#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3t s LEU 3 N 0.00 4.39 0.53 2.41 1.43 -1.26 -5.03 118.68 121.15 1s3t s LEU 3 Ca 0.00 2.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 1s3t s LEU 3 Cb 0.00 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.65 1s3t s LEU 3 CO 0.00 -0.68 0.73 0.54 0.23 0.00 0.00 176.35 177.17 1s3t s ASN 4 N 0.68 5.30 0.27 2.29 2.20 -1.26 -4.94 114.94 119.47 1s3t s ASN 4 Ca 0.62 -0.20 -0.01 0.00 -0.94 0.00 0.00 52.86 52.33 1s3t s ASN 4 Cb -0.40 -0.68 0.54 0.00 -2.00 0.00 0.00 41.25 38.71 1s3t s ASN 4 CO 0.37 -1.10 1.77 -0.65 -2.94 0.00 0.00 177.10 174.55 1s3t h PRO 5 N 0.19 0.64 -0.56 3.55 0.11 -2.00 -2.57 132.00 131.35 1s3t h PRO 5 Ca -0.40 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.56 1s3t h PRO 5 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1s3t h PRO 5 CO 0.49 0.43 -0.07 0.00 -0.21 0.00 0.00 178.00 178.63 1s3t h ALA 6 N 1.56 0.81 -0.63 -0.75 0.00 -1.99 -2.22 119.26 116.03 1s3t h ALA 6 Ca 0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1s3t h ALA 6 Cb 0.64 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1s3t h ALA 6 CO -0.35 0.67 0.33 0.93 0.00 0.00 0.00 179.25 180.83 1s3t h GLU 7 N 0.93 0.89 -0.82 0.00 5.08 -1.86 -0.22 114.58 118.58 1s3t h GLU 7 Ca 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1s3t h GLU 7 Cb 0.63 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1s3t h GLU 7 CO 0.04 0.69 0.44 0.87 -1.00 0.00 0.00 179.01 180.05 1s3t h LYS 8 N 0.86 1.14 -0.40 2.33 1.57 -1.31 -2.61 116.57 118.15 1s3t h LYS 8 Ca 0.22 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1s3t h LYS 8 Cb 0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1s3t h LYS 8 CO -0.03 0.84 -0.36 0.93 -0.57 0.00 0.00 179.45 180.27 1s3t h GLU 9 N 1.14 0.94 0.00 3.15 5.08 -0.93 -3.21 114.58 120.75 1s3t h GLU 9 Ca 0.29 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1s3t h GLU 9 Cb 0.04 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s3t h GLU 9 CO -0.05 1.13 -0.11 0.87 -1.00 0.00 0.00 179.01 179.86 1s3t h LYS 10 N 0.77 0.00 -0.69 2.33 1.57 -0.93 -2.14 116.57 117.48 1s3t h LYS 10 Ca 0.07 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1s3t h LYS 10 Cb 0.95 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 1s3t h LYS 10 CO 0.09 0.11 0.46 -0.07 -0.57 0.00 0.00 179.45 179.47 1s3t h LEU 11 N 0.00 0.55 -1.00 2.94 3.38 -1.46 -1.83 115.31 117.89 1s3t h LEU 11 Ca -0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1s3t h LEU 11 Cb 0.93 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1s3t h LEU 11 CO 0.01 0.34 -0.38 1.56 0.09 0.00 0.00 178.44 180.06 1s3t h GLN 12 N 0.62 0.00 -0.10 1.13 1.08 -1.50 -1.14 115.11 115.20 1s3t h GLN 12 Ca 0.31 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1s3t h GLN 12 Cb 0.41 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1s3t h GLN 12 CO -0.10 0.38 -0.02 0.82 -0.95 0.00 0.00 178.83 178.96 1s3t h ILE 13 N 0.00 1.28 -0.59 2.54 2.04 -1.41 -1.33 117.51 120.04 1s3t h ILE 13 Ca -0.00 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.02 1s3t h ILE 13 Cb 0.86 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1s3t h ILE 13 CO 0.05 0.25 0.29 0.15 0.00 0.00 0.00 178.15 178.90 1s3t h PHE 14 N -0.13 0.53 -0.50 1.37 3.57 -1.16 -0.70 116.94 119.92 1s3t h PHE 14 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1s3t h PHE 14 Cb 0.41 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1s3t h PHE 14 CO 0.05 0.23 0.30 1.25 -2.23 0.00 0.00 178.31 177.91 1s3t h LEU 15 N 0.55 0.60 -1.12 0.59 5.85 -1.11 -1.58 115.31 119.08 1s3t h LEU 15 Ca 0.27 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1s3t h LEU 15 Cb 0.22 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1s3t h LEU 15 CO -0.20 0.48 -0.17 0.00 -0.34 0.00 0.00 178.44 178.21 1s3t h ALA 16 N 1.14 1.26 -0.48 1.25 0.00 -0.87 -1.99 119.26 119.57 1s3t h ALA 16 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1s3t h ALA 16 Cb -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1s3t h ALA 16 CO -0.03 0.48 0.09 1.03 0.00 0.00 0.00 179.25 180.82 1s3t h SER 17 N 0.38 0.75 -0.49 0.00 0.87 -0.72 -1.07 113.55 113.27 1s3t h SER 17 Ca 0.07 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1s3t h SER 17 Cb 0.53 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1s3t h SER 17 CO 0.03 0.81 0.14 -0.33 -0.53 0.00 0.00 176.83 176.96 1s3t h GLU 18 N 0.66 0.76 -0.30 2.24 4.39 -0.94 0.29 114.58 121.68 1s3t h GLU 18 Ca 0.15 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.74 1s3t h GLU 18 Cb 0.37 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1s3t h GLU 18 CO 0.01 0.72 -0.11 1.25 -1.16 0.00 0.00 179.01 179.72 1s3t h LEU 19 N 0.66 -0.38 -0.71 1.33 5.85 -1.31 -1.34 115.31 119.40 1s3t h LEU 19 Ca 0.16 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 1s3t h LEU 19 Cb 0.29 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1s3t h LEU 19 CO -0.00 -0.14 0.17 -0.07 -0.34 0.00 0.00 178.44 178.06 1s3t h LEU 20 N -0.05 1.08 -0.77 2.25 4.07 -0.90 -1.69 115.31 119.30 1s3t h LEU 20 Ca 0.15 -0.23 -0.09 0.00 0.08 0.00 0.00 57.88 57.78 1s3t h LEU 20 Cb 0.28 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1s3t h LEU 20 CO -0.34 1.04 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.91 1s3t h LEU 21 N 1.08 0.84 -0.99 1.67 3.38 -0.73 0.04 115.31 120.61 1s3t h LEU 21 Ca 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1s3t h LEU 21 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1s3t h LEU 21 CO 0.00 0.95 0.50 0.03 0.09 0.00 0.00 178.44 180.01 1s3t h ARG 22 N 0.77 1.21 -0.31 1.13 3.08 -0.92 -0.89 114.38 118.46 1s3t h ARG 22 Ca 0.13 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1s3t h ARG 22 Cb 0.58 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1s3t h ARG 22 CO 0.04 0.87 -0.16 0.00 -1.07 0.00 0.00 179.97 179.64 1s3t h ARG 23 N 1.22 0.65 -0.83 0.04 3.08 -0.46 -2.69 114.38 115.39 1s3t h ARG 23 Ca 0.31 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1s3t h ARG 23 Cb -0.01 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1s3t h ARG 23 CO -0.05 0.88 0.53 -0.22 -1.07 0.00 0.00 179.97 180.03 1s3t h LYS 24 N 0.41 1.01 0.00 0.04 3.64 -0.88 -2.57 116.57 118.22 1s3t h LYS 24 Ca 0.07 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1s3t h LYS 24 Cb 0.69 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1s3t h LYS 24 CO 0.05 0.67 -0.21 0.00 -2.27 0.00 0.00 179.45 177.68 1s3t h ALA 25 N 1.34 1.61 -0.41 5.00 0.00 -0.94 -1.43 119.26 124.43 1s3t h ALA 25 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1s3t h ALA 25 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1s3t h ALA 25 CO -0.11 0.26 0.00 2.89 0.00 0.00 0.00 179.25 182.29 1s3t n ARG 26 N -4.22 2.22 0.00 0.00 1.85 -1.03 -4.92 116.66 110.55 1s3t n ARG 26 Ca -0.02 -1.59 0.00 0.00 -1.00 0.00 0.00 57.85 55.23 1s3t n ARG 26 Cb 0.27 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 1s3t n ARG 26 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s3t n GLY 27 N 1.04 1.02 3.78 2.89 0.00 -0.54 -5.08 105.19 108.31 1s3t n GLY 27 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1s3t n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3t s LEU 28 N 0.00 4.57 0.06 0.99 1.43 -0.99 -5.02 118.68 119.72 1s3t s LEU 28 Ca 0.00 1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 54.32 1s3t s LEU 28 Cb 0.00 -3.17 -0.07 0.00 0.03 0.00 0.00 46.19 42.98 1s3t s LEU 28 CO 0.00 0.22 1.43 -0.54 0.23 0.00 0.00 176.35 177.69 1s3t s LYS 29 N -1.08 4.29 0.43 1.70 3.01 -1.26 -4.31 119.74 122.51 1s3t s LYS 29 Ca 0.34 2.07 -0.21 0.00 -1.01 0.00 0.00 55.97 57.15 1s3t s LYS 29 Cb -0.22 -3.44 -0.11 0.00 -1.01 0.00 0.00 37.83 33.06 1s3t s LYS 29 CO 0.24 -0.54 0.96 -0.51 0.51 0.00 0.00 175.35 176.01 1s3t s LEU 30 N 1.87 3.95 0.00 3.17 1.43 -0.07 -4.57 118.68 124.46 1s3t s LEU 30 Ca 0.66 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1s3t s LEU 30 Cb -0.35 -4.51 0.03 0.00 0.03 0.00 0.00 46.19 41.39 1s3t s LEU 30 CO 0.29 -0.39 0.21 -0.46 0.23 0.00 0.00 176.35 176.23 1s3t n ASN 31 N -0.61 0.45 0.44 2.29 0.23 -1.26 -0.67 115.26 116.14 1s3t n ASN 31 Ca 0.07 -1.34 -0.18 0.00 -0.53 0.00 0.00 54.58 52.59 1s3t n ASN 31 Cb 0.54 -0.12 -0.09 0.00 -2.08 0.00 0.00 39.78 38.02 1s3t n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1s3t h TYR 32 N -0.14 -1.05 -0.76 -2.53 3.20 -1.97 -1.57 116.97 112.16 1s3t h TYR 32 Ca -0.07 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.81 1s3t h TYR 32 Cb 0.30 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1s3t h TYR 32 CO 0.00 -0.64 0.50 -1.00 -1.64 0.00 0.00 178.16 175.38 1s3t h PRO 33 N -1.22 0.91 -0.27 1.82 0.13 -1.99 -2.00 132.00 129.38 1s3t h PRO 33 Ca -0.12 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 1s3t h PRO 33 Cb 0.87 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1s3t h PRO 33 CO 0.19 0.60 0.10 0.93 -0.23 0.00 0.00 178.00 179.59 1s3t h GLU 34 N 0.94 0.40 -0.28 0.86 5.08 -1.92 -0.79 114.58 118.88 1s3t h GLU 34 Ca 0.30 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1s3t h GLU 34 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1s3t h GLU 34 CO -0.09 0.45 0.17 0.00 -1.00 0.00 0.00 179.01 178.54 1s3t h ALA 35 N 0.94 0.36 -0.37 3.43 0.00 -0.98 -1.04 119.26 121.60 1s3t h ALA 35 Ca 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1s3t h ALA 35 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1s3t h ALA 35 CO -0.01 -0.15 0.21 0.28 0.00 0.00 0.00 179.25 179.59 1s3t h VAL 36 N 0.36 1.03 -0.44 0.00 2.07 -1.28 -2.35 116.25 115.64 1s3t h VAL 36 Ca 0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1s3t h VAL 36 Cb 0.01 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1s3t h VAL 36 CO -0.02 0.08 0.28 0.00 0.02 0.00 0.00 177.57 177.93 1s3t h ALA 37 N 1.17 0.55 -0.17 1.67 0.00 -0.86 -0.26 119.26 121.36 1s3t h ALA 37 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s3t h ALA 37 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s3t h ALA 37 CO -0.07 0.02 0.11 0.82 0.00 0.00 0.00 179.25 180.13 1s3t h ILE 38 N 0.58 1.04 -0.37 0.00 2.04 -0.94 -1.70 117.51 118.17 1s3t h ILE 38 Ca 0.16 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.78 1s3t h ILE 38 Cb -0.04 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1s3t h ILE 38 CO -0.03 0.04 -0.39 0.40 0.00 0.00 0.00 178.15 178.17 1s3t h ILE 39 N 0.22 1.27 -0.18 -0.67 2.04 -1.20 -1.86 117.51 117.14 1s3t h ILE 39 Ca 0.06 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1s3t h ILE 39 Cb -0.02 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1s3t h ILE 39 CO -0.01 0.52 0.12 0.74 0.00 0.00 0.00 178.15 179.52 1s3t h THR 40 N 0.73 1.05 -0.65 -0.27 2.02 -0.99 -2.13 112.91 112.66 1s3t h THR 40 Ca 0.06 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1s3t h THR 40 Cb 0.98 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1s3t h THR 40 CO 0.09 0.05 0.15 -1.28 0.37 0.00 0.00 175.52 174.90 1s3t h SER 41 N 0.24 0.98 -0.67 4.18 0.87 -1.20 -1.84 113.55 116.10 1s3t h SER 41 Ca 0.06 -0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.49 1s3t h SER 41 Cb -0.02 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 61.62 1s3t h SER 41 CO -0.01 0.95 0.35 0.15 -0.53 0.00 0.00 176.83 177.73 1s3t h PHE 42 N 0.98 0.63 -0.24 2.24 3.04 -1.08 0.53 116.94 123.04 1s3t h PHE 42 Ca 0.21 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 1s3t h PHE 42 Cb 0.36 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1s3t h PHE 42 CO 0.03 0.27 0.08 0.82 -2.02 0.00 0.00 178.31 177.49 1s3t h ILE 43 N 0.63 1.18 -0.51 1.41 2.04 -0.80 0.19 117.51 121.64 1s3t h ILE 43 Ca 0.31 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 1s3t h ILE 43 Cb 0.26 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1s3t h ILE 43 CO -0.22 0.19 -0.08 0.24 0.00 0.00 0.00 178.15 178.28 1s3t h MET 44 N 0.23 0.93 -0.16 2.37 2.86 -0.98 -0.66 114.93 119.51 1s3t h MET 44 Ca 0.08 -0.31 -0.13 0.00 -2.06 0.00 0.00 59.70 57.28 1s3t h MET 44 Cb 0.21 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1s3t h MET 44 CO -0.00 0.97 -0.46 0.93 1.06 0.00 0.00 176.91 179.41 1s3t h GLU 45 N 0.84 0.40 -0.70 1.72 4.39 -0.79 -1.81 114.58 118.63 1s3t h GLU 45 Ca 0.14 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1s3t h GLU 45 Cb 0.60 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 1s3t h GLU 45 CO 0.04 0.78 0.28 0.78 -1.16 0.00 0.00 179.01 179.73 1s3t h GLY 46 N 1.18 1.11 1.00 -3.84 0.00 -0.16 -1.51 103.07 100.86 1s3t h GLY 46 Ca 0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1s3t h GLY 46 CO 0.08 0.57 0.31 0.00 0.00 0.00 0.00 176.54 177.49 1s3t h ALA 47 N 1.13 0.84 -0.63 3.60 0.00 -0.88 -2.47 119.26 120.85 1s3t h ALA 47 Ca 0.23 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1s3t h ALA 47 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1s3t h ALA 47 CO -0.02 0.42 0.42 -0.09 0.00 0.00 0.00 179.25 179.97 1s3t h ARG 48 N 0.91 0.82 0.00 0.00 9.65 -1.04 -1.73 114.38 122.99 1s3t h ARG 48 Ca 0.22 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1s3t h ARG 48 Cb 0.13 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1s3t h ARG 48 CO -0.03 0.54 0.00 -0.44 2.80 0.00 0.00 179.97 182.85 1s3t h ASP 49 N 0.85 0.00 0.00 -3.80 3.32 -0.85 -3.47 116.42 112.47 1s3t h ASP 49 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1s3t h ASP 49 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1s3t h ASP 49 CO -0.05 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 1s3t n GLY 50 N 0.13 0.87 3.75 2.75 0.00 -0.65 -5.08 105.19 106.96 1s3t n GLY 50 Ca 0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1s3t n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3t s LYS 51 N -0.63 2.11 0.62 1.61 1.02 -0.98 -4.93 119.74 118.55 1s3t s LYS 51 Ca 0.00 1.26 -0.07 0.00 0.02 0.00 0.00 55.97 57.17 1s3t s LYS 51 Cb 0.00 -1.87 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1s3t s LYS 51 CO 0.00 -1.77 0.95 0.95 -0.92 0.00 0.00 175.35 174.56 1s3t s THR 52 N -2.80 3.65 0.18 2.17 -4.23 -1.26 -4.72 115.64 108.63 1s3t s THR 52 Ca 0.63 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 61.14 1s3t s THR 52 Cb -0.18 -3.47 0.08 0.00 1.34 0.00 0.00 72.50 70.26 1s3t s THR 52 CO 0.55 -0.52 1.80 0.58 -0.54 0.00 0.00 174.62 176.48 1s3t h VAL 53 N -0.29 1.00 -0.72 2.29 2.07 -1.96 -2.44 116.25 116.19 1s3t h VAL 53 Ca -0.45 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1s3t h VAL 53 Cb 1.25 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1s3t h VAL 53 CO 0.61 0.10 0.33 0.00 0.02 0.00 0.00 177.57 178.63 1s3t h ALA 54 N 1.26 1.21 -0.78 1.67 0.00 -1.99 -0.92 119.26 119.71 1s3t h ALA 54 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s3t h ALA 54 Cb 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1s3t h ALA 54 CO -0.13 0.59 0.48 0.52 0.00 0.00 0.00 179.25 180.71 1s3t h MET 55 N 1.03 1.05 0.00 0.00 2.07 -1.87 -2.70 114.93 114.51 1s3t h MET 55 Ca 0.25 -0.09 -0.17 0.00 -2.07 0.00 0.00 59.70 57.62 1s3t h MET 55 Cb 0.14 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 29.62 1s3t h MET 55 CO -0.03 0.73 -0.80 -0.07 1.07 0.00 0.00 176.91 177.81 1s3t h LEU 56 N 1.07 0.00 -1.19 1.22 3.38 -0.93 0.02 115.31 118.88 1s3t h LEU 56 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1s3t h LEU 56 Cb -0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1s3t h LEU 56 CO -0.06 0.80 0.45 0.24 0.09 0.00 0.00 178.44 179.97 1s3t h MET 57 N 0.00 1.01 0.14 1.13 2.86 -1.00 -0.24 114.93 118.82 1s3t h MET 57 Ca -0.01 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1s3t h MET 57 Cb 1.50 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1s3t h MET 57 CO 0.10 0.70 -0.07 0.93 1.06 0.00 0.00 176.91 179.64 1s3t h GLU 58 N 1.03 -0.18 -0.70 1.72 5.08 -1.15 -3.37 114.58 117.02 1s3t h GLU 58 Ca 0.27 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1s3t h GLU 58 Cb -0.05 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1s3t h GLU 58 CO -0.05 0.23 0.46 0.93 -1.00 0.00 0.00 179.01 179.58 1s3t h GLU 59 N -0.93 0.88 0.00 2.33 5.08 -0.96 -2.46 114.58 118.52 1s3t h GLU 59 Ca -0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1s3t h GLU 59 Cb 0.49 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1s3t h GLU 59 CO 0.03 0.58 -0.01 0.78 -1.00 0.00 0.00 179.01 179.40 1s3t h GLY 60 N 0.91 0.00 0.77 -3.84 0.00 -1.19 -1.58 103.07 98.14 1s3t h GLY 60 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1s3t h GLY 60 CO -0.07 0.00 -0.01 0.28 0.00 0.00 0.00 176.54 176.74 1s3t n LYS 61 N -3.48 1.04 -0.09 4.80 5.02 -0.92 -3.85 118.16 120.67 1s3t n LYS 61 Ca -0.03 -0.20 0.02 0.00 -2.02 0.00 0.00 58.31 56.09 1s3t n LYS 61 Cb 0.10 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1s3t n LYS 61 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1s3t n HIS 62 N -0.80 0.00 -0.03 2.13 8.25 -0.60 -4.66 115.22 119.52 1s3t n HIS 62 Ca 0.21 -0.43 -0.16 0.00 -0.26 0.00 0.00 57.72 57.08 1s3t n HIS 62 Cb 0.18 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.14 1s3t n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1s3t h VAL 63 N 1.78 1.37 -4.14 1.59 2.07 -1.66 -3.45 116.25 113.81 1s3t h VAL 63 Ca 0.00 -1.84 -0.49 0.00 0.82 0.00 0.00 66.70 65.19 1s3t h VAL 63 Cb 0.88 2.21 -0.27 0.00 -1.52 0.00 0.00 31.29 32.59 1s3t h VAL 63 CO 0.00 0.55 -0.81 -0.76 0.02 0.00 0.00 177.57 176.57 1s3t s LEU 64 N -8.57 2.11 0.44 2.57 1.43 -1.26 -5.10 118.68 110.30 1s3t s LEU 64 Ca -0.13 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1s3t s LEU 64 Cb 0.06 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1s3t s LEU 64 CO 0.83 0.12 0.25 0.42 0.23 0.00 0.00 176.35 178.20 1s3t s THR 65 N -0.64 2.21 0.37 5.49 -4.23 -1.26 -4.52 115.64 113.06 1s3t s THR 65 Ca 0.04 -1.60 0.21 0.00 -1.18 0.00 0.00 61.69 59.16 1s3t s THR 65 Cb -0.07 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 71.17 1s3t s THR 65 CO 0.01 0.00 1.95 0.08 -0.54 0.00 0.00 174.62 176.12 1s3t h ARG 66 N 1.22 0.00 0.00 3.99 0.11 -1.91 0.14 114.38 117.93 1s3t h ARG 66 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1s3t h ARG 66 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1s3t h ARG 66 CO 0.65 0.22 0.00 0.38 0.10 0.00 0.00 179.97 181.32 1s3t h ASP 67 N 0.00 0.00 1.39 0.08 3.04 -1.97 -2.58 116.42 116.38 1s3t h ASP 67 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1s3t h ASP 67 Cb 0.49 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.78 1s3t h ASP 67 CO 0.03 0.00 0.00 0.44 -2.04 0.00 0.00 179.24 177.67 1s3t h ASP 68 N 0.00 0.00 -3.31 4.15 3.32 -1.35 -3.47 116.42 115.75 1s3t h ASP 68 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 1s3t h ASP 68 Cb 0.45 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.86 1s3t h ASP 68 CO 0.00 0.00 -0.67 0.68 -1.72 0.00 0.00 179.24 177.53 1s3t s VAL 69 N -3.22 1.41 0.72 -1.35 -7.23 -0.97 -0.90 120.40 108.86 1s3t s VAL 69 Ca 0.08 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 1s3t s VAL 69 Cb 0.10 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1s3t s VAL 69 CO 0.57 -0.34 1.10 -0.04 -0.31 0.00 0.00 175.10 176.08 1s3t s MET 70 N -3.77 2.51 0.03 4.82 -1.94 0.16 -4.73 119.30 116.37 1s3t s MET 70 Ca 0.28 1.27 -0.38 0.00 -1.71 0.00 0.00 55.69 55.16 1s3t s MET 70 Cb 0.04 -1.92 -0.17 0.00 2.01 0.00 0.00 34.83 34.79 1s3t s MET 70 CO 0.10 -1.46 1.33 -1.91 -0.01 0.00 0.00 175.02 173.07 1s3t n GLU 71 N -3.01 0.93 0.00 2.03 2.13 -1.26 -1.92 120.64 119.54 1s3t n GLU 71 Ca 0.10 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1s3t n GLU 71 Cb 0.52 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1s3t n GLU 71 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s3t n GLY 72 N 2.50 3.05 0.35 8.31 0.00 -1.26 -4.90 105.19 113.24 1s3t n GLY 72 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1s3t n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s3t h VAL 73 N 0.00 1.26 -0.89 1.61 2.07 -1.75 -1.53 116.25 117.02 1s3t h VAL 73 Ca 0.00 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1s3t h VAL 73 Cb 0.00 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1s3t h VAL 73 CO 0.00 0.30 0.58 -0.65 0.02 0.00 0.00 177.57 177.82 1s3t h PRO 74 N 1.23 1.02 0.00 1.57 0.11 -1.84 -2.22 132.00 131.86 1s3t h PRO 74 Ca 0.30 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 1s3t h PRO 74 Cb 0.06 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1s3t h PRO 74 CO -0.05 0.68 -0.29 0.93 -0.21 0.00 0.00 178.00 179.06 1s3t h GLU 75 N 1.05 0.00 0.00 1.05 3.07 -1.78 -3.09 114.58 114.87 1s3t h GLU 75 Ca 0.37 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.15 1s3t h GLU 75 Cb 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1s3t h GLU 75 CO -0.13 0.29 -0.35 0.52 -1.40 0.00 0.00 179.01 177.94 1s3t h MET 76 N 0.00 0.00 -4.03 2.33 2.86 -0.68 -3.41 114.93 112.01 1s3t h MET 76 Ca -0.00 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 56.88 1s3t h MET 76 Cb 1.22 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.62 1s3t h MET 76 CO 0.04 0.35 -0.17 0.42 1.06 0.00 0.00 176.91 178.61 1s3t s ILE 77 N -3.56 5.09 0.09 -1.22 1.01 -1.03 -4.88 121.20 116.69 1s3t s ILE 77 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 60.65 58.64 1s3t s ILE 77 Cb 0.10 -4.24 -0.22 0.00 0.01 0.00 0.00 42.46 38.11 1s3t s ILE 77 CO 0.68 -0.90 1.21 0.44 0.00 0.00 0.00 174.94 176.38 1s3t h ASP 78 N 8.42 0.86 -5.04 3.58 3.32 -1.82 -3.41 116.42 122.34 1s3t h ASP 78 Ca -0.16 -0.68 0.11 0.00 0.02 0.00 0.00 57.03 56.32 1s3t h ASP 78 Cb 1.07 -0.26 -0.10 0.00 0.22 0.00 0.00 39.33 40.26 1s3t h ASP 78 CO 0.92 1.48 0.39 1.51 -1.72 0.00 0.00 179.24 181.81 1s3t s ASP 79 N -7.25 -0.30 -0.06 6.45 1.47 -1.26 -0.49 116.67 115.22 1s3t s ASP 79 Ca -0.09 -0.29 0.02 0.00 1.18 0.00 0.00 52.55 53.38 1s3t s ASP 79 Cb 0.07 0.53 0.01 0.00 -0.34 0.00 0.00 42.92 43.20 1s3t s ASP 79 CO 0.91 -0.94 -0.12 -0.63 0.68 0.00 0.00 175.17 175.07 1s3t s ILE 80 N -3.46 1.08 -0.05 2.11 1.01 -0.21 -4.96 121.20 116.72 1s3t s ILE 80 Ca 0.08 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.33 1s3t s ILE 80 Cb -0.02 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 1s3t s ILE 80 CO -0.02 0.34 -0.22 -1.10 0.00 0.00 0.00 174.94 173.93 1s3t s GLN 81 N 0.55 2.43 -0.08 2.79 -0.21 -1.26 -0.73 119.66 123.15 1s3t s GLN 81 Ca -0.12 -0.86 -0.13 0.00 0.02 0.00 0.00 55.36 54.27 1s3t s GLN 81 Cb -0.14 -2.19 0.03 0.00 1.00 0.00 0.00 33.01 31.71 1s3t s GLN 81 CO 0.03 0.49 0.33 0.00 -2.12 0.00 0.00 175.29 174.02 1s3t s ALA 82 N -0.42 -0.83 -0.08 6.09 0.00 -0.55 -5.01 121.76 120.96 1s3t s ALA 82 Ca 0.04 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1s3t s ALA 82 Cb -0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1s3t s ALA 82 CO 0.01 -0.21 -0.07 -1.21 0.00 0.00 0.00 175.76 174.28 1s3t s GLU 83 N -0.47 2.88 0.27 0.00 2.02 -1.26 -0.83 118.70 121.30 1s3t s GLU 83 Ca -0.06 -0.56 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 1s3t s GLU 83 Cb -0.04 -2.61 -0.00 0.00 0.10 0.00 0.00 34.13 31.58 1s3t s GLU 83 CO 0.02 0.58 0.49 0.00 0.02 0.00 0.00 175.26 176.37 1s3t s ALA 84 N -0.59 -0.12 -0.52 5.21 0.00 -1.06 -4.97 121.76 119.71 1s3t s ALA 84 Ca 0.09 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.86 1s3t s ALA 84 Cb -0.12 1.07 0.05 0.00 0.00 0.00 0.00 23.12 24.12 1s3t s ALA 84 CO 0.02 -0.85 0.78 0.99 0.00 0.00 0.00 175.76 176.70 1s3t s THR 85 N -3.82 4.63 0.84 0.00 2.01 -1.26 -1.92 115.64 116.12 1s3t s THR 85 Ca 0.23 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 1s3t s THR 85 Cb -0.01 -4.41 0.11 0.00 0.01 0.00 0.00 72.50 68.21 1s3t s THR 85 CO 0.11 -0.94 1.20 -0.36 -0.69 0.00 0.00 174.62 173.94 1s3t s PHE 86 N 3.30 2.55 0.47 4.92 0.40 -0.02 -4.27 117.98 125.34 1s3t s PHE 86 Ca 0.23 0.59 0.17 0.00 -0.60 0.00 0.00 56.93 57.32 1s3t s PHE 86 Cb -0.15 -3.64 1.17 0.00 0.51 0.00 0.00 43.02 40.90 1s3t s PHE 86 CO 0.16 -1.99 2.01 -1.35 0.70 0.00 0.00 175.22 174.75 1s3t h PRO 87 N -1.17 0.23 -1.05 0.24 0.11 -1.92 -1.67 132.00 126.77 1s3t h PRO 87 Ca -0.45 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.13 1s3t h PRO 87 Cb 1.30 -0.05 -0.27 0.00 0.11 0.00 0.00 31.00 32.09 1s3t h PRO 87 CO 0.57 0.15 0.66 -0.40 -0.21 0.00 0.00 178.00 178.77 1s3t n ASP 88 N -4.45 5.11 0.00 -2.05 5.75 -1.26 -5.05 116.55 114.60 1s3t n ASP 88 Ca 0.08 -3.50 0.00 0.00 -0.01 0.00 0.00 54.79 51.36 1s3t n ASP 88 Cb 0.39 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1s3t n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s3t n GLY 89 N -0.83 -2.64 3.72 6.12 0.00 -0.63 -4.93 105.19 106.01 1s3t n GLY 89 Ca 0.54 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1s3t n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3t s THR 90 N -0.45 3.46 0.05 2.61 2.01 -1.26 -0.84 115.64 121.22 1s3t s THR 90 Ca 0.00 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1s3t s THR 90 Cb 0.00 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 1s3t s THR 90 CO 0.00 0.11 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.46 1s3t s LYS 91 N 0.71 0.55 -0.17 4.92 -0.14 -0.81 -4.92 119.74 119.87 1s3t s LYS 91 Ca 0.61 -1.00 -0.13 0.00 -1.36 0.00 0.00 55.97 54.09 1s3t s LYS 91 Cb -0.35 0.05 -0.05 0.00 -1.68 0.00 0.00 37.83 35.81 1s3t s LYS 91 CO 0.32 -0.06 0.26 -1.17 -0.76 0.00 0.00 175.35 173.95 1s3t s LEU 92 N -2.34 4.23 -0.14 3.17 2.96 -1.26 -2.57 118.68 122.73 1s3t s LEU 92 Ca -0.01 0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 1s3t s LEU 92 Cb -0.00 -2.32 -0.02 0.00 0.50 0.00 0.00 46.19 44.35 1s3t s LEU 92 CO -0.05 0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.32 1s3t s VAL 93 N 0.49 3.56 -0.17 1.68 1.01 -0.01 -5.00 120.40 121.95 1s3t s VAL 93 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1s3t s VAL 93 Cb -0.13 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1s3t s VAL 93 CO 0.03 0.51 -0.11 -0.89 0.00 0.00 0.00 175.10 174.64 1s3t s THR 94 N 0.31 3.04 -0.29 3.92 2.01 -1.26 -1.49 115.64 121.88 1s3t s THR 94 Ca -0.06 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1s3t s THR 94 Cb -0.15 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1s3t s THR 94 CO 0.04 0.49 0.18 -0.69 -0.69 0.00 0.00 174.62 173.95 1s3t s VAL 95 N 0.90 5.07 -0.06 3.82 1.01 0.09 -4.75 120.40 126.48 1s3t s VAL 95 Ca -0.03 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1s3t s VAL 95 Cb -0.15 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1s3t s VAL 95 CO -0.00 0.17 0.40 -1.00 0.00 0.00 0.00 175.10 174.67 1s3t s HIS 96 N 1.71 3.63 -1.21 5.22 3.76 -1.26 -1.04 115.29 126.09 1s3t s HIS 96 Ca 0.06 0.89 -0.28 0.00 -0.15 0.00 0.00 55.06 55.58 1s3t s HIS 96 Cb -0.16 -2.35 0.02 0.00 1.11 0.00 0.00 32.58 31.20 1s3t s HIS 96 CO 0.09 0.46 0.69 0.09 -0.85 0.00 0.00 174.74 175.22 1s3t n ASN 97 N 2.59 -4.24 0.26 1.40 3.02 0.35 -4.83 115.26 113.81 1s3t n ASN 97 Ca -0.12 -1.19 0.09 0.00 -0.03 0.00 0.00 54.58 53.33 1s3t n ASN 97 Cb 0.52 -2.32 0.67 0.00 -0.61 0.00 0.00 39.78 38.05 1s3t n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1s3t h PRO 98 N -2.33 0.00 -4.83 3.52 0.13 -1.78 -3.38 132.00 123.33 1s3t h PRO 98 Ca -0.69 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.77 1s3t h PRO 98 Cb 1.39 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.15 1s3t h PRO 98 CO 0.52 0.04 -0.78 0.42 -0.23 0.00 0.00 178.00 177.97 1s3t s ILE 99 N -4.86 2.23 -1.67 -3.56 1.01 -1.26 -4.21 121.20 108.88 1s3t s ILE 99 Ca -0.05 -1.77 0.13 0.00 0.00 0.00 0.00 60.65 58.97 1s3t s ILE 99 Cb 0.16 -2.38 0.11 0.00 0.01 0.00 0.00 42.46 40.35 1s3t s ILE 99 CO 0.65 -0.15 0.92 -1.54 0.00 0.00 0.00 174.94 174.82