VAL 69 Ca 0.12 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 1a5n s VAL 69 Cb 0.12 -2.12 0.15 0.00 0.56 0.00 0.00 36.38 35.09 1a5n s VAL 69 CO 0.38 -0.35 1.13 -0.04 -0.31 0.00 0.00 175.10 175.90 1a5n s MET 70 N -3.19 0.96 0.29 4.82 -1.94 0.19 -4.78 119.30 115.65 1a5n s MET 70 Ca 0.23 1.41 -0.30 0.00 -1.71 0.00 0.00 55.69 55.33 1a5n s MET 70 Cb -0.05 -1.73 -0.11 0.00 2.01 0.00 0.00 34.83 34.95 1a5n s MET 70 CO 0.11 -2.63 1.49 -2.00 -0.01 0.00 0.00 175.02 171.98 1a5n s GLU 71 N -4.67 4.20 0.00 2.03 2.12 -1.26 -2.26 118.70 118.86 1a5n s GLU 71 Ca 0.66 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.43 1a5n s GLU 71 Cb -0.22 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.12 1a5n s GLU 71 CO 0.58 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 1a5n n GLY 72 N 1.75 3.04 0.27 -1.50 0.00 -1.26 -4.90 105.19 102.58 1a5n n GLY 72 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1a5n n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1a5n h VAL 73 N 0.00 1.18 -0.93 1.61 2.07 -1.81 -2.48 116.25 115.90 1a5n h VAL 73 Ca 0.00 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1a5n h VAL 73 Cb 0.00 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1a5n h VAL 73 CO 0.00 0.19 0.60 -0.65 0.02 0.00 0.00 177.57 177.73 1a5n h PRO 74 N 0.91 0.98 0.00 1.57 0.11 -1.91 -1.18 132.00 132.48 1a5n h PRO 74 Ca 0.24 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 1a5n h PRO 74 Cb -0.06 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.83 1a5n h PRO 74 CO -0.05 0.65 -0.15 0.93 -0.21 0.00 0.00 178.00 179.17 1a5n h GLU 75 N 1.01 0.00 0.00 1.05 3.07 -1.86 -2.95 114.58 114.90 1a5n h GLU 75 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1a5n h GLU 75 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1a5n h GLU 75 CO -0.17 0.15 0.00 -1.33 -1.40 0.00 0.00 179.01 176.26 1a5n n MET 76 N -3.20 0.15 -3.58 2.33 2.81 -0.46 -4.33 117.12 110.84 1a5n n MET 76 Ca 0.02 0.03 -0.27 0.00 -1.81 0.00 0.00 57.70 55.66 1a5n n MET 76 Cb 0.48 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.39 1a5n n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1a5n n ILE 77 N -1.42 0.60 0.31 2.02 5.41 -1.12 -4.94 119.36 120.22 1a5n n ILE 77 Ca 0.09 -4.38 0.19 0.00 1.00 0.00 0.00 62.75 59.64 1a5n n ILE 77 Cb 0.28 -1.98 1.02 0.00 -0.71 0.00 0.00 39.64 38.25 1a5n n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1a5n h PRO 78 N 5.08 0.00 -1.93 0.38 0.13 -1.76 -3.40 132.00 130.51 1a5n h PRO 78 Ca 0.18 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.51 1a5n h PRO 78 Cb 0.80 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.79 1a5n h PRO 78 CO 0.60 0.02 0.64 0.16 -0.23 0.00 0.00 178.00 179.18 1a5n s ASP 79 N -5.66 -0.21 -0.02 1.44 1.47 -1.26 -0.12 116.67 112.31 1a5n s ASP 79 Ca -0.04 -0.10 0.03 0.00 1.18 0.00 0.00 52.55 53.61 1a5n s ASP 79 Cb 0.13 0.30 -0.00 0.00 -0.34 0.00 0.00 42.92 43.01 1a5n s ASP 79 CO 0.49 -0.52 -0.09 -0.63 0.68 0.00 0.00 175.17 175.11 1a5n s ILE 80 N -2.84 0.73 0.00 2.11 1.01 0.03 -4.93 121.20 117.31 1a5n s ILE 80 Ca 0.09 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.42 1a5n s ILE 80 Cb -0.00 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1a5n s ILE 80 CO -0.05 0.22 -0.13 -1.10 0.00 0.00 0.00 174.94 173.88 1a5n s GLN 81 N 0.01 1.02 -0.11 2.79 -0.21 -1.26 -0.81 119.66 121.09 1a5n s GLN 81 Ca 0.00 -0.56 -0.29 0.00 0.02 0.00 0.00 55.36 54.53 1a5n s GLN 81 Cb -0.06 -1.00 0.08 0.00 1.00 0.00 0.00 33.01 33.02 1a5n s GLN 81 CO 0.00 0.27 0.72 0.54 -2.12 0.00 0.00 175.29 174.70 1a5n s VAL 82 N -0.47 0.00 0.16 1.09 0.11 -1.01 -5.00 120.40 115.28 1a5n s VAL 82 Ca 0.04 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1a5n s VAL 82 Cb -0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1a5n s VAL 82 CO 0.00 0.00 -0.12 -1.61 -3.33 0.00 0.00 175.10 170.04 1a5n s GLU 83 N -0.79 2.00 0.19 1.54 2.02 -1.26 -1.57 118.70 120.83 1a5n s GLU 83 Ca -0.08 -1.24 -0.19 0.00 0.02 0.00 0.00 54.97 53.48 1a5n s GLU 83 Cb -0.01 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.10 1a5n s GLU 83 CO 0.07 0.45 0.56 0.00 0.02 0.00 0.00 175.26 176.36 1a5n s ALA 84 N -1.56 -1.16 -0.54 5.21 0.00 -1.18 -4.94 121.76 117.59 1a5n s ALA 84 Ca 0.23 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 1a5n s ALA 84 Cb -0.09 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1a5n s ALA 84 CO 0.14 -0.81 0.99 0.99 0.00 0.00 0.00 175.76 177.07 1a5n s THR 85 N -3.84 4.33 0.71 0.00 2.01 -1.26 -2.61 115.64 114.98 1a5n s THR 85 Ca 0.06 0.51 -0.06 0.00 0.31 0.00 0.00 61.69 62.51 1a5n s THR 85 Cb -0.01 -4.56 0.08 0.00 0.01 0.00 0.00 72.50 68.01 1a5n s THR 85 CO -0.05 -1.11 1.01 -0.36 -0.69 0.00 0.00 174.62 173.42 1a5n s PHE 86 N 4.12 2.65 0.55 4.92 0.40 0.05 -4.38 117.98 126.29 1a5n s PHE 86 Ca 0.34 0.30 0.25 0.00 -0.60 0.00 0.00 56.93 57.23 1a5n s PHE 86 Cb -0.11 -3.20 1.45 0.00 0.51 0.00 0.00 43.02 41.67 1a5n s PHE 86 CO 0.22 -1.48 2.02 -1.35 0.70 0.00 0.00 175.22 175.33 1a5n h PRO 87 N -0.60 0.00 -0.94 0.24 0.11 -1.92 -0.79 132.00 128.10 1a5n h PRO 87 Ca -0.43 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.04 1a5n h PRO 87 Cb 1.30 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.10 1a5n h PRO 87 CO 0.55 0.00 0.55 -0.40 -0.21 0.00 0.00 178.00 178.49 1a5n n ASP 88 N -4.21 6.96 0.00 -2.05 5.75 -1.26 -5.06 116.55 116.67 1a5n n ASP 88 Ca 0.07 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.07 1a5n n ASP 88 Cb 0.51 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1a5n n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a5n n GLY 89 N -0.90 -2.56 3.74 6.12 0.00 -0.30 -4.93 105.19 106.37 1a5n n GLY 89 Ca 0.59 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1a5n n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5n s SER 90 N -2.38 6.82 0.03 1.61 0.01 -1.26 -0.77 113.70 117.76 1a5n s SER 90 Ca 0.00 2.51 -0.02 0.00 1.31 0.00 0.00 55.95 59.74 1a5n s SER 90 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1a5n s SER 90 CO 0.00 -0.57 0.02 -0.54 0.41 0.00 0.00 173.24 172.56 1a5n s LYS 91 N -0.40 0.49 -0.16 12.44 -0.14 -1.07 -4.92 119.74 125.96 1a5n s LYS 91 Ca 0.56 -0.81 -0.10 0.00 -1.36 0.00 0.00 55.97 54.27 1a5n s LYS 91 Cb -0.38 0.18 -0.05 0.00 -1.68 0.00 0.00 37.83 35.90 1a5n s LYS 91 CO 0.41 -0.10 0.16 -1.17 -0.76 0.00 0.00 175.35 173.89 1a5n s LEU 92 N -2.05 4.28 -0.14 3.17 2.96 -1.26 -3.12 118.68 122.51 1a5n s LEU 92 Ca -0.06 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1a5n s LEU 92 Cb -0.02 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 1a5n s LEU 92 CO -0.04 0.25 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.41 1a5n s VAL 93 N -0.10 2.91 -0.16 1.68 1.01 -0.61 -5.00 120.40 120.12 1a5n s VAL 93 Ca 0.12 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1a5n s VAL 93 Cb -0.12 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1a5n s VAL 93 CO 0.01 0.52 -0.20 -0.89 0.00 0.00 0.00 175.10 174.53 1a5n s THR 94 N 0.58 2.10 -0.29 3.92 2.01 -1.26 -2.41 115.64 120.29 1a5n s THR 94 Ca -0.08 -0.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 1a5n s THR 94 Cb -0.16 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.51 1a5n s THR 94 CO 0.03 0.54 0.05 -0.69 -0.69 0.00 0.00 174.62 173.86 1a5n s VAL 95 N 1.09 3.63 0.03 3.82 1.01 0.01 -4.74 120.40 125.25 1a5n s VAL 95 Ca -0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1a5n s VAL 95 Cb -0.14 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 1a5n s VAL 95 CO -0.08 0.07 0.65 -1.00 0.00 0.00 0.00 175.10 174.74 1a5n s HIS 96 N 1.43 3.72 -1.04 5.22 3.76 -1.26 -0.79 115.29 126.33 1a5n s HIS 96 Ca 0.01 1.31 -0.18 0.00 -0.15 0.00 0.00 55.06 56.05 1a5n s HIS 96 Cb -0.17 -2.67 0.01 0.00 1.11 0.00 0.00 32.58 30.86 1a5n s HIS 96 CO 0.01 0.36 0.69 0.09 -0.85 0.00 0.00 174.74 175.04 1a5n n ASN 97 N 2.61 -4.99 -0.15 1.40 3.02 0.83 -4.85 115.26 113.13 1a5n n ASN 97 Ca -0.06 -1.02 0.03 0.00 -0.03 0.00 0.00 54.58 53.50 1a5n n ASN 97 Cb 0.51 -2.44 0.33 0.00 -0.61 0.00 0.00 39.78 37.57 1a5n n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1a5n h PRO 98 N -1.48 0.78 -5.04 3.52 0.13 -1.77 -3.41 132.00 124.73 1a5n h PRO 98 Ca -0.62 -0.05 -0.63 0.00 -0.87 0.00 0.00 66.00 63.83 1a5n h PRO 98 Cb 1.36 -0.18 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1a5n h PRO 98 CO 0.45 0.52 -0.57 0.42 -0.23 0.00 0.00 178.00 178.58 1a5n s ILE 99 N -5.70 4.79 0.00 -3.56 1.01 -1.26 -4.33 121.20 112.16 1a5n s ILE 99 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1a5n s ILE 99 Cb 0.18 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1a5n s ILE 99 CO 0.76 0.35 0.23 -0.38 0.00 0.00 0.00 174.94 175.91