#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b4a s PRO 3 N 0.00 2.21 -0.52 2.61 0.04 -1.26 -5.03 135.00 133.06 2b4a s PRO 3 Ca 0.00 0.54 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2b4a s PRO 3 Cb 0.00 -1.94 0.14 0.00 0.04 0.00 0.00 34.50 32.73 2b4a s PRO 3 CO 0.00 -1.51 0.33 0.12 0.04 0.00 0.00 177.00 175.98 2b4a s PHE 4 N -3.24 3.49 -0.24 0.56 5.36 -1.26 -5.01 117.98 117.64 2b4a s PHE 4 Ca 0.60 -2.56 -0.21 0.00 -0.96 0.00 0.00 56.93 53.80 2b4a s PHE 4 Cb -0.13 -3.22 -0.02 0.00 -0.34 0.00 0.00 43.02 39.31 2b4a s PHE 4 CO 0.53 -0.90 0.68 1.03 -1.46 0.00 0.00 175.22 175.09 2b4a s ARG 5 N 0.52 4.15 -0.06 10.12 0.52 -1.26 -1.37 118.95 131.57 2b4a s ARG 5 Ca 0.13 0.66 0.05 0.00 -0.52 0.00 0.00 55.73 56.04 2b4a s ARG 5 Cb -0.22 -3.63 -0.00 0.00 0.52 0.00 0.00 34.95 31.62 2b4a s ARG 5 CO -0.04 -0.40 -0.21 0.08 0.02 0.00 0.00 175.30 174.75 2b4a s VAL 6 N 2.44 1.79 -0.14 3.52 1.01 -0.65 0.41 120.40 128.78 2b4a s VAL 6 Ca 0.29 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2b4a s VAL 6 Cb -0.16 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2b4a s VAL 6 CO 0.09 0.50 -0.11 -0.89 0.00 0.00 0.00 175.10 174.69 2b4a s THR 7 N 0.05 3.19 -0.23 3.92 2.01 -0.18 -1.01 115.64 123.39 2b4a s THR 7 Ca -0.07 -0.60 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2b4a s THR 7 Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.02 2b4a s THR 7 CO 0.04 0.51 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.20 2b4a s LEU 8 N 0.50 3.01 -0.40 4.42 2.96 0.10 -0.37 118.68 128.91 2b4a s LEU 8 Ca -0.08 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 2b4a s LEU 8 Cb -0.15 -1.69 0.10 0.00 0.50 0.00 0.00 46.19 44.95 2b4a s LEU 8 CO 0.04 -0.08 0.18 -0.69 -1.32 0.00 0.00 176.35 174.48 2b4a s VAL 9 N 1.39 3.27 -0.17 1.68 1.01 0.69 -0.70 120.40 127.58 2b4a s VAL 9 Ca 0.03 -1.96 -0.10 0.00 0.00 0.00 0.00 61.98 59.94 2b4a s VAL 9 Cb -0.15 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.08 2b4a s VAL 9 CO -0.04 -0.62 0.41 -0.70 0.00 0.00 0.00 175.10 174.14 2b4a s GLU 10 N 1.16 0.40 0.00 2.72 2.56 -1.00 -1.65 118.70 122.89 2b4a s GLU 10 Ca 0.07 0.74 0.19 0.00 0.00 0.00 0.00 54.97 55.97 2b4a s GLU 10 Cb -0.22 0.02 -0.11 0.00 2.00 0.00 0.00 34.13 35.82 2b4a s GLU 10 CO -0.04 -0.14 0.90 -0.40 -0.56 0.00 0.00 175.26 175.03 2b4a n ASP 11 N 3.99 1.40 -4.58 -1.70 5.75 -1.26 -4.46 116.55 115.69 2b4a n ASP 11 Ca -0.21 -1.20 -0.43 0.00 -0.01 0.00 0.00 54.79 52.94 2b4a n ASP 11 Cb 0.56 0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 41.34 2b4a n ASP 11 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2b4a s GLU 12 N -2.52 3.65 0.44 0.11 0.41 -1.26 -4.95 118.70 114.59 2b4a s GLU 12 Ca 0.12 0.36 0.21 0.00 -0.41 0.00 0.00 54.97 55.25 2b4a s GLU 12 Cb 0.15 -3.89 1.04 0.00 -1.78 0.00 0.00 34.13 29.65 2b4a s GLU 12 CO 0.64 -1.20 1.92 -1.35 -0.49 0.00 0.00 175.26 174.78 2b4a h PRO 13 N 8.98 0.00 0.00 0.39 0.11 -1.97 -0.67 132.00 138.84 2b4a h PRO 13 Ca -0.24 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.75 2b4a h PRO 13 Cb 1.07 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2b4a h PRO 13 CO 1.04 0.24 -0.58 0.66 -0.21 0.00 0.00 178.00 179.16 2b4a h SER 14 N 0.00 0.00 0.38 -2.05 4.64 -1.98 0.47 113.55 115.01 2b4a h SER 14 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 2b4a h SER 14 Cb 0.55 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2b4a h SER 14 CO 0.03 0.58 -1.20 0.45 -0.87 0.00 0.00 176.83 175.82 2b4a h HIS 15 N 0.00 0.73 0.06 4.77 3.86 -1.84 -2.98 115.15 119.74 2b4a h HIS 15 Ca -0.01 -0.47 -0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2b4a h HIS 15 Cb 1.12 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2b4a h HIS 15 CO 0.00 1.34 -0.03 0.00 0.86 0.00 0.00 177.93 180.10 2b4a h ALA 16 N 0.49 -0.08 -0.41 2.45 0.00 -1.02 -0.41 119.26 120.28 2b4a h ALA 16 Ca -0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2b4a h ALA 16 Cb 1.89 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2b4a h ALA 16 CO 0.21 -0.45 -0.07 1.79 0.00 0.00 0.00 179.25 180.73 2b4a h THR 17 N -0.26 1.24 -0.05 0.00 1.35 -1.02 0.35 112.91 114.53 2b4a h THR 17 Ca -0.01 -1.06 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 2b4a h THR 17 Cb 0.23 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2b4a h THR 17 CO 0.01 0.36 0.01 0.25 -0.25 0.00 0.00 175.52 175.90 2b4a h LEU 18 N 0.65 0.07 -0.52 3.87 6.46 -1.50 -0.67 115.31 123.67 2b4a h LEU 18 Ca 0.12 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 2b4a h LEU 18 Cb 0.51 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 2b4a h LEU 18 CO 0.03 0.30 0.29 0.40 -0.62 0.00 0.00 178.44 178.85 2b4a h ILE 19 N -0.16 1.17 -0.53 4.05 2.04 -0.88 -2.69 117.51 120.52 2b4a h ILE 19 Ca 0.01 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.50 2b4a h ILE 19 Cb 0.26 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 2b4a h ILE 19 CO 0.00 0.18 0.36 -0.61 0.00 0.00 0.00 178.15 178.08 2b4a h GLN 20 N 0.70 0.51 -0.68 2.37 4.15 -0.83 -0.75 115.11 120.57 2b4a h GLN 20 Ca 0.19 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.51 2b4a h GLN 20 Cb 0.03 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2b4a h GLN 20 CO -0.03 0.34 0.18 -0.92 -1.93 0.00 0.00 178.83 176.46 2b4a h TYR 21 N 0.52 1.12 0.16 3.99 3.20 -0.78 -2.05 116.97 123.13 2b4a h TYR 21 Ca 0.23 -0.12 -0.31 0.00 3.14 0.00 0.00 58.73 61.66 2b4a h TYR 21 Cb 0.23 -0.32 0.03 0.00 1.54 0.00 0.00 36.73 38.22 2b4a h TYR 21 CO -0.00 0.91 -1.31 0.45 -1.64 0.00 0.00 178.16 176.57 2b4a h HIS 22 N 1.03 1.01 -0.71 -3.82 3.86 -1.24 -2.55 115.15 112.73 2b4a h HIS 22 Ca 0.22 -0.66 0.15 0.00 -1.16 0.00 0.00 60.37 58.92 2b4a h HIS 22 Cb 0.34 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 28.63 2b4a h HIS 22 CO 0.03 1.50 0.12 -0.07 0.86 0.00 0.00 177.93 180.36 2b4a h LEU 23 N 0.25 -0.10 -1.22 2.43 3.38 -1.18 -0.54 115.31 118.34 2b4a h LEU 23 Ca -0.21 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2b4a h LEU 23 Cb 1.99 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 2b4a h LEU 23 CO 0.25 -0.07 -0.34 0.78 0.09 0.00 0.00 178.44 179.14 2b4a h ASN 24 N 0.21 0.00 1.67 -0.43 -0.26 -1.28 -0.75 115.58 114.74 2b4a h ASN 24 Ca 0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 2b4a h ASN 24 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 2b4a h ASN 24 CO -0.53 0.34 -0.08 1.56 -1.06 0.00 0.00 177.43 177.65 2b4a h GLN 25 N 0.00 0.00 -0.38 0.81 1.08 -0.95 -2.74 115.11 112.93 2b4a h GLN 25 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2b4a h GLN 25 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2b4a h GLN 25 CO 0.04 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.20 2b4a n LEU 26 N -2.67 2.90 0.00 1.46 4.77 -0.27 -4.98 117.00 118.21 2b4a n LEU 26 Ca 0.04 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2b4a n LEU 26 Cb 0.48 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2b4a n LEU 26 CO 0.33 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2b4a n GLY 27 N 1.39 0.68 3.84 -0.72 0.00 -0.68 -5.04 105.19 104.65 2b4a n GLY 27 Ca 0.18 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2b4a n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b4a s ALA 28 N -2.00 3.43 -0.55 4.61 0.00 -0.37 -4.64 121.76 122.24 2b4a s ALA 28 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 2b4a s ALA 28 Cb 0.00 -2.68 0.05 0.00 0.00 0.00 0.00 23.12 20.48 2b4a s ALA 28 CO 0.00 0.38 0.85 -2.00 0.00 0.00 0.00 175.76 174.99 2b4a s GLU 29 N -2.51 3.25 -0.15 0.00 2.56 -0.47 -4.62 118.70 116.75 2b4a s GLU 29 Ca 0.47 -0.51 -0.07 0.00 0.00 0.00 0.00 54.97 54.87 2b4a s GLU 29 Cb -0.13 -4.08 -0.04 0.00 2.00 0.00 0.00 34.13 31.88 2b4a s GLU 29 CO 0.19 -1.43 0.08 0.08 -0.56 0.00 0.00 175.26 173.62 2b4a s VAL 30 N 3.55 4.95 -0.17 3.70 1.01 -1.26 -1.64 120.40 130.55 2b4a s VAL 30 Ca 0.25 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 2b4a s VAL 30 Cb -0.15 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 2b4a s VAL 30 CO 0.16 0.52 -0.10 -0.89 0.00 0.00 0.00 175.10 174.79 2b4a s THR 31 N -0.18 3.10 -0.19 3.92 2.01 -0.18 -4.98 115.64 119.13 2b4a s THR 31 Ca 0.08 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 2b4a s THR 31 Cb -0.12 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2b4a s THR 31 CO 0.01 0.49 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.69 2b4a s VAL 32 N 0.87 3.53 -0.25 3.82 1.01 -1.26 0.03 120.40 128.15 2b4a s VAL 32 Ca -0.03 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2b4a s VAL 32 Cb -0.15 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2b4a s VAL 32 CO 0.00 0.45 0.04 -1.00 0.00 0.00 0.00 175.10 174.59 2b4a s HIS 33 N 1.07 3.06 -1.62 5.22 3.76 0.13 -4.96 115.29 121.94 2b4a s HIS 33 Ca 0.01 -0.65 0.29 0.00 -0.15 0.00 0.00 55.06 54.56 2b4a s HIS 33 Cb -0.15 -2.20 1.57 0.00 1.11 0.00 0.00 32.58 32.92 2b4a s HIS 33 CO 0.00 -0.45 2.05 -0.35 -0.85 0.00 0.00 174.74 175.14 2b4a n PRO 34 N 4.88 0.59 -3.88 8.40 -0.04 -1.26 -2.38 135.00 141.30 2b4a n PRO 34 Ca -0.17 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 2b4a n PRO 34 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2b4a n PRO 34 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2b4a s SER 35 N -2.38 -0.19 0.34 3.54 1.04 -1.26 -4.29 113.70 110.50 2b4a s SER 35 Ca 0.33 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 56.11 2b4a s SER 35 Cb 0.20 0.62 0.63 0.00 0.10 0.00 0.00 66.02 67.57 2b4a s SER 35 CO 0.41 -1.17 1.86 1.23 0.98 0.00 0.00 173.24 176.55 2b4a h GLY 36 N 2.17 0.46 1.34 7.32 0.00 -1.88 -1.59 103.07 110.89 2b4a h GLY 36 Ca -0.25 -0.29 -0.18 0.00 0.00 0.00 0.00 47.33 46.61 2b4a h GLY 36 CO 0.32 0.27 -0.60 1.76 0.00 0.00 0.00 176.54 178.30 2b4a h SER 37 N 0.40 0.77 -0.39 0.19 0.02 -1.95 0.24 113.55 112.83 2b4a h SER 37 Ca 0.08 -0.43 0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2b4a h SER 37 Cb 0.40 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2b4a h SER 37 CO 0.02 1.19 0.16 0.00 -1.14 0.00 0.00 176.83 177.05 2b4a h ALA 38 N 0.82 0.46 -0.18 3.77 0.00 -1.89 -1.65 119.26 120.59 2b4a h ALA 38 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2b4a h ALA 38 Cb 1.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2b4a h ALA 38 CO 0.12 -0.23 0.11 0.35 0.00 0.00 0.00 179.25 179.61 2b4a h PHE 39 N 0.33 0.21 -0.02 0.00 3.57 -1.00 -2.94 116.94 117.09 2b4a h PHE 39 Ca 0.17 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2b4a h PHE 39 Cb 0.13 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2b4a h PHE 39 CO -0.13 0.13 -0.14 0.35 -2.23 0.00 0.00 178.31 176.30 2b4a h PHE 40 N 0.23 -0.35 0.00 0.41 3.57 -0.80 -0.19 116.94 119.81 2b4a h PHE 40 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2b4a h PHE 40 Cb -0.02 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2b4a h PHE 40 CO -0.07 -0.20 0.00 0.00 -2.23 0.00 0.00 178.31 175.80 2b4a n GLN 41 N -5.27 0.15 -0.30 1.11 10.64 -0.63 -0.51 117.38 122.57 2b4a n GLN 41 Ca -0.05 0.57 0.07 0.00 -1.83 0.00 0.00 57.00 55.76 2b4a n GLN 41 Cb 0.19 -1.93 0.20 0.00 -0.86 0.00 0.00 30.24 27.84 2b4a n GLN 41 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2b4a n HIS 42 N -2.24 0.65 -0.16 2.61 8.25 -0.68 -4.75 115.22 118.91 2b4a n HIS 42 Ca -0.00 -0.75 0.05 0.00 -0.26 0.00 0.00 57.72 56.76 2b4a n HIS 42 Cb 0.09 -0.20 0.10 0.00 1.12 0.00 0.00 29.99 31.11 2b4a n HIS 42 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2b4a n ARG 43 N -0.28 -0.04 0.25 -0.41 1.74 0.33 -1.15 116.66 117.10 2b4a n ARG 43 Ca 0.17 0.69 0.10 0.00 -0.77 0.00 0.00 57.85 58.03 2b4a n ARG 43 Cb 0.69 -1.06 0.66 0.00 -1.02 0.00 0.00 32.46 31.72 2b4a n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2b4a h SER 44 N 0.00 0.00 -0.09 0.55 4.64 -1.85 -2.46 113.55 114.34 2b4a h SER 44 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2b4a h SER 44 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2b4a h SER 44 CO -0.44 0.14 0.00 0.00 -0.87 0.00 0.00 176.83 175.66 2b4a n GLN 45 N -3.89 1.22 0.03 4.77 6.02 -0.30 -3.52 117.38 121.71 2b4a n GLN 45 Ca -0.02 -0.35 0.13 0.00 -0.01 0.00 0.00 57.00 56.76 2b4a n GLN 45 Cb 0.23 -1.09 0.55 0.00 1.02 0.00 0.00 30.24 30.96 2b4a n GLN 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2b4a n LEU 46 N -0.23 0.21 0.12 1.08 4.32 -0.93 -3.02 117.00 118.55 2b4a n LEU 46 Ca 0.04 0.52 0.12 0.00 -0.02 0.00 0.00 56.01 56.67 2b4a n LEU 46 Cb 0.09 -0.46 0.46 0.00 -1.62 0.00 0.00 43.42 41.89 2b4a n LEU 46 CO 0.03 -0.06 0.87 -1.20 -1.22 0.00 0.00 177.39 175.81 2b4a n SER 47 N -1.70 0.71 -0.30 -1.43 7.64 -1.23 -2.98 113.62 114.33 2b4a n SER 47 Ca 0.06 0.62 0.05 0.00 1.01 0.00 0.00 58.87 60.62 2b4a n SER 47 Cb 0.36 -0.79 0.02 0.00 -1.01 0.00 0.00 64.21 62.78 2b4a n SER 47 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2b4a n THR 48 N -2.23 0.00 -2.86 0.44 -2.24 -1.17 -4.83 114.28 101.39 2b4a n THR 48 Ca 0.04 -0.45 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 2b4a n THR 48 Cb 0.31 1.15 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 2b4a n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b4a h ASP 50 N 5.39 0.41 -3.48 0.00 3.32 -0.37 -3.39 116.42 118.31 2b4a h ASP 50 Ca -0.44 -0.82 -0.28 0.00 0.02 0.00 0.00 57.03 55.51 2b4a h ASP 50 Cb 1.21 -0.13 -0.33 0.00 0.22 0.00 0.00 39.33 40.29 2b4a h ASP 50 CO 0.71 1.73 -0.68 -0.22 -1.72 0.00 0.00 179.24 179.05 2b4a s LEU 51 N -6.99 0.90 -0.24 1.55 2.96 -1.00 -2.60 118.68 113.27 2b4a s LEU 51 Ca -0.18 0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2b4a s LEU 51 Cb 0.06 0.09 -0.02 0.00 0.50 0.00 0.00 46.19 46.83 2b4a s LEU 51 CO 0.80 -0.14 0.02 -0.22 -1.32 0.00 0.00 176.35 175.49 2b4a s LEU 52 N 1.16 3.20 -0.24 -0.68 2.96 0.12 -1.01 118.68 124.18 2b4a s LEU 52 Ca -0.09 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2b4a s LEU 52 Cb -0.12 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2b4a s LEU 52 CO -0.04 -0.03 0.08 -0.63 -1.32 0.00 0.00 176.35 174.40 2b4a s ILE 53 N 1.55 4.45 0.01 6.68 1.01 0.50 -0.02 121.20 135.38 2b4a s ILE 53 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.62 2b4a s ILE 53 Cb -0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 2b4a s ILE 53 CO 0.00 0.35 -0.11 0.68 0.00 0.00 0.00 174.94 175.86 2b4a s VAL 54 N 1.48 0.85 0.25 2.92 -7.23 -0.49 -0.22 120.40 117.96 2b4a s VAL 54 Ca 0.06 -0.68 -0.28 0.00 -1.81 0.00 0.00 61.98 59.27 2b4a s VAL 54 Cb -0.15 -0.75 -0.09 0.00 0.56 0.00 0.00 36.38 35.95 2b4a s VAL 54 CO 0.04 0.08 0.91 -0.55 -0.31 0.00 0.00 175.10 175.27 2b4a s SER 55 N -0.68 7.49 0.25 4.85 0.15 -0.66 -1.14 113.70 123.96 2b4a s SER 55 Ca 0.01 1.84 0.21 0.00 0.70 0.00 0.00 55.95 58.71 2b4a s SER 55 Cb -0.06 -2.57 0.97 0.00 -1.71 0.00 0.00 66.02 62.64 2b4a s SER 55 CO 0.00 0.09 1.63 -0.67 1.20 0.00 0.00 173.24 175.49 2b4a n ASP 56 N 1.18 0.54 -2.69 5.45 2.03 -0.75 -3.89 116.55 118.42 2b4a n ASP 56 Ca -0.01 0.68 -0.07 0.00 0.52 0.00 0.00 54.79 55.90 2b4a n ASP 56 Cb 0.48 -0.78 0.05 0.00 -0.72 0.00 0.00 41.12 40.15 2b4a n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2b4a n GLN 57 N -2.15 1.23 -1.90 -0.67 10.64 -1.26 -4.45 117.38 118.83 2b4a n GLN 57 Ca 0.01 -3.04 -0.41 0.00 -1.83 0.00 0.00 57.00 51.73 2b4a n GLN 57 Cb 0.14 -1.09 -0.01 0.00 -0.86 0.00 0.00 30.24 28.42 2b4a n GLN 57 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2b4a s LEU 58 N -3.25 4.35 0.56 2.61 1.43 -1.25 -4.89 118.68 118.24 2b4a s LEU 58 Ca 0.26 2.92 0.34 0.00 -1.03 0.00 0.00 54.13 56.62 2b4a s LEU 58 Cb 0.43 -3.66 1.45 0.00 0.03 0.00 0.00 46.19 44.44 2b4a s LEU 58 CO 0.01 -0.78 2.02 -0.37 0.23 0.00 0.00 176.35 177.45 2b4a h VAL 59 N 3.07 0.03 0.00 -1.59 -1.51 -1.97 -3.25 116.25 111.03 2b4a h VAL 59 Ca -0.50 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2b4a h VAL 59 Cb 1.23 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2b4a h VAL 59 CO 0.67 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 176.12 2b4a n ASP 60 N -3.11 1.20 -3.69 4.19 5.75 -1.26 -5.00 116.55 114.63 2b4a n ASP 60 Ca 0.00 -1.25 -0.11 0.00 -0.01 0.00 0.00 54.79 53.42 2b4a n ASP 60 Cb 0.29 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.28 2b4a n ASP 60 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2b4a s LEU 61 N -0.25 -0.22 0.46 -2.12 2.96 -1.23 -4.75 118.68 113.54 2b4a s LEU 61 Ca 0.00 1.06 -0.20 0.00 -0.22 0.00 0.00 54.13 54.77 2b4a s LEU 61 Cb 0.00 1.68 -0.10 0.00 0.50 0.00 0.00 46.19 48.27 2b4a s LEU 61 CO 0.00 -0.20 0.99 -0.94 -1.32 0.00 0.00 176.35 174.88 2b4a s SER 62 N 1.10 6.64 0.47 3.68 1.04 -1.26 -4.08 113.70 121.29 2b4a s SER 62 Ca -0.07 1.78 0.17 0.00 0.48 0.00 0.00 55.95 58.31 2b4a s SER 62 Cb -0.06 -2.55 1.16 0.00 0.10 0.00 0.00 66.02 64.67 2b4a s SER 62 CO -0.10 -0.57 2.02 -0.29 0.98 0.00 0.00 173.24 175.28 2b4a h ILE 63 N 1.65 0.89 -0.19 -1.02 6.09 -1.86 0.30 117.51 123.36 2b4a h ILE 63 Ca -0.49 -0.08 -0.03 0.00 -1.37 0.00 0.00 64.86 62.89 2b4a h ILE 63 Cb 1.20 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 2b4a h ILE 63 CO 0.60 0.04 0.01 -0.26 -3.07 0.00 0.00 178.15 175.47 2b4a h PHE 64 N 0.24 0.36 -0.33 2.19 0.04 -1.95 0.72 116.94 118.21 2b4a h PHE 64 Ca 0.21 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 2b4a h PHE 64 Cb 0.52 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2b4a h PHE 64 CO -0.00 0.52 0.16 0.77 -0.60 0.00 0.00 178.31 179.16 2b4a h SER 65 N 0.10 0.43 -0.10 2.17 0.02 -1.81 -0.85 113.55 113.51 2b4a h SER 65 Ca 0.06 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2b4a h SER 65 Cb 0.37 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2b4a h SER 65 CO 0.01 0.42 -0.08 0.25 -1.14 0.00 0.00 176.83 176.29 2b4a h LEU 66 N 0.40 -0.25 -1.69 5.07 6.46 -0.85 -1.05 115.31 123.39 2b4a h LEU 66 Ca 0.11 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2b4a h LEU 66 Cb 0.11 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2b4a h LEU 66 CO -0.02 -0.11 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.44 2b4a h LEU 67 N -0.09 0.00 -0.10 2.25 3.38 -0.65 -1.04 115.31 119.06 2b4a h LEU 67 Ca 0.07 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2b4a h LEU 67 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2b4a h LEU 67 CO -0.15 0.18 -0.62 0.44 0.09 0.00 0.00 178.44 178.38 2b4a h ASP 68 N 0.00 0.00 -0.21 -0.43 3.32 -0.60 -2.49 116.42 116.01 2b4a h ASP 68 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 2b4a h ASP 68 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2b4a h ASP 68 CO 0.02 0.62 -0.63 0.40 -1.72 0.00 0.00 179.24 177.93 2b4a h ILE 69 N 0.00 1.28 -0.75 0.35 2.04 -0.47 -3.09 117.51 116.87 2b4a h ILE 69 Ca -0.01 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 2b4a h ILE 69 Cb 1.44 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 39.25 2b4a h ILE 69 CO 0.08 0.59 0.35 0.58 0.00 0.00 0.00 178.15 179.75 2b4a h VAL 70 N 0.61 1.24 0.00 1.67 2.07 -1.14 -2.71 116.25 117.98 2b4a h VAL 70 Ca -0.01 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2b4a h VAL 70 Cb 1.24 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2b4a h VAL 70 CO 0.13 0.29 0.00 0.11 0.02 0.00 0.00 177.57 178.12 2b4a h LYS 71 N 1.07 0.00 0.00 1.57 1.57 -1.42 -2.03 116.57 117.33 2b4a h LYS 71 Ca 0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2b4a h LYS 71 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2b4a h LYS 71 CO -0.03 0.00 -0.23 0.93 -0.57 0.00 0.00 179.45 179.55 2b4a h GLU 72 N 0.00 0.00 -7.15 3.15 5.08 -1.40 -3.46 114.58 110.80 2b4a h GLU 72 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2b4a h GLU 72 Cb 0.28 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.59 2b4a h GLU 72 CO 0.00 0.23 0.39 -0.65 -1.00 0.00 0.00 179.01 177.97 2b4a s GLN 73 N -3.34 3.40 0.17 2.33 -1.52 -0.77 -4.98 119.66 114.95 2b4a s GLN 73 Ca 0.03 1.31 0.15 0.00 -1.95 0.00 0.00 55.36 54.90 2b4a s GLN 73 Cb 0.08 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 2b4a s GLN 73 CO 0.67 -0.76 1.18 1.79 -0.25 0.00 0.00 175.29 177.91 2b4a h THR 74 N 0.78 0.80 -3.22 -0.19 1.35 -1.90 -3.41 112.91 107.13 2b4a h THR 74 Ca -0.48 -2.25 -0.67 0.00 -0.55 0.00 0.00 66.41 62.46 2b4a h THR 74 Cb 1.23 2.31 -0.32 0.00 -1.73 0.00 0.00 68.15 69.64 2b4a h THR 74 CO 0.57 0.46 -0.81 -0.75 -0.25 0.00 0.00 175.52 174.74 2b4a s LYS 75 N -2.92 3.16 -0.12 4.72 2.20 -1.26 -5.12 119.74 120.40 2b4a s LYS 75 Ca 0.01 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 2b4a s LYS 75 Cb 0.08 -2.70 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2b4a s LYS 75 CO 0.78 -0.14 0.04 -0.65 -0.36 0.00 0.00 175.35 175.02 2b4a s GLN 76 N 1.19 3.38 0.84 4.03 -0.21 -1.26 -4.04 119.66 123.59 2b4a s GLN 76 Ca 0.02 -0.35 -0.12 0.00 0.02 0.00 0.00 55.36 54.94 2b4a s GLN 76 Cb -0.14 -2.99 0.10 0.00 1.00 0.00 0.00 33.01 30.98 2b4a s GLN 76 CO -0.06 0.57 1.11 -1.25 -2.12 0.00 0.00 175.29 173.54 2b4a s PRO 77 N -0.50 1.73 0.49 2.91 0.04 -1.26 -5.04 135.00 133.38 2b4a s PRO 77 Ca 0.10 0.57 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 2b4a s PRO 77 Cb -0.12 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 2b4a s PRO 77 CO 0.02 -1.85 1.39 -1.12 0.04 0.00 0.00 177.00 175.48 2b4a s SER 78 N -3.88 5.59 -0.05 6.66 0.01 -1.07 -4.87 113.70 116.10 2b4a s SER 78 Ca 0.62 2.84 0.06 0.00 1.31 0.00 0.00 55.95 60.78 2b4a s SER 78 Cb -0.15 -2.65 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 2b4a s SER 78 CO 0.54 -1.36 -0.22 -0.69 0.41 0.00 0.00 173.24 171.92 2b4a s VAL 79 N -1.25 1.82 -0.16 3.43 1.01 0.05 -0.70 120.40 124.60 2b4a s VAL 79 Ca 0.66 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2b4a s VAL 79 Cb -0.42 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2b4a s VAL 79 CO 0.52 0.51 -0.16 -0.22 0.00 0.00 0.00 175.10 175.75 2b4a s LEU 80 N -0.18 1.85 -0.20 3.92 2.96 0.98 -0.98 118.68 127.03 2b4a s LEU 80 Ca -0.01 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 2b4a s LEU 80 Cb -0.12 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 2b4a s LEU 80 CO 0.02 -0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.39 2b4a s ILE 81 N 1.37 3.93 -0.30 6.68 1.01 -0.28 -1.39 121.20 132.22 2b4a s ILE 81 Ca 0.04 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 2b4a s ILE 81 Cb -0.13 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 2b4a s ILE 81 CO -0.11 0.43 0.62 -0.76 0.00 0.00 0.00 174.94 175.13 2b4a s LEU 82 N 0.94 4.13 0.26 2.97 1.43 -0.29 -1.27 118.68 126.85 2b4a s LEU 82 Ca 0.01 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 53.65 2b4a s LEU 82 Cb -0.14 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2b4a s LEU 82 CO 0.02 -0.45 -0.12 0.28 0.23 0.00 0.00 176.35 176.31 2b4a s THR 83 N 2.57 1.87 -0.04 5.49 -1.32 -0.72 -1.80 115.64 121.69 2b4a s THR 83 Ca 0.25 -2.21 -0.09 0.00 -1.21 0.00 0.00 61.69 58.43 2b4a s THR 83 Cb -0.15 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 68.52 2b4a s THR 83 CO 0.11 -0.42 -0.17 0.41 -2.21 0.00 0.00 174.62 172.34 2b4a n THR 84 N -0.53 1.35 0.00 5.08 -1.04 -1.26 -0.06 114.28 117.82 2b4a n THR 84 Ca -0.06 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2b4a n THR 84 Cb 0.62 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 2b4a n THR 84 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2b4a n GLY 85 N 2.52 -2.94 0.00 3.41 0.00 -1.26 -4.83 105.19 102.09 2b4a n GLY 85 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2b4a n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b4a n ARG 86 N -0.75 0.00 -3.15 1.61 5.12 -1.26 -5.16 116.66 113.07 2b4a n ARG 86 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 2b4a n ARG 86 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 2b4a n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2b4a s LEU 89 N 0.00 -0.10 -0.10 0.55 2.01 -1.26 -5.23 118.68 114.56 2b4a s LEU 89 Ca 0.00 0.04 -0.34 0.00 0.01 0.00 0.00 54.13 53.84 2b4a s LEU 89 Cb 0.00 1.07 -0.11 0.00 0.01 0.00 0.00 46.19 47.16 2b4a s LEU 89 CO 0.00 -0.02 1.91 -0.38 1.01 0.00 0.00 176.35 178.87 2b4a n ILE 90 N 5.34 0.58 -2.20 -0.59 -0.00 -1.26 -4.94 119.36 116.30 2b4a n ILE 90 Ca -0.03 -0.12 -0.41 0.00 -0.00 0.00 0.00 62.75 62.19 2b4a n ILE 90 Cb 0.56 -1.92 -0.03 0.00 -0.00 0.00 0.00 39.64 38.26 2b4a n ILE 90 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2b4a s GLU 91 N 4.25 3.10 0.17 0.38 1.03 -1.26 -5.00 118.70 121.36 2b4a s GLU 91 Ca 0.93 0.71 0.11 0.00 0.03 0.00 0.00 54.97 56.75 2b4a s GLU 91 Cb -0.67 -4.22 -0.04 0.00 -0.80 0.00 0.00 34.13 28.39 2b4a s GLU 91 CO 0.51 -2.17 -0.23 0.45 -1.33 0.00 0.00 175.26 172.49 2b4a s SER 92 N 5.93 3.54 0.00 0.83 0.15 -1.26 -5.05 113.70 117.83 2b4a s SER 92 Ca 0.63 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 56.57 2b4a s SER 92 Cb -0.14 -0.32 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 2b4a s SER 92 CO 0.25 0.14 0.62 -1.54 1.20 0.00 0.00 173.24 173.91 2b4a n SER 93 N 0.46 1.28 -4.80 5.45 3.41 -1.26 -4.82 113.62 113.34 2b4a n SER 93 Ca -0.14 -1.14 -0.34 0.00 -0.26 0.00 0.00 58.87 56.99 2b4a n SER 93 Cb 0.55 0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 2b4a n SER 93 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2b4a s GLU 94 N -0.87 3.99 -0.52 4.33 0.41 -1.26 -5.03 118.70 119.76 2b4a s GLU 94 Ca 0.07 1.33 0.03 0.00 -0.41 0.00 0.00 54.97 55.99 2b4a s GLU 94 Cb 0.06 -2.22 0.43 0.00 -1.78 0.00 0.00 34.13 30.62 2b4a s GLU 94 CO 0.14 -0.26 1.53 0.72 -0.49 0.00 0.00 175.26 176.90 2b4a n HIS 95 N -0.68 3.07 -0.70 1.61 8.25 -1.26 -4.62 115.22 120.89 2b4a n HIS 95 Ca 0.08 -2.66 0.02 0.00 -0.26 0.00 0.00 57.72 54.91 2b4a n HIS 95 Cb 0.52 -0.71 0.03 0.00 1.12 0.00 0.00 29.99 30.95 2b4a n HIS 95 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2b4a n ASN 96 N -0.68 1.41 -4.68 0.41 6.94 -1.26 -4.99 115.26 112.41 2b4a n ASN 96 Ca 0.49 -2.04 -0.38 0.00 -0.02 0.00 0.00 54.58 52.64 2b4a n ASN 96 Cb 0.69 -0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.91 2b4a n ASN 96 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2b4a s LEU 97 N -1.10 4.17 0.23 -4.53 1.43 -1.26 -0.77 118.68 116.85 2b4a s LEU 97 Ca 0.07 0.54 0.10 0.00 -1.03 0.00 0.00 54.13 53.81 2b4a s LEU 97 Cb 0.07 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2b4a s LEU 97 CO 0.01 -0.06 -0.17 -0.44 0.23 0.00 0.00 176.35 175.92 2b4a s SER 98 N 0.96 3.01 0.07 2.29 0.01 -0.15 -4.99 113.70 114.89 2b4a s SER 98 Ca 0.19 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.49 2b4a s SER 98 Cb -0.15 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 2b4a s SER 98 CO 0.08 -0.08 -0.14 -0.31 0.41 0.00 0.00 173.24 173.20 2b4a s TYR 99 N -2.74 1.24 -0.11 2.43 1.51 -1.26 -1.12 117.35 117.29 2b4a s TYR 99 Ca 0.25 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2b4a s TYR 99 Cb -0.03 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2b4a s TYR 99 CO 0.10 0.06 0.04 -1.17 -1.11 0.00 0.00 175.55 173.47 2b4a s LEU 100 N -1.64 0.58 -0.25 -1.29 2.96 -0.40 -4.89 118.68 113.75 2b4a s LEU 100 Ca -0.01 -0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.32 2b4a s LEU 100 Cb -0.10 -0.38 0.01 0.00 0.50 0.00 0.00 46.19 46.23 2b4a s LEU 100 CO 0.02 -0.26 1.00 -1.58 -1.32 0.00 0.00 176.35 174.21 2b4a s GLN 101 N 2.02 4.19 0.35 1.98 0.74 -1.26 -1.75 119.66 125.93 2b4a s GLN 101 Ca 0.03 1.19 -0.25 0.00 0.05 0.00 0.00 55.36 56.38 2b4a s GLN 101 Cb -0.14 -3.67 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 2b4a s GLN 101 CO -0.06 -0.67 0.97 0.15 -0.55 0.00 0.00 175.29 175.13 2b4a s LYS 102 N 3.22 4.46 0.25 1.67 1.02 0.92 -3.16 119.74 128.11 2b4a s LYS 102 Ca 0.42 1.34 -0.31 0.00 0.02 0.00 0.00 55.97 57.44 2b4a s LYS 102 Cb -0.14 -2.67 -0.12 0.00 -0.52 0.00 0.00 37.83 34.37 2b4a s LYS 102 CO 0.08 0.16 1.60 -2.30 -0.92 0.00 0.00 175.35 173.98 2b4a n PRO 103 N 0.28 2.57 -4.37 -1.68 -0.03 -1.26 -4.60 135.00 125.91 2b4a n PRO 103 Ca 0.03 0.92 -0.23 0.00 -0.03 0.00 0.00 63.50 64.19 2b4a n PRO 103 Cb 0.50 -2.70 -0.11 0.00 -0.03 0.00 0.00 33.50 31.16 2b4a n PRO 103 CO 0.00 0.00 0.00 -0.59 -0.03 0.00 0.00 175.50 174.88 2b4a s PHE 104 N 0.40 1.98 0.39 6.00 -0.12 -1.19 -5.13 117.98 120.31 2b4a s PHE 104 Ca 0.69 -0.43 -0.24 0.00 -0.05 0.00 0.00 56.93 56.90 2b4a s PHE 104 Cb -0.54 -0.97 -0.10 0.00 -0.63 0.00 0.00 43.02 40.78 2b4a s PHE 104 CO 0.43 0.41 1.00 0.00 -0.05 0.00 0.00 175.22 177.00 2b4a s ALA 105 N -2.01 3.09 0.35 1.99 0.00 -1.26 -4.95 121.76 118.97 2b4a s ALA 105 Ca 0.18 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.76 2b4a s ALA 105 Cb -0.06 -3.22 0.65 0.00 0.00 0.00 0.00 23.12 20.50 2b4a s ALA 105 CO 0.08 -0.03 1.94 0.82 0.00 0.00 0.00 175.76 178.56 2b4a h ILE 106 N 2.19 1.17 -0.73 0.00 1.08 -2.00 -2.36 117.51 116.87 2b4a h ILE 106 Ca -0.48 -0.57 0.03 0.00 -0.39 0.00 0.00 64.86 63.45 2b4a h ILE 106 Cb 1.20 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 2b4a h ILE 106 CO 0.62 0.21 0.48 0.77 -0.69 0.00 0.00 178.15 179.55 2b4a h SER 107 N 0.59 0.78 -0.44 1.72 4.64 -1.99 -1.72 113.55 117.13 2b4a h SER 107 Ca 0.14 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.35 2b4a h SER 107 Cb 0.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2b4a h SER 107 CO -0.01 0.54 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.02 2b4a h GLU 108 N 0.90 0.87 -0.44 4.77 5.08 -1.82 -0.31 114.58 123.63 2b4a h GLU 108 Ca 0.29 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2b4a h GLU 108 Cb 0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2b4a h GLU 108 CO -0.08 0.99 0.27 1.25 -1.00 0.00 0.00 179.01 180.44 2b4a h LEU 109 N 0.70 0.44 -0.31 1.33 5.85 -1.31 -1.69 115.31 120.32 2b4a h LEU 109 Ca 0.11 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 2b4a h LEU 109 Cb 0.69 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2b4a h LEU 109 CO 0.05 0.31 -0.83 0.03 -0.34 0.00 0.00 178.44 177.66 2b4a h ARG 110 N 0.54 0.00 -0.18 1.25 3.08 -1.16 -1.41 114.38 116.50 2b4a h ARG 110 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2b4a h ARG 110 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2b4a h ARG 110 CO -0.07 0.83 0.04 0.00 -1.07 0.00 0.00 179.97 179.70 2b4a h ALA 111 N 1.17 0.24 -0.10 0.04 0.00 -0.97 -2.00 119.26 117.63 2b4a h ALA 111 Ca -0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2b4a h ALA 111 Cb 1.49 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 2b4a h ALA 111 CO 0.11 -0.11 -0.40 0.00 0.00 0.00 0.00 179.25 178.85 2b4a h ALA 112 N 0.85 -0.57 -0.21 0.00 0.00 -1.06 0.78 119.26 119.04 2b4a h ALA 112 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2b4a h ALA 112 Cb 0.28 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2b4a h ALA 112 CO 0.00 -0.91 0.12 0.82 0.00 0.00 0.00 179.25 179.29 2b4a h ILE 113 N -0.49 1.09 -0.67 0.00 2.04 -1.28 -2.66 117.51 115.54 2b4a h ILE 113 Ca 0.07 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2b4a h ILE 113 Cb 0.62 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 2b4a h ILE 113 CO -0.37 0.09 0.43 0.44 0.00 0.00 0.00 178.15 178.74 2b4a h ASP 114 N 0.25 0.78 0.32 1.72 3.45 -0.95 -2.16 116.42 119.82 2b4a h ASP 114 Ca 0.07 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.51 2b4a h ASP 114 Cb 0.04 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.61 2b4a h ASP 114 CO -0.01 0.58 0.00 -1.22 -1.57 0.00 0.00 179.24 177.02 2b4a n TYR 115 N -4.42 0.00 0.33 4.55 4.01 0.23 -2.36 117.16 119.50 2b4a n TYR 115 Ca 0.07 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.89 2b4a n TYR 115 Cb 0.05 -0.26 0.14 0.00 -0.31 0.00 0.00 39.34 38.96 2b4a n TYR 115 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2b4a n HIS 116 N -1.26 0.28 -2.28 -0.72 8.25 -0.82 -4.99 115.22 113.69 2b4a n HIS 116 Ca 0.09 -0.20 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 2b4a n HIS 116 Cb 0.14 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2b4a n HIS 116 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2b4a s LYS 117 N -1.26 3.98 0.67 -0.41 1.02 -0.99 -4.88 119.74 117.87 2b4a s LYS 117 Ca 0.26 1.84 -0.17 0.00 0.02 0.00 0.00 55.97 57.92 2b4a s LYS 117 Cb 0.16 -2.62 -0.14 0.00 -0.52 0.00 0.00 37.83 34.71 2b4a s LYS 117 CO 0.23 -0.38 -0.37 -2.30 -0.92 0.00 0.00 175.35 171.61 2b4a n PRO 118 N -0.05 0.00 0.00 -1.68 -0.02 -1.26 -5.09 135.00 126.90 2b4a n PRO 118 Ca 0.05 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 2b4a n PRO 118 Cb 0.47 -0.96 0.14 0.00 -0.02 0.00 0.00 33.50 33.12 2b4a n PRO 118 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91