#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f2a n VAL 4 N 0.00 -7.62 -3.86 0.58 0.31 -1.26 -4.92 118.33 101.55 2f2a n VAL 4 Ca 0.00 1.17 -0.21 0.00 -0.01 0.00 0.00 64.34 65.29 2f2a n VAL 4 Cb 0.00 -5.35 -0.02 0.00 -0.91 0.00 0.00 33.84 27.57 2f2a n VAL 4 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2f2a s THR 5 N -0.64 5.14 0.50 2.52 -4.23 -1.26 -4.93 115.64 112.75 2f2a s THR 5 Ca -0.06 -0.93 0.23 0.00 -1.18 0.00 0.00 61.69 59.74 2f2a s THR 5 Cb 0.00 -3.82 0.38 0.00 1.34 0.00 0.00 72.50 70.41 2f2a s THR 5 CO 0.41 -0.34 1.98 -0.09 -0.54 0.00 0.00 174.62 176.04 2f2a h ARG 6 N 1.10 0.11 -0.08 3.99 2.43 -1.97 -0.85 114.38 119.11 2f2a h ARG 6 Ca -0.51 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 2f2a h ARG 6 Cb 1.23 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2f2a h ARG 6 CO 0.60 0.07 -0.03 0.93 -1.51 0.00 0.00 179.97 180.04 2f2a h GLU 7 N 0.12 0.17 -0.23 0.20 3.07 -1.98 -1.12 114.58 114.79 2f2a h GLU 7 Ca 0.28 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2f2a h GLU 7 Cb 0.95 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2f2a h GLU 7 CO -0.03 0.52 0.14 0.93 -1.40 0.00 0.00 179.01 179.17 2f2a h GLU 8 N -0.19 0.31 -0.72 2.33 5.08 -1.66 0.28 114.58 120.01 2f2a h GLU 8 Ca 0.02 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2f2a h GLU 8 Cb 0.46 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 2f2a h GLU 8 CO 0.01 0.23 0.36 0.28 -1.00 0.00 0.00 179.01 178.89 2f2a h VAL 9 N 0.30 0.86 -0.20 3.13 2.07 -1.18 0.26 116.25 121.47 2f2a h VAL 9 Ca 0.08 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 2f2a h VAL 9 Cb -0.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2f2a h VAL 9 CO -0.02 0.11 -0.45 -0.33 0.02 0.00 0.00 177.57 176.90 2f2a h GLU 10 N 0.62 0.51 -0.32 1.57 5.08 -0.69 -0.26 114.58 121.09 2f2a h GLU 10 Ca 0.35 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2f2a h GLU 10 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2f2a h GLU 10 CO -0.26 0.87 0.15 1.25 -1.00 0.00 0.00 179.01 180.01 2f2a h HIS 11 N 0.41 0.47 -0.20 4.33 2.76 0.11 -1.30 115.15 121.73 2f2a h HIS 11 Ca 0.03 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2f2a h HIS 11 Cb 0.96 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 2f2a h HIS 11 CO 0.04 0.43 0.11 0.82 -1.30 0.00 0.00 177.93 178.02 2f2a h ILE 12 N 0.38 1.11 -0.71 6.26 1.08 -0.39 -1.23 117.51 124.01 2f2a h ILE 12 Ca 0.11 -0.29 0.14 0.00 -0.39 0.00 0.00 64.86 64.43 2f2a h ILE 12 Cb 0.14 0.94 -0.10 0.00 -3.07 0.00 0.00 36.82 34.74 2f2a h ILE 12 CO -0.01 0.10 0.21 0.00 -0.69 0.00 0.00 178.15 177.76 2f2a h ALA 13 N 0.99 0.93 -0.18 1.87 0.00 -0.79 0.14 119.26 122.22 2f2a h ALA 13 Ca 0.07 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2f2a h ALA 13 Cb 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2f2a h ALA 13 CO -0.01 -0.28 -0.41 -0.97 0.00 0.00 0.00 179.25 177.58 2f2a h ASN 14 N 0.34 0.45 -0.53 0.00 -1.24 -0.88 0.22 115.58 113.94 2f2a h ASN 14 Ca 0.39 -0.20 -0.12 0.00 0.71 0.00 0.00 56.30 57.08 2f2a h ASN 14 Cb 0.61 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 2f2a h ASN 14 CO -0.44 0.81 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.31 2f2a h LEU 15 N 0.35 1.03 -1.38 0.34 3.38 0.29 -2.70 115.31 116.62 2f2a h LEU 15 Ca 0.03 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2f2a h LEU 15 Cb 0.87 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2f2a h LEU 15 CO 0.07 1.15 0.00 0.00 0.09 0.00 0.00 178.44 179.75 2f2a n ALA 16 N -2.50 2.45 -3.76 1.53 0.00 0.25 -4.93 120.51 113.55 2f2a n ALA 16 Ca 0.01 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.50 2f2a n ALA 16 Cb 0.41 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.90 2f2a n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f2a n ARG 17 N 0.59 -1.88 -4.92 0.00 5.12 -0.52 -4.99 116.66 110.05 2f2a n ARG 17 Ca 0.14 0.44 -0.29 0.00 -1.93 0.00 0.00 57.85 56.21 2f2a n ARG 17 Cb 0.33 -4.21 -0.17 0.00 -1.16 0.00 0.00 32.46 27.25 2f2a n ARG 17 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2f2a s LEU 18 N -6.64 1.88 -0.07 0.55 1.43 0.65 -5.02 118.68 111.45 2f2a s LEU 18 Ca 0.34 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 2f2a s LEU 18 Cb -0.12 -1.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.92 2f2a s LEU 18 CO 0.87 0.10 1.37 -1.58 0.23 0.00 0.00 176.35 177.34 2f2a s GLN 19 N 0.50 4.26 -0.13 1.70 2.00 -1.26 -4.50 119.66 122.22 2f2a s GLN 19 Ca -0.17 1.85 0.01 0.00 -2.00 0.00 0.00 55.36 55.06 2f2a s GLN 19 Cb -0.17 -3.71 0.02 0.00 0.80 0.00 0.00 33.01 29.95 2f2a s GLN 19 CO 0.06 -0.65 -0.15 -1.50 -0.50 0.00 0.00 175.29 172.56 2f2a s ILE 20 N 3.04 1.52 0.43 -2.34 1.10 -1.26 -5.13 121.20 118.56 2f2a s ILE 20 Ca 0.61 -0.63 -0.21 0.00 -0.51 0.00 0.00 60.65 59.91 2f2a s ILE 20 Cb -0.27 -1.41 -0.11 0.00 0.15 0.00 0.00 42.46 40.81 2f2a s ILE 20 CO 0.22 0.45 0.95 -0.94 -2.11 0.00 0.00 174.94 173.51 2f2a s SER 21 N 1.23 6.95 -0.10 4.50 1.04 -1.26 -4.90 113.70 121.16 2f2a s SER 21 Ca -0.01 1.69 -0.02 0.00 0.48 0.00 0.00 55.95 58.10 2f2a s SER 21 Cb -0.14 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 2f2a s SER 21 CO -0.06 -0.35 1.31 -2.65 0.98 0.00 0.00 173.24 172.47 2f2a n PRO 22 N -0.60 0.59 0.00 4.02 -0.02 -1.26 -1.29 135.00 136.44 2f2a n PRO 22 Ca 0.07 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2f2a n PRO 22 Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2f2a n PRO 22 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f2a n GLU 23 N 3.35 0.00 0.19 -0.52 -0.00 -1.26 -4.86 120.64 117.54 2f2a n GLU 23 Ca 0.13 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.43 2f2a n GLU 23 Cb 0.18 0.00 0.57 0.00 -0.00 0.00 0.00 31.44 32.18 2f2a n GLU 23 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2f2a h GLU 24 N 0.00 0.00 -0.08 3.44 5.08 -1.57 -2.73 114.58 118.73 2f2a h GLU 24 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2f2a h GLU 24 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2f2a h GLU 24 CO 0.00 0.00 0.00 1.15 -1.00 0.00 0.00 179.01 179.16 2f2a h THR 25 N 0.00 1.25 0.00 1.13 2.02 -1.81 0.40 112.91 115.90 2f2a h THR 25 Ca 0.00 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2f2a h THR 25 Cb 0.44 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2f2a h THR 25 CO 0.00 0.22 0.00 -0.08 0.37 0.00 0.00 175.52 176.03 2f2a h GLU 26 N -0.13 0.00 0.17 6.66 4.57 -1.79 0.75 114.58 124.80 2f2a h GLU 26 Ca 0.02 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.85 2f2a h GLU 26 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2f2a h GLU 26 CO 0.00 0.00 -1.83 1.49 -1.18 0.00 0.00 179.01 177.49 2f2a h GLU 27 N 0.00 0.36 0.00 1.92 4.22 -1.34 -3.13 114.58 116.61 2f2a h GLU 27 Ca 0.00 -0.61 -0.07 0.00 0.08 0.00 0.00 59.36 58.76 2f2a h GLU 27 Cb 0.43 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2f2a h GLU 27 CO 0.00 1.29 -0.35 1.98 -2.18 0.00 0.00 179.01 179.75 2f2a h MET 28 N 0.10 0.00 -0.10 1.92 4.05 0.04 -2.56 114.93 118.38 2f2a h MET 28 Ca -0.37 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.03 2f2a h MET 28 Cb 2.08 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.88 2f2a h MET 28 CO 0.15 0.35 -0.03 0.00 0.23 0.00 0.00 176.91 177.61 2f2a h ALA 29 N 1.65 0.14 -0.73 0.39 0.00 -0.94 0.18 119.26 119.94 2f2a h ALA 29 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2f2a h ALA 29 Cb 0.86 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2f2a h ALA 29 CO 0.05 -0.12 0.27 -0.91 0.00 0.00 0.00 179.25 178.53 2f2a h ASN 30 N -0.14 1.04 -0.17 0.00 2.35 -1.47 0.52 115.58 117.70 2f2a h ASN 30 Ca 0.02 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 2f2a h ASN 30 Cb 0.45 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2f2a h ASN 30 CO 0.01 0.95 0.00 0.74 -1.65 0.00 0.00 177.43 177.48 2f2a h THR 31 N 1.07 1.25 -0.23 2.81 2.02 -1.40 0.18 112.91 118.61 2f2a h THR 31 Ca 0.24 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 2f2a h THR 31 Cb 0.25 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2f2a h THR 31 CO -0.01 0.25 0.04 0.25 0.37 0.00 0.00 175.52 176.42 2f2a h LEU 32 N 0.05 0.30 0.06 2.58 5.85 -0.41 0.75 115.31 124.49 2f2a h LEU 32 Ca 0.05 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2f2a h LEU 32 Cb 0.38 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2f2a h LEU 32 CO 0.01 0.32 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.32 2f2a h GLU 33 N 0.33 -0.08 -0.40 1.25 4.57 -0.68 -1.90 114.58 117.68 2f2a h GLU 33 Ca 0.08 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.34 2f2a h GLU 33 Cb 0.15 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 2f2a h GLU 33 CO -0.00 0.52 -0.00 1.03 -1.18 0.00 0.00 179.01 179.38 2f2a h SER 34 N -0.87 -0.17 0.55 1.04 0.87 -0.45 0.17 113.55 114.70 2f2a h SER 34 Ca -0.01 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2f2a h SER 34 Cb 0.63 0.16 0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2f2a h SER 34 CO 0.01 -0.05 -0.27 0.40 -0.53 0.00 0.00 176.83 176.40 2f2a h ILE 35 N 0.10 0.38 -0.86 2.23 5.03 -0.96 -0.60 117.51 122.84 2f2a h ILE 35 Ca 0.19 -0.28 0.15 0.00 -0.12 0.00 0.00 64.86 64.81 2f2a h ILE 35 Cb 0.28 0.48 -0.07 0.00 -3.03 0.00 0.00 36.82 34.48 2f2a h ILE 35 CO -0.33 0.04 0.56 -0.07 -0.68 0.00 0.00 178.15 177.67 2f2a h LEU 36 N -0.93 0.57 -0.28 1.44 4.07 -1.14 0.29 115.31 119.33 2f2a h LEU 36 Ca -0.08 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.88 2f2a h LEU 36 Cb 0.63 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2f2a h LEU 36 CO 0.12 0.29 -0.00 -0.78 -1.08 0.00 0.00 178.44 176.99 2f2a h ASP 37 N 0.60 0.49 -0.02 -0.43 3.58 -0.57 -1.41 116.42 118.67 2f2a h ASP 37 Ca 0.43 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2f2a h ASP 37 Cb 0.79 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.71 2f2a h ASP 37 CO -0.19 0.68 0.02 0.15 -2.88 0.00 0.00 179.24 177.03 2f2a h PHE 38 N 0.28 0.00 0.00 0.28 3.57 0.97 -0.85 116.94 121.19 2f2a h PHE 38 Ca 0.08 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 2f2a h PHE 38 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2f2a h PHE 38 CO 0.04 0.00 -0.67 0.00 -2.23 0.00 0.00 178.31 175.45 2f2a h ALA 39 N 1.97 0.64 0.00 2.41 0.00 0.49 -3.26 119.26 121.51 2f2a h ALA 39 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2f2a h ALA 39 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2f2a h ALA 39 CO -0.00 0.84 0.00 1.63 0.00 0.00 0.00 179.25 181.72 2f2a n LYS 40 N -3.37 0.13 0.25 0.00 5.02 -0.32 -1.74 118.16 118.13 2f2a n LYS 40 Ca 0.01 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 2f2a n LYS 40 Cb 0.76 -1.20 0.51 0.00 -0.02 0.00 0.00 35.03 35.08 2f2a n LYS 40 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2f2a h GLN 41 N 0.00 0.00 0.00 1.97 4.20 -1.73 -2.76 115.11 116.79 2f2a h GLN 41 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2f2a h GLN 41 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2f2a h GLN 41 CO 0.00 0.07 0.00 0.09 -0.67 0.00 0.00 178.83 178.32 2f2a n ASN 42 N -3.17 0.55 0.25 1.46 3.02 -0.71 -2.16 115.26 114.51 2f2a n ASN 42 Ca 0.01 0.64 0.11 0.00 -0.03 0.00 0.00 54.58 55.32 2f2a n ASN 42 Cb 0.39 -0.76 0.68 0.00 -0.61 0.00 0.00 39.78 39.48 2f2a n ASN 42 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2f2a h ASP 43 N 0.00 0.00 1.04 6.41 3.32 -1.74 -0.64 116.42 124.81 2f2a h ASP 43 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2f2a h ASP 43 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2f2a h ASP 43 CO 0.00 0.14 0.00 -1.20 -1.72 0.00 0.00 179.24 176.46 2f2a n SER 44 N -3.73 0.35 -4.68 6.45 7.64 -0.92 -4.72 113.62 114.02 2f2a n SER 44 Ca -0.02 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 59.99 2f2a n SER 44 Cb 0.25 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.78 2f2a n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f2a s ALA 45 N -3.08 3.47 -1.15 -0.43 0.00 -0.25 -4.97 121.76 115.37 2f2a s ALA 45 Ca 0.10 0.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.02 2f2a s ALA 45 Cb 0.14 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 20.04 2f2a s ALA 45 CO 0.49 -0.62 1.56 0.34 0.00 0.00 0.00 175.76 177.53 2f2a s ASP 46 N 1.12 6.68 0.00 0.00 2.15 -1.26 -4.74 116.67 120.61 2f2a s ASP 46 Ca 0.42 -1.98 0.25 0.00 0.43 0.00 0.00 52.55 51.66 2f2a s ASP 46 Cb -0.17 -2.56 0.33 0.00 -0.30 0.00 0.00 42.92 40.22 2f2a s ASP 46 CO 0.14 -1.31 1.34 0.35 -0.17 0.00 0.00 175.17 175.52 2f2a n THR 47 N 6.51 0.00 -1.63 1.71 -2.24 -1.26 -4.91 114.28 112.47 2f2a n THR 47 Ca 0.40 -0.44 -0.48 0.00 -2.27 0.00 0.00 64.05 61.26 2f2a n THR 47 Cb 0.48 1.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.97 2f2a n THR 47 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2f2a n GLU 48 N 1.06 1.96 -0.83 -0.78 4.07 -1.26 -1.12 120.64 123.74 2f2a n GLU 48 Ca 0.15 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 2f2a n GLU 48 Cb 0.55 -2.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.23 2f2a n GLU 48 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2f2a n GLY 49 N 4.99 0.88 3.82 8.31 0.00 -1.26 -5.04 105.19 116.90 2f2a n GLY 49 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 2f2a n GLY 49 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f2a s VAL 50 N -3.50 4.86 0.31 1.61 -7.23 -0.27 -5.06 120.40 111.13 2f2a s VAL 50 Ca 0.00 1.05 -0.27 0.00 -1.81 0.00 0.00 61.98 60.95 2f2a s VAL 50 Cb 0.00 -3.82 -0.09 0.00 0.56 0.00 0.00 36.38 33.03 2f2a s VAL 50 CO 0.00 0.55 0.99 -1.61 -0.31 0.00 0.00 175.10 174.72 2f2a s GLU 51 N -1.13 4.57 0.45 4.82 0.41 -1.26 -5.03 118.70 121.53 2f2a s GLU 51 Ca 0.27 1.47 -0.22 0.00 -0.41 0.00 0.00 54.97 56.08 2f2a s GLU 51 Cb -0.18 -2.91 -0.08 0.00 -1.78 0.00 0.00 34.13 29.17 2f2a s GLU 51 CO 0.17 0.24 1.07 -2.14 -0.49 0.00 0.00 175.26 174.10 2f2a s PRO 52 N -1.86 3.92 -0.27 0.39 0.02 -1.26 -5.02 135.00 130.92 2f2a s PRO 52 Ca 0.49 1.51 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 2f2a s PRO 52 Cb -0.23 -2.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 2f2a s PRO 52 CO 0.29 -0.35 0.31 0.99 -0.33 0.00 0.00 177.00 177.90 2f2a s THR 53 N -1.75 5.22 -0.20 0.99 2.01 -1.26 -4.92 115.64 115.74 2f2a s THR 53 Ca 0.63 0.42 0.07 0.00 0.31 0.00 0.00 61.69 63.12 2f2a s THR 53 Cb -0.21 -3.64 -0.17 0.00 0.01 0.00 0.00 72.50 68.49 2f2a s THR 53 CO 0.26 0.19 -0.09 -1.22 -0.69 0.00 0.00 174.62 173.07 2f2a n TYR 54 N 5.23 0.00 -4.12 4.92 4.01 -1.26 -4.94 117.16 121.00 2f2a n TYR 54 Ca -0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.42 2f2a n TYR 54 Cb 0.51 -0.84 -0.17 0.00 -0.31 0.00 0.00 39.34 38.54 2f2a n TYR 54 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2f2a s HIS 55 N -2.42 0.84 -0.21 -0.72 3.76 -1.26 -5.03 115.29 110.24 2f2a s HIS 55 Ca -0.21 -0.26 0.18 0.00 -0.15 0.00 0.00 55.06 54.63 2f2a s HIS 55 Cb 0.06 -0.75 0.25 0.00 1.11 0.00 0.00 32.58 33.25 2f2a s HIS 55 CO 0.58 -0.24 1.54 -0.39 -0.85 0.00 0.00 174.74 175.38 2f2a h VAL 56 N 6.16 0.56 -3.69 -0.90 -1.51 -2.02 -3.43 116.25 111.42 2f2a h VAL 56 Ca -0.34 -1.73 -0.66 0.00 -1.23 0.00 0.00 66.70 62.75 2f2a h VAL 56 Cb 1.15 2.22 -0.22 0.00 -2.13 0.00 0.00 31.29 32.32 2f2a h VAL 56 CO 0.44 0.31 -0.58 -0.22 -1.23 0.00 0.00 177.57 176.28 2f2a s LEU 57 N -6.41 3.78 -0.12 4.19 0.20 -1.26 -5.04 118.68 114.02 2f2a s LEU 57 Ca 0.05 -0.30 -0.29 0.00 0.69 0.00 0.00 54.13 54.27 2f2a s LEU 57 Cb 0.07 -1.98 -0.05 0.00 -0.43 0.00 0.00 46.19 43.80 2f2a s LEU 57 CO 0.71 -0.10 1.71 1.51 -0.29 0.00 0.00 176.35 179.89 2f2a s ASP 58 N 1.63 6.47 -0.28 3.68 -4.77 -1.26 -4.91 116.67 117.22 2f2a s ASP 58 Ca 0.06 2.03 -0.12 0.00 -3.30 0.00 0.00 52.55 51.22 2f2a s ASP 58 Cb -0.16 -2.53 0.10 0.00 -1.09 0.00 0.00 42.92 39.24 2f2a s ASP 58 CO 0.06 -1.12 0.64 -0.22 0.70 0.00 0.00 175.17 175.23 2f2a s LEU 59 N 4.77 -1.00 0.20 2.11 2.96 -1.26 -5.17 118.68 121.30 2f2a s LEU 59 Ca 0.76 1.50 0.10 0.00 -0.22 0.00 0.00 54.13 56.27 2f2a s LEU 59 Cb -0.31 2.25 -0.04 0.00 0.50 0.00 0.00 46.19 48.59 2f2a s LEU 59 CO 0.31 -0.23 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.84 2f2a s GLN 60 N 2.32 1.78 -0.53 1.98 -0.21 -1.26 -4.90 119.66 118.83 2f2a s GLN 60 Ca -0.08 -1.45 -0.09 0.00 0.02 0.00 0.00 55.36 53.76 2f2a s GLN 60 Cb -0.09 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 31.96 2f2a s GLN 60 CO -0.19 0.40 0.46 0.09 -2.12 0.00 0.00 175.29 173.94 2f2a n ASN 61 N 0.03 -3.70 -4.25 5.90 3.02 -1.26 -4.93 115.26 110.07 2f2a n ASN 61 Ca -0.11 -0.54 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 2f2a n ASN 61 Cb 0.56 -1.18 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 2f2a n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2f2a s VAL 62 N -2.20 4.66 0.27 2.41 1.01 -1.26 -5.05 120.40 120.24 2f2a s VAL 62 Ca 0.09 -1.95 0.10 0.00 0.00 0.00 0.00 61.98 60.22 2f2a s VAL 62 Cb -0.01 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2f2a s VAL 62 CO 0.66 -0.86 -0.04 -0.76 0.00 0.00 0.00 175.10 174.11 2f2a s LEU 63 N 1.08 3.06 -0.10 3.92 2.01 -1.26 -5.14 118.68 122.25 2f2a s LEU 63 Ca 0.08 -0.75 -0.01 0.00 0.01 0.00 0.00 54.13 53.47 2f2a s LEU 63 Cb -0.24 -1.57 -0.03 0.00 0.01 0.00 0.00 46.19 44.36 2f2a s LEU 63 CO -0.01 -0.01 -0.07 -0.60 1.01 0.00 0.00 176.35 176.67 2f2a s ARG 64 N -3.65 3.13 0.29 1.70 3.52 -1.26 -5.08 118.95 117.60 2f2a s ARG 64 Ca 0.31 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 55.07 2f2a s ARG 64 Cb -0.06 -2.70 -0.11 0.00 -1.56 0.00 0.00 34.95 30.52 2f2a s ARG 64 CO 0.19 0.47 1.49 -1.21 -0.81 0.00 0.00 175.30 175.44 2f2a s GLU 65 N -0.29 4.20 -0.73 5.12 0.41 -1.26 -4.83 118.70 121.31 2f2a s GLU 65 Ca 0.04 2.44 -0.20 0.00 -0.41 0.00 0.00 54.97 56.85 2f2a s GLU 65 Cb -0.13 -3.05 -0.15 0.00 -1.78 0.00 0.00 34.13 29.02 2f2a s GLU 65 CO 0.02 -0.49 1.92 -3.47 -0.49 0.00 0.00 175.26 172.75 2f2a n ASP 66 N 1.81 2.74 -4.10 -0.19 2.03 -1.26 -4.81 116.55 112.76 2f2a n ASP 66 Ca 0.06 -2.60 -0.33 0.00 0.52 0.00 0.00 54.79 52.43 2f2a n ASP 66 Cb 0.39 -1.06 -0.15 0.00 -0.72 0.00 0.00 41.12 39.58 2f2a n ASP 66 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2f2a s LYS 67 N 4.87 2.42 0.43 -0.67 2.36 -1.26 -5.11 119.74 122.78 2f2a s LYS 67 Ca 0.54 -1.24 -0.24 0.00 -2.55 0.00 0.00 55.97 52.48 2f2a s LYS 67 Cb 0.14 -2.90 -0.08 0.00 -1.05 0.00 0.00 37.83 33.94 2f2a s LYS 67 CO 0.11 -0.51 1.20 0.00 1.55 0.00 0.00 175.35 177.69 2f2a s ALA 68 N 1.17 3.10 -0.12 3.13 0.00 -1.26 -5.04 121.76 122.73 2f2a s ALA 68 Ca -0.06 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2f2a s ALA 68 Cb -0.19 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.55 2f2a s ALA 68 CO -0.05 -0.66 -0.11 0.42 0.00 0.00 0.00 175.76 175.36 2f2a s ILE 69 N -1.42 1.28 0.20 0.00 1.09 -1.26 -5.11 121.20 115.98 2f2a s ILE 69 Ca 0.60 -0.47 -0.31 0.00 -1.10 0.00 0.00 60.65 59.37 2f2a s ILE 69 Cb -0.32 -1.23 -0.16 0.00 -1.06 0.00 0.00 42.46 39.69 2f2a s ILE 69 CO 0.40 0.41 0.92 1.17 -0.10 0.00 0.00 174.94 177.74 2f2a n LYS 70 N 4.69 0.76 -0.97 2.79 4.81 -1.26 -4.94 118.16 124.05 2f2a n LYS 70 Ca -0.16 0.27 -0.29 0.00 -0.87 0.00 0.00 58.31 57.26 2f2a n LYS 70 Cb 0.50 -1.59 0.22 0.00 0.02 0.00 0.00 35.03 34.19 2f2a n LYS 70 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2f2a s GLY 71 N -0.45 1.55 0.55 3.14 0.00 -1.26 -5.03 107.32 105.82 2f2a s GLY 71 Ca 0.68 -0.56 -0.10 0.00 0.00 0.00 0.00 44.72 44.75 2f2a s GLY 71 CO 0.56 0.20 0.93 -0.26 0.00 0.00 0.00 173.10 174.52 2f2a s ILE 72 N -2.84 4.77 0.46 0.90 -4.36 -1.26 -5.01 121.20 113.86 2f2a s ILE 72 Ca 0.68 0.67 -0.25 0.00 -0.26 0.00 0.00 60.65 61.49 2f2a s ILE 72 Cb -0.17 -3.84 -0.08 0.00 1.25 0.00 0.00 42.46 39.62 2f2a s ILE 72 CO 0.58 -0.96 1.35 -2.65 0.24 0.00 0.00 174.94 173.50 2f2a n PRO 73 N -2.38 2.01 -0.25 0.37 -0.02 -1.26 -4.78 135.00 128.70 2f2a n PRO 73 Ca 0.04 0.72 0.23 0.00 -2.02 0.00 0.00 63.50 62.47 2f2a n PRO 73 Cb 0.54 -2.51 0.58 0.00 -0.02 0.00 0.00 33.50 32.09 2f2a n PRO 73 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2f2a h GLN 74 N 2.04 0.27 -0.03 -0.52 4.15 -1.99 0.81 115.11 119.84 2f2a h GLN 74 Ca -0.50 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 58.93 2f2a h GLN 74 Cb 1.29 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2f2a h GLN 74 CO 0.60 0.18 -0.08 1.49 -1.93 0.00 0.00 178.83 179.08 2f2a h GLU 75 N 0.28 -0.13 -0.30 1.69 4.81 -1.99 -1.96 114.58 116.98 2f2a h GLU 75 Ca 0.49 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.73 2f2a h GLU 75 Cb 1.43 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 2f2a h GLU 75 CO -0.15 -0.08 0.19 -0.07 -0.73 0.00 0.00 179.01 178.17 2f2a h LEU 76 N -0.13 0.33 -2.26 1.64 3.38 -1.20 -0.88 115.31 116.18 2f2a h LEU 76 Ca 0.04 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2f2a h LEU 76 Cb 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2f2a h LEU 76 CO -0.11 0.24 0.12 0.00 0.09 0.00 0.00 178.44 178.78 2f2a h ALA 77 N 1.12 1.79 0.00 1.53 0.00 -1.09 -2.30 119.26 120.30 2f2a h ALA 77 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2f2a h ALA 77 Cb -0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2f2a h ALA 77 CO -0.03 -0.19 -1.49 1.28 0.00 0.00 0.00 179.25 178.81 2f2a n LEU 78 N -3.95 0.50 -0.11 0.00 4.77 -0.77 -4.73 117.00 112.72 2f2a n LEU 78 Ca 0.00 -0.24 -0.03 0.00 -0.03 0.00 0.00 56.01 55.71 2f2a n LEU 78 Cb 0.24 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2f2a n LEU 78 CO 0.29 0.12 0.33 1.17 -1.33 0.00 0.00 177.39 177.97 2f2a n LYS 79 N -1.89 -0.12 -0.00 3.23 3.00 -0.38 -1.39 118.16 120.61 2f2a n LYS 79 Ca -0.00 0.80 0.11 0.00 -0.00 0.00 0.00 58.31 59.23 2f2a n LYS 79 Cb 0.45 -1.19 0.65 0.00 0.00 0.00 0.00 35.03 34.94 2f2a n LYS 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2f2a n ASN 80 N -3.52 0.14 -4.80 3.14 3.02 -1.26 -4.88 115.26 107.10 2f2a n ASN 80 Ca 0.01 -1.33 -0.37 0.00 -0.03 0.00 0.00 54.58 52.86 2f2a n ASN 80 Cb 0.07 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 2f2a n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2f2a s ALA 81 N -1.99 3.41 -0.04 5.41 0.00 -0.48 -5.00 121.76 123.07 2f2a s ALA 81 Ca 0.34 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 2f2a s ALA 81 Cb 0.16 -2.90 -0.32 0.00 0.00 0.00 0.00 23.12 20.06 2f2a s ALA 81 CO 0.26 0.30 0.74 0.87 0.00 0.00 0.00 175.76 177.93 2f2a h LYS 82 N 3.76 0.41 -4.68 0.00 6.56 -1.89 -3.44 116.57 117.29 2f2a h LYS 82 Ca -0.48 -0.70 -0.69 0.00 -1.06 0.00 0.00 60.65 57.73 2f2a h LYS 82 Cb 1.20 0.26 -0.32 0.00 -0.57 0.00 0.00 32.23 32.80 2f2a h LYS 82 CO 0.65 1.33 -0.64 -1.21 -2.06 0.00 0.00 179.45 177.53 2f2a s GLU 83 N -2.56 2.42 0.05 3.15 0.41 -1.26 -5.08 118.70 115.82 2f2a s GLU 83 Ca -0.15 -1.34 0.03 0.00 -0.41 0.00 0.00 54.97 53.10 2f2a s GLU 83 Cb 0.05 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.01 2f2a s GLU 83 CO 0.86 -0.72 -0.10 0.95 -0.49 0.00 0.00 175.26 175.76 2f2a s THR 84 N 1.29 0.77 -0.29 3.63 -4.23 -1.26 -1.24 115.64 114.31 2f2a s THR 84 Ca -0.01 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.30 2f2a s THR 84 Cb -0.20 -0.77 0.10 0.00 1.34 0.00 0.00 72.50 72.97 2f2a s THR 84 CO -0.00 -0.24 0.72 -0.70 -0.54 0.00 0.00 174.62 173.86 2f2a s GLU 85 N -1.43 0.64 -1.18 3.99 2.12 -0.03 -4.86 118.70 117.95 2f2a s GLU 85 Ca -0.05 1.21 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 2f2a s GLU 85 Cb -0.09 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.61 2f2a s GLU 85 CO 0.01 -0.15 0.53 -0.25 -0.54 0.00 0.00 175.26 174.85 2f2a n ASP 86 N 4.54 -5.13 -1.39 -1.70 9.92 -1.26 -2.19 116.55 119.33 2f2a n ASP 86 Ca -0.18 -0.24 -0.15 0.00 -0.53 0.00 0.00 54.79 53.69 2f2a n ASP 86 Cb 0.56 -3.95 -0.03 0.00 -0.64 0.00 0.00 41.12 37.06 2f2a n ASP 86 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2f2a n GLY 87 N -1.39 0.63 3.15 0.44 0.00 -1.26 -4.99 105.19 101.77 2f2a n GLY 87 Ca -0.08 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2f2a n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f2a s GLN 88 N -3.98 0.82 0.04 1.61 -0.21 -0.93 -5.06 119.66 111.95 2f2a s GLN 88 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 53.74 2f2a s GLN 88 Cb 0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.95 2f2a s GLN 88 CO 0.00 -0.10 0.97 -0.06 -2.12 0.00 0.00 175.29 173.98 2f2a s PHE 89 N -3.79 3.71 -0.24 0.91 0.08 -1.26 -0.85 117.98 116.54 2f2a s PHE 89 Ca 0.14 1.72 -0.11 0.00 0.12 0.00 0.00 56.93 58.80 2f2a s PHE 89 Cb 0.07 -3.09 -0.05 0.00 -0.57 0.00 0.00 43.02 39.38 2f2a s PHE 89 CO -0.04 0.07 0.18 0.21 -0.10 0.00 0.00 175.22 175.54 2f2a s LYS 90 N 0.65 4.06 0.07 0.44 2.20 -0.38 -4.87 119.74 121.92 2f2a s LYS 90 Ca 0.50 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2f2a s LYS 90 Cb -0.22 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2f2a s LYS 90 CO 0.28 0.02 -0.05 0.14 -0.36 0.00 0.00 175.35 175.38 2f2a s VAL 91 N 1.19 0.44 1.05 4.02 -7.23 -1.26 -4.77 120.40 113.84 2f2a s VAL 91 Ca 0.08 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.31 2f2a s VAL 91 Cb -0.14 -1.54 0.22 0.00 0.56 0.00 0.00 36.38 35.49 2f2a s VAL 91 CO 0.06 -0.91 1.08 -2.84 -0.31 0.00 0.00 175.10 172.17 2f2a s PRO 92 N -3.75 -0.04 -0.37 4.82 0.02 -1.26 -4.99 135.00 129.43 2f2a s PRO 92 Ca 0.08 1.11 -0.04 0.00 0.02 0.00 0.00 61.00 62.17 2f2a s PRO 92 Cb 0.06 -1.64 0.08 0.00 0.02 0.00 0.00 34.50 33.02 2f2a s PRO 92 CO -0.07 -3.21 0.15 0.99 -0.33 0.00 0.00 177.00 174.53 2f2a s THR 93 N -2.57 3.36 0.00 0.99 2.01 -1.26 -5.30 115.64 112.87 2f2a s THR 93 Ca 0.67 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2f2a s THR 93 Cb -0.24 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2f2a s THR 93 CO 0.62 -0.47 0.30 -0.38 -0.69 0.00 0.00 174.62 174.00