#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2y s VAL 2 N 0.00 4.39 0.03 -0.39 1.01 -1.26 -3.95 120.40 120.22 1a2y s VAL 2 Ca 0.00 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.69 1a2y s VAL 2 Cb 0.00 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1a2y s VAL 2 CO 0.00 -0.01 -0.06 -1.10 0.00 0.00 0.00 175.10 173.93 1a2y s GLN 3 N 2.28 0.44 -0.01 2.72 -0.21 -0.68 -5.01 119.66 119.19 1a2y s GLN 3 Ca 0.54 -0.57 0.01 0.00 0.02 0.00 0.00 55.36 55.36 1a2y s GLN 3 Cb -0.23 -0.23 0.01 0.00 1.00 0.00 0.00 33.01 33.56 1a2y s GLN 3 CO 0.20 0.04 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.89 1a2y s LEU 4 N -1.16 1.73 -0.06 2.90 1.02 -1.26 -1.64 118.68 120.21 1a2y s LEU 4 Ca -0.08 -0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.01 1a2y s LEU 4 Cb -0.08 -0.15 0.04 0.00 0.02 0.00 0.00 46.19 46.02 1a2y s LEU 4 CO 0.00 -0.01 0.11 -1.10 0.02 0.00 0.00 176.35 175.37 1a2y s GLN 5 N 0.30 0.03 0.22 1.70 -0.21 -0.60 -4.28 119.66 116.81 1a2y s GLN 5 Ca -0.03 0.37 -0.11 0.00 0.02 0.00 0.00 55.36 55.62 1a2y s GLN 5 Cb -0.05 -0.25 -0.07 0.00 1.00 0.00 0.00 33.01 33.64 1a2y s GLN 5 CO -0.01 -0.22 0.56 -1.21 -2.12 0.00 0.00 175.29 172.29 1a2y s GLU 6 N 1.51 3.84 -0.03 2.91 8.01 -1.26 -1.36 118.70 132.32 1a2y s GLU 6 Ca -0.05 0.32 -0.01 0.00 0.01 0.00 0.00 54.97 55.24 1a2y s GLU 6 Cb -0.12 -2.68 0.03 0.00 -4.31 0.00 0.00 34.13 27.05 1a2y s GLU 6 CO -0.05 0.34 0.04 -1.12 0.01 0.00 0.00 175.26 174.48 1a2y s SER 7 N -2.25 0.62 0.33 -0.19 0.01 0.00 -4.85 113.70 107.37 1a2y s SER 7 Ca 0.46 0.05 0.07 0.00 1.31 0.00 0.00 55.95 57.85 1a2y s SER 7 Cb -0.12 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1a2y s SER 7 CO 0.21 -0.19 0.27 0.61 0.41 0.00 0.00 173.24 174.55 1a2y n GLY 8 N 4.73 2.95 0.16 3.44 0.00 -1.26 -1.29 105.19 113.93 1a2y n GLY 8 Ca -0.16 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.10 1a2y n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a2y n PRO 9 N -0.64 0.78 0.00 1.61 -0.04 -1.26 -4.98 135.00 130.47 1a2y n PRO 9 Ca 0.07 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1a2y n PRO 9 Cb 0.59 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1a2y n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a2y n GLY 10 N 1.28 0.89 3.29 0.55 0.00 -1.26 -4.69 105.19 105.26 1a2y n GLY 10 Ca 0.14 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1a2y n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a2y s LEU 11 N 0.00 2.35 0.01 0.99 2.96 -1.26 -1.03 118.68 122.69 1a2y s LEU 11 Ca 0.00 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1a2y s LEU 11 Cb 0.00 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1a2y s LEU 11 CO 0.00 0.18 -0.04 0.68 -1.32 0.00 0.00 176.35 175.85 1a2y s VAL 12 N 0.22 0.33 0.29 1.68 -7.23 -1.06 -5.00 120.40 109.63 1a2y s VAL 12 Ca -0.12 -0.35 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 1a2y s VAL 12 Cb -0.16 -0.32 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 1a2y s VAL 12 CO 0.07 -0.02 0.84 0.00 -0.31 0.00 0.00 175.10 175.68 1a2y s ALA 13 N -0.37 3.28 -0.52 1.32 0.00 -1.26 -1.36 121.76 122.85 1a2y s ALA 13 Ca -0.01 0.33 0.10 0.00 0.00 0.00 0.00 51.96 52.38 1a2y s ALA 13 Cb -0.03 -3.00 0.55 0.00 0.00 0.00 0.00 23.12 20.63 1a2y s ALA 13 CO -0.00 0.24 1.28 -2.30 0.00 0.00 0.00 175.76 174.98 1a2y n PRO 14 N 0.43 0.07 0.08 0.00 -0.02 -1.26 -0.71 135.00 133.58 1a2y n PRO 14 Ca 0.01 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1a2y n PRO 14 Cb 0.51 -1.77 0.16 0.00 -0.02 0.00 0.00 33.50 32.37 1a2y n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a2y h SER 15 N 0.00 0.00 -1.17 2.55 4.64 -1.91 -3.39 113.55 114.27 1a2y h SER 15 Ca 0.00 -0.16 -0.57 0.00 -0.47 0.00 0.00 61.79 60.59 1a2y h SER 15 Cb 0.11 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.13 1a2y h SER 15 CO 0.00 0.08 -0.41 0.00 -0.87 0.00 0.00 176.83 175.63 1a2y s GLN 16 N -3.20 2.29 0.27 4.77 -2.07 0.11 -5.06 119.66 116.78 1a2y s GLN 16 Ca 0.05 -1.88 0.06 0.00 -1.82 0.00 0.00 55.36 51.77 1a2y s GLN 16 Cb 0.12 -2.06 -0.02 0.00 -1.09 0.00 0.00 33.01 29.96 1a2y s GLN 16 CO 0.72 -0.31 0.39 -1.54 -1.32 0.00 0.00 175.29 173.24 1a2y s SER 17 N -4.06 6.15 -0.14 12.60 1.04 -1.26 -4.60 113.70 123.43 1a2y s SER 17 Ca 0.38 -0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.66 1a2y s SER 17 Cb 0.00 -1.61 -0.05 0.00 0.10 0.00 0.00 66.02 64.46 1a2y s SER 17 CO 0.22 -0.19 0.21 -0.22 0.98 0.00 0.00 173.24 174.24 1a2y s LEU 18 N -4.04 4.31 -0.05 2.42 1.98 0.31 -4.97 118.68 118.65 1a2y s LEU 18 Ca 0.38 0.48 -0.02 0.00 -2.89 0.00 0.00 54.13 52.07 1a2y s LEU 18 Cb -0.09 -2.23 0.03 0.00 0.66 0.00 0.00 46.19 44.56 1a2y s LEU 18 CO 0.29 0.25 0.06 -0.44 -1.89 0.00 0.00 176.35 174.62 1a2y s SER 19 N -0.23 1.20 -0.01 3.68 0.01 -1.26 -1.24 113.70 115.86 1a2y s SER 19 Ca 0.15 0.05 0.05 0.00 1.31 0.00 0.00 55.95 57.50 1a2y s SER 19 Cb -0.13 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1a2y s SER 19 CO 0.03 -0.25 -0.15 -0.63 0.41 0.00 0.00 173.24 172.65 1a2y s ILE 20 N 2.16 1.22 -0.02 1.44 1.01 -0.40 -4.37 121.20 122.24 1a2y s ILE 20 Ca 0.05 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1a2y s ILE 20 Cb -0.12 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 1a2y s ILE 20 CO -0.03 0.35 -0.07 -0.89 0.00 0.00 0.00 174.94 174.29 1a2y s THR 21 N -0.35 3.63 -0.24 2.92 2.01 -0.41 -1.41 115.64 121.78 1a2y s THR 21 Ca 0.06 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1a2y s THR 21 Cb -0.06 -2.55 0.05 0.00 0.01 0.00 0.00 72.50 69.96 1a2y s THR 21 CO -0.01 0.46 -0.12 0.00 -0.69 0.00 0.00 174.62 174.26 1a2y s THR 23 N 1.17 5.28 0.29 0.00 2.01 -0.46 -1.17 115.64 122.76 1a2y s THR 23 Ca -0.06 0.41 0.11 0.00 0.31 0.00 0.00 61.69 62.45 1a2y s THR 23 Cb -0.19 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1a2y s THR 23 CO -0.06 0.29 -0.10 0.68 -0.69 0.00 0.00 174.62 174.74 1a2y s VAL 24 N 1.24 2.74 0.08 3.82 -7.23 -0.54 -1.56 120.40 118.96 1a2y s VAL 24 Ca 0.12 -2.18 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 1a2y s VAL 24 Cb -0.14 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.26 1a2y s VAL 24 CO 0.06 -0.34 0.41 -0.94 -0.31 0.00 0.00 175.10 173.99 1a2y s SER 25 N -3.60 -0.27 0.00 4.85 1.04 -0.65 -4.84 113.70 110.22 1a2y s SER 25 Ca 0.32 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1a2y s SER 25 Cb -0.04 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1a2y s SER 25 CO 0.17 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1a2y n GLY 26 N 0.14 0.76 3.59 7.32 0.00 -1.25 -1.68 105.19 114.07 1a2y n GLY 26 Ca -0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1a2y n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a2y s PHE 27 N -2.91 -0.36 -0.12 1.61 -0.71 -1.26 -4.61 117.98 109.62 1a2y s PHE 27 Ca 0.00 0.08 -0.13 0.00 -1.04 0.00 0.00 56.93 55.84 1a2y s PHE 27 Cb 0.00 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.37 1a2y s PHE 27 CO 0.00 -0.90 0.30 0.45 -1.34 0.00 0.00 175.22 173.73 1a2y s SER 28 N -2.77 6.51 0.44 1.98 0.15 -1.26 -4.99 113.70 113.76 1a2y s SER 28 Ca 0.06 0.60 0.30 0.00 0.70 0.00 0.00 55.95 57.61 1a2y s SER 28 Cb -0.02 -2.18 1.46 0.00 -1.71 0.00 0.00 66.02 63.56 1a2y s SER 28 CO -0.05 0.18 1.92 -0.07 1.20 0.00 0.00 173.24 176.42 1a2y h LEU 29 N 6.07 0.00 -1.02 3.45 3.38 -1.88 -2.51 115.31 122.80 1a2y h LEU 29 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1a2y h LEU 29 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1a2y h LEU 29 CO 0.71 0.00 -0.10 0.71 0.09 0.00 0.00 178.44 179.85 1a2y h THR 30 N 0.00 0.23 -0.02 0.22 1.35 -1.94 -3.29 112.91 109.45 1a2y h THR 30 Ca 0.00 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1a2y h THR 30 Cb 0.23 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1a2y h THR 30 CO 0.00 0.10 -0.02 0.61 -0.25 0.00 0.00 175.52 175.96 1a2y n GLY 31 N 0.32 0.42 3.11 5.82 0.00 -0.94 -4.40 105.19 109.51 1a2y n GLY 31 Ca 0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1a2y n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a2y s TYR 32 N -1.59 0.24 0.38 1.61 1.51 -1.24 -4.91 117.35 113.35 1a2y s TYR 32 Ca 0.21 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1a2y s TYR 32 Cb 0.16 -0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 1a2y s TYR 32 CO 0.25 -0.36 0.58 0.20 -1.11 0.00 0.00 175.55 175.10 1a2y s GLY 33 N -2.20 1.45 -0.08 0.71 0.00 -1.18 -3.26 107.32 102.76 1a2y s GLY 33 Ca -0.04 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 43.64 1a2y s GLY 33 CO -0.05 -0.95 -0.08 0.14 0.00 0.00 0.00 173.10 172.16 1a2y s VAL 34 N -2.37 0.91 0.12 1.40 1.01 -0.44 -1.36 120.40 119.66 1a2y s VAL 34 Ca 0.43 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1a2y s VAL 34 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1a2y s VAL 34 CO 0.36 0.32 0.12 0.20 0.00 0.00 0.00 175.10 176.10 1a2y s ASN 35 N 1.14 5.64 -0.11 3.32 0.02 -0.07 -1.68 114.94 123.20 1a2y s ASN 35 Ca -0.06 -0.03 0.02 0.00 -1.02 0.00 0.00 52.86 51.77 1a2y s ASN 35 Cb -0.14 -1.53 -0.01 0.00 0.02 0.00 0.00 41.25 39.59 1a2y s ASN 35 CO -0.01 0.12 -0.16 0.26 0.02 0.00 0.00 177.10 177.33 1a2y s TRP 36 N -1.56 2.73 0.01 2.20 0.52 -0.34 -1.26 118.94 121.24 1a2y s TRP 36 Ca 0.31 -0.64 0.01 0.00 0.02 0.00 0.00 56.10 55.79 1a2y s TRP 36 Cb -0.11 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 1a2y s TRP 36 CO 0.23 -0.19 -0.04 0.08 0.02 0.00 0.00 176.95 177.05 1a2y s VAL 37 N 0.15 0.30 0.18 4.03 1.01 -0.56 -1.13 120.40 124.39 1a2y s VAL 37 Ca -0.08 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1a2y s VAL 37 Cb -0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1a2y s VAL 37 CO 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 175.10 174.90 1a2y s ARG 38 N -0.63 1.25 -0.21 2.72 1.70 -0.50 -0.22 118.95 123.04 1a2y s ARG 38 Ca -0.04 -1.53 -0.04 0.00 -0.47 0.00 0.00 55.73 53.65 1a2y s ARG 38 Cb -0.05 -1.01 0.10 0.00 -0.57 0.00 0.00 34.95 33.43 1a2y s ARG 38 CO -0.00 0.16 0.25 -1.14 -1.08 0.00 0.00 175.30 173.49 1a2y s GLN 39 N -3.56 0.22 0.57 3.89 0.74 -0.29 -1.14 119.66 120.09 1a2y s GLN 39 Ca 0.20 0.23 -0.19 0.00 0.05 0.00 0.00 55.36 55.65 1a2y s GLN 39 Cb -0.01 -1.09 -0.05 0.00 1.10 0.00 0.00 33.01 32.97 1a2y s GLN 39 CO 0.05 -0.67 1.18 -2.14 -0.55 0.00 0.00 175.29 173.16 1a2y s PRO 40 N 2.36 3.14 0.16 1.67 0.02 -1.26 -1.66 135.00 139.42 1a2y s PRO 40 Ca 0.08 1.75 -0.34 0.00 0.02 0.00 0.00 61.00 62.51 1a2y s PRO 40 Cb -0.16 -1.97 -0.14 0.00 0.02 0.00 0.00 34.50 32.25 1a2y s PRO 40 CO -0.13 -1.05 1.50 -0.35 -0.33 0.00 0.00 177.00 176.63 1a2y n PRO 41 N -1.45 1.91 -0.95 5.54 -0.04 -1.26 -1.01 135.00 137.74 1a2y n PRO 41 Ca 0.13 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1a2y n PRO 41 Cb 0.50 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1a2y n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a2y n GLY 42 N 3.03 0.38 1.02 0.55 0.00 -1.26 -4.98 105.19 103.92 1a2y n GLY 42 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 1a2y n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a2y n LYS 43 N -1.56 1.59 -1.58 1.61 4.76 -0.18 -5.16 118.16 117.64 1a2y n LYS 43 Ca 0.00 -1.02 -0.13 0.00 -2.87 0.00 0.00 58.31 54.29 1a2y n LYS 43 Cb 0.15 0.25 0.08 0.00 -1.84 0.00 0.00 35.03 33.66 1a2y n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a2y n GLY 44 N 3.29 0.32 3.80 0.72 0.00 -1.26 -4.70 105.19 107.36 1a2y n GLY 44 Ca -0.05 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 1a2y n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a2y s LEU 45 N 0.00 4.54 -0.07 0.99 1.43 -1.26 -4.20 118.68 120.11 1a2y s LEU 45 Ca 0.38 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.94 1a2y s LEU 45 Cb -0.02 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 43.08 1a2y s LEU 45 CO 0.25 0.22 -0.12 -0.70 0.23 0.00 0.00 176.35 176.24 1a2y s GLU 46 N -1.21 1.68 -0.03 1.70 2.12 -0.29 -5.00 118.70 117.67 1a2y s GLU 46 Ca 0.33 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 1a2y s GLU 46 Cb -0.21 -1.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.71 1a2y s GLU 46 CO 0.22 -0.02 0.95 -0.46 -0.54 0.00 0.00 175.26 175.42 1a2y s TRP 47 N 0.82 3.62 -0.26 5.30 -0.00 -1.26 -1.42 118.94 125.74 1a2y s TRP 47 Ca -0.12 1.63 -0.03 0.00 -0.00 0.00 0.00 56.10 57.58 1a2y s TRP 47 Cb -0.15 -3.10 -0.15 0.00 -0.00 0.00 0.00 33.47 30.07 1a2y s TRP 47 CO 0.02 -0.04 -0.27 1.28 -0.00 0.00 0.00 176.95 177.94 1a2y n LEU 48 N 4.09 2.64 0.00 5.86 4.77 -0.28 -4.64 117.00 129.44 1a2y n LEU 48 Ca 0.06 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1a2y n LEU 48 Cb 0.51 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1a2y n LEU 48 CO 0.51 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 1a2y n GLY 49 N 1.97 -1.64 3.41 -0.72 0.00 -1.19 -1.38 105.19 105.64 1a2y n GLY 49 Ca -0.48 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1a2y n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1a2y s MET 50 N -1.52 1.26 -0.11 1.61 0.23 -0.35 -1.19 119.30 119.22 1a2y s MET 50 Ca 0.00 -0.50 -0.00 0.00 -1.03 0.00 0.00 55.69 54.16 1a2y s MET 50 Cb 0.00 0.58 0.02 0.00 -1.53 0.00 0.00 34.83 33.90 1a2y s MET 50 CO 0.00 -0.54 -0.08 -1.50 -2.03 0.00 0.00 175.02 170.86 1a2y s ILE 51 N -3.76 1.07 0.84 3.16 2.07 -0.68 -2.25 121.20 121.66 1a2y s ILE 51 Ca 0.01 -0.33 -0.11 0.00 -1.41 0.00 0.00 60.65 58.81 1a2y s ILE 51 Cb -0.01 -1.07 0.10 0.00 0.13 0.00 0.00 42.46 41.61 1a2y s ILE 51 CO -0.13 0.37 1.09 0.26 -1.91 0.00 0.00 174.94 174.63 1a2y s TRP 52 N 1.59 2.54 0.39 3.50 0.52 -0.30 -1.33 118.94 125.85 1a2y s TRP 52 Ca 0.03 1.26 0.11 0.00 0.02 0.00 0.00 56.10 57.52 1a2y s TRP 52 Cb -0.13 -3.13 0.90 0.00 -1.15 0.00 0.00 33.47 29.97 1a2y s TRP 52 CO -0.07 -2.09 1.90 0.78 0.02 0.00 0.00 176.95 177.49 1a2y h GLY 53 N -1.33 0.96 0.30 0.98 0.00 -1.75 -0.92 103.07 101.32 1a2y h GLY 53 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1a2y h GLY 53 CO 0.56 0.10 0.00 2.09 0.00 0.00 0.00 176.54 179.28 1a2y n ASP 54 N -4.52 0.19 0.00 0.19 5.68 -1.26 -4.45 116.55 112.39 1a2y n ASP 54 Ca 0.15 -1.57 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1a2y n ASP 54 Cb 0.46 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1a2y n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a2y n GLY 55 N 0.77 1.35 3.77 6.12 0.00 -0.35 -5.06 105.19 111.80 1a2y n GLY 55 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1a2y n GLY 55 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a2y s ASN 56 N -2.83 5.65 0.16 1.61 -0.87 -1.26 -4.75 114.94 112.65 1a2y s ASN 56 Ca 0.00 2.18 0.09 0.00 -1.57 0.00 0.00 52.86 53.56 1a2y s ASN 56 Cb 0.00 -2.58 -0.04 0.00 -0.02 0.00 0.00 41.25 38.61 1a2y s ASN 56 CO 0.00 -1.27 -0.20 0.42 -2.57 0.00 0.00 177.10 173.48 1a2y s THR 57 N -1.79 1.95 -0.06 1.60 -4.23 -1.26 -1.15 115.64 110.70 1a2y s THR 57 Ca 0.73 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1a2y s THR 57 Cb -0.24 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.73 1a2y s THR 57 CO 0.28 -0.22 0.19 -1.81 -0.54 0.00 0.00 174.62 172.52 1a2y s ASP 58 N -2.56 -0.17 0.21 3.99 1.01 -0.95 -5.02 116.67 113.17 1a2y s ASP 58 Ca 0.16 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.78 1a2y s ASP 58 Cb -0.07 0.37 -0.05 0.00 1.01 0.00 0.00 42.92 44.18 1a2y s ASP 58 CO 0.07 -0.11 -0.07 -0.31 0.21 0.00 0.00 175.17 174.96 1a2y s TYR 59 N -0.11 1.57 0.26 4.23 2.02 -1.26 -1.21 117.35 122.84 1a2y s TYR 59 Ca -0.02 -0.77 -0.31 0.00 -0.37 0.00 0.00 57.07 55.61 1a2y s TYR 59 Cb -0.02 -0.84 -0.11 0.00 -0.40 0.00 0.00 41.96 40.58 1a2y s TYR 59 CO 0.01 0.13 1.61 1.21 -1.57 0.00 0.00 175.55 176.94 1a2y s ASN 60 N -3.29 6.42 0.12 2.29 3.84 -0.48 -4.88 114.94 118.96 1a2y s ASN 60 Ca 0.24 2.88 -0.22 0.00 0.21 0.00 0.00 52.86 55.97 1a2y s ASN 60 Cb 0.03 -2.62 -0.05 0.00 -0.55 0.00 0.00 41.25 38.06 1a2y s ASN 60 CO 0.06 -0.90 1.69 0.28 -2.79 0.00 0.00 177.10 175.44 1a2y h SER 61 N 5.52 -0.29 0.50 -4.21 0.02 -1.93 -0.54 113.55 112.62 1a2y h SER 61 Ca -0.46 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 1a2y h SER 61 Cb 1.21 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 1a2y h SER 61 CO 0.84 -0.12 -0.39 0.00 -1.14 0.00 0.00 176.83 176.02 1a2y h ALA 62 N 0.98 1.23 -0.01 3.77 0.00 -2.00 -3.25 119.26 119.99 1a2y h ALA 62 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1a2y h ALA 62 Cb 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a2y h ALA 62 CO -0.17 0.49 -0.65 1.28 0.00 0.00 0.00 179.25 180.20 1a2y n LEU 63 N -3.90 1.55 -0.29 0.00 4.77 -1.14 -4.64 117.00 113.35 1a2y n LEU 63 Ca -0.01 -0.61 0.11 0.00 -0.03 0.00 0.00 56.01 55.47 1a2y n LEU 63 Cb 0.45 -0.02 0.27 0.00 -2.33 0.00 0.00 43.42 41.79 1a2y n LEU 63 CO 0.38 0.31 0.98 0.50 -1.33 0.00 0.00 177.39 178.23 1a2y h LYS 64 N 1.41 0.28 0.00 3.23 3.64 -1.13 -1.76 116.57 122.25 1a2y h LYS 64 Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a2y h LYS 64 Cb 0.64 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1a2y h LYS 64 CO 0.00 0.19 -0.00 0.66 -2.27 0.00 0.00 179.45 178.03 1a2y h SER 65 N 0.29 0.00 -0.00 4.20 4.64 -1.84 -3.04 113.55 117.79 1a2y h SER 65 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1a2y h SER 65 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1a2y h SER 65 CO -0.57 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.28 1a2y n ARG 66 N -3.20 1.64 -4.36 4.77 1.85 -0.67 -5.02 116.66 111.67 1a2y n ARG 66 Ca -0.03 -2.37 -0.27 0.00 -1.00 0.00 0.00 57.85 54.18 1a2y n ARG 66 Cb 0.09 -1.41 -0.13 0.00 -1.05 0.00 0.00 32.46 29.97 1a2y n ARG 66 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1a2y s LEU 67 N -2.51 2.34 -0.15 2.89 1.43 -1.15 -1.45 118.68 120.08 1a2y s LEU 67 Ca 0.26 -0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 1a2y s LEU 67 Cb 0.23 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1a2y s LEU 67 CO 0.03 0.12 0.34 -0.55 0.23 0.00 0.00 176.35 176.52 1a2y s SER 68 N -2.13 -0.28 -0.05 2.29 0.15 -0.22 -4.95 113.70 108.51 1a2y s SER 68 Ca 0.13 0.76 0.06 0.00 0.70 0.00 0.00 55.95 57.60 1a2y s SER 68 Cb -0.09 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 64.95 1a2y s SER 68 CO 0.06 -0.20 -0.25 -0.63 1.20 0.00 0.00 173.24 173.42 1a2y s ILE 69 N 1.69 2.02 0.34 6.45 1.01 -1.26 -0.91 121.20 130.53 1a2y s ILE 69 Ca -0.07 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1a2y s ILE 69 Cb -0.10 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1a2y s ILE 69 CO -0.11 0.56 0.46 -0.94 0.00 0.00 0.00 174.94 174.91 1a2y s SER 70 N -0.25 0.96 0.22 3.58 1.04 -0.90 -5.00 113.70 113.36 1a2y s SER 70 Ca -0.01 -1.50 -0.20 0.00 0.48 0.00 0.00 55.95 54.72 1a2y s SER 70 Cb -0.13 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.68 1a2y s SER 70 CO 0.03 -1.27 0.62 -1.59 0.98 0.00 0.00 173.24 172.00 1a2y s LYS 71 N -3.11 1.53 -0.31 4.02 -2.85 -1.26 -0.89 119.74 116.88 1a2y s LYS 71 Ca 0.31 -0.84 0.01 0.00 -1.00 0.00 0.00 55.97 54.45 1a2y s LYS 71 Cb -0.00 0.57 0.10 0.00 -2.06 0.00 0.00 37.83 36.44 1a2y s LYS 71 CO 0.21 -0.68 0.07 0.34 0.10 0.00 0.00 175.35 175.39 1a2y s ASP 72 N -2.87 4.18 0.19 0.03 -1.08 -0.43 -5.01 116.67 111.68 1a2y s ASP 72 Ca 0.09 -1.71 -0.11 0.00 -0.52 0.00 0.00 52.55 50.29 1a2y s ASP 72 Cb -0.03 -1.08 0.18 0.00 -1.46 0.00 0.00 42.92 40.53 1a2y s ASP 72 CO -0.01 -0.39 1.81 0.78 0.52 0.00 0.00 175.17 177.88 1a2y h ASN 73 N 7.96 0.51 0.12 -0.34 2.35 -1.98 -2.19 115.58 122.01 1a2y h ASN 73 Ca -0.11 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1a2y h ASN 73 Cb 1.02 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.31 1a2y h ASN 73 CO 0.48 0.34 -0.10 0.28 -1.65 0.00 0.00 177.43 176.78 1a2y h SER 74 N 0.64 0.00 -0.18 5.81 0.02 -1.96 -2.77 113.55 115.11 1a2y h SER 74 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1a2y h SER 74 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1a2y h SER 74 CO -0.15 0.10 0.00 0.29 -1.14 0.00 0.00 176.83 175.93 1a2y n LYS 75 N -4.25 2.31 -3.79 3.45 5.02 -0.98 -4.99 118.16 114.93 1a2y n LYS 75 Ca -0.03 -2.03 -0.26 0.00 -2.02 0.00 0.00 58.31 53.97 1a2y n LYS 75 Cb 0.18 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1a2y n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a2y n SER 76 N 1.36 -3.38 -4.20 4.39 7.64 -0.86 -4.88 113.62 113.70 1a2y n SER 76 Ca 0.16 -0.77 -0.24 0.00 1.01 0.00 0.00 58.87 59.03 1a2y n SER 76 Cb 0.58 -4.07 -0.14 0.00 -1.01 0.00 0.00 64.21 59.57 1a2y n SER 76 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1a2y s GLN 77 N -6.31 1.27 -0.02 1.43 -0.21 -1.12 -1.46 119.66 113.24 1a2y s GLN 77 Ca 0.37 -0.80 0.06 0.00 0.02 0.00 0.00 55.36 55.01 1a2y s GLN 77 Cb -0.18 -1.31 -0.01 0.00 1.00 0.00 0.00 33.01 32.51 1a2y s GLN 77 CO 0.81 0.34 -0.19 0.08 -2.12 0.00 0.00 175.29 174.21 1a2y s VAL 78 N -0.69 1.51 -0.01 1.09 1.01 -0.32 -1.32 120.40 121.67 1a2y s VAL 78 Ca 0.06 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1a2y s VAL 78 Cb -0.08 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1a2y s VAL 78 CO 0.01 0.43 -0.25 -0.36 0.00 0.00 0.00 175.10 174.93 1a2y s PHE 79 N -0.33 2.25 -0.12 5.22 0.08 -0.07 -0.60 117.98 124.42 1a2y s PHE 79 Ca 0.04 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.70 1a2y s PHE 79 Cb -0.09 -1.43 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 1a2y s PHE 79 CO 0.00 -0.01 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.73 1a2y s LEU 80 N -0.68 1.98 -0.05 -0.37 2.96 -0.50 -2.11 118.68 119.90 1a2y s LEU 80 Ca 0.10 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1a2y s LEU 80 Cb -0.10 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 1a2y s LEU 80 CO -0.01 0.08 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.39 1a2y s LYS 81 N 0.74 1.92 -0.02 1.98 1.02 -0.09 -1.28 119.74 124.02 1a2y s LYS 81 Ca -0.10 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1a2y s LYS 81 Cb -0.16 -1.62 0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1a2y s LYS 81 CO 0.01 0.20 -0.03 1.41 -0.92 0.00 0.00 175.35 176.02 1a2y s MET 82 N 0.18 0.46 0.44 1.68 1.75 -0.37 -1.05 119.30 122.39 1a2y s MET 82 Ca -0.07 -0.08 0.05 0.00 -1.25 0.00 0.00 55.69 54.34 1a2y s MET 82 Cb -0.13 -0.51 -0.06 0.00 2.84 0.00 0.00 34.83 36.97 1a2y s MET 82 CO 0.03 -0.01 0.02 0.54 -0.65 0.00 0.00 175.02 174.95 1a2y s ASN 83 N 0.45 3.99 -1.16 1.11 2.20 -0.53 -0.53 114.94 120.48 1a2y s ASN 83 Ca -0.05 -1.44 -0.02 0.00 -0.94 0.00 0.00 52.86 50.41 1a2y s ASN 83 Cb -0.08 -0.12 -0.02 0.00 -2.00 0.00 0.00 41.25 39.03 1a2y s ASN 83 CO -0.01 -0.58 0.96 -1.20 -2.94 0.00 0.00 177.10 173.33 1a2y n SER 84 N -1.08 -3.34 -4.76 3.54 7.64 -1.26 -4.87 113.62 109.48 1a2y n SER 84 Ca -0.09 -0.66 -0.40 0.00 1.01 0.00 0.00 58.87 58.73 1a2y n SER 84 Cb 0.67 -5.07 0.02 0.00 -1.01 0.00 0.00 64.21 58.82 1a2y n SER 84 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a2y s LEU 85 N -6.11 4.08 0.16 -3.43 1.02 -1.26 -5.05 118.68 108.09 1a2y s LEU 85 Ca 0.14 2.90 0.04 0.00 0.02 0.00 0.00 54.13 57.23 1a2y s LEU 85 Cb -0.02 -3.98 -0.05 0.00 0.02 0.00 0.00 46.19 42.16 1a2y s LEU 85 CO 0.74 -1.24 -0.09 -1.00 0.02 0.00 0.00 176.35 174.79 1a2y s HIS 86 N -1.22 1.31 0.43 0.29 3.76 -1.26 -4.84 115.29 113.76 1a2y s HIS 86 Ca 0.62 -0.79 0.40 0.00 -0.15 0.00 0.00 55.06 55.14 1a2y s HIS 86 Cb -0.43 -0.68 1.96 0.00 1.11 0.00 0.00 32.58 34.53 1a2y s HIS 86 CO 0.55 0.06 2.20 1.79 -0.85 0.00 0.00 174.74 178.50 1a2y h THR 87 N 2.73 0.03 0.00 1.30 1.35 -1.89 -0.95 112.91 115.48 1a2y h THR 87 Ca -0.37 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1a2y h THR 87 Cb 1.20 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1a2y h THR 87 CO 0.64 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 176.38 1a2y n ASP 88 N -3.11 0.00 -0.34 5.36 8.00 -1.26 -2.32 116.55 122.87 1a2y n ASP 88 Ca -0.01 0.22 0.14 0.00 0.71 0.00 0.00 54.79 55.85 1a2y n ASP 88 Cb 0.17 -0.36 0.59 0.00 -0.02 0.00 0.00 41.12 41.50 1a2y n ASP 88 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1a2y n ASP 89 N -1.36 1.10 -4.66 -2.24 8.00 -0.36 -4.87 116.55 112.16 1a2y n ASP 89 Ca 0.06 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 53.87 1a2y n ASP 89 Cb 0.14 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1a2y n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a2y s THR 90 N -2.10 3.65 -0.05 -3.53 2.01 -0.98 -4.85 115.64 109.79 1a2y s THR 90 Ca 0.37 0.82 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 1a2y s THR 90 Cb 0.21 -3.53 0.12 0.00 0.01 0.00 0.00 72.50 69.31 1a2y s THR 90 CO 0.37 -0.06 1.34 0.00 -0.69 0.00 0.00 174.62 175.58 1a2y s ALA 91 N 3.77 -2.46 -0.18 7.40 0.00 -0.60 -4.55 121.76 125.14 1a2y s ALA 91 Ca 0.70 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 1a2y s ALA 91 Cb -0.32 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 1a2y s ALA 91 CO 0.28 -1.10 0.42 0.50 0.00 0.00 0.00 175.76 175.85 1a2y s ARG 92 N -2.14 4.21 -0.18 0.00 3.52 -0.67 -0.95 118.95 122.75 1a2y s ARG 92 Ca 0.21 0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 56.01 1a2y s ARG 92 Cb 0.04 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1a2y s ARG 92 CO -0.04 0.01 0.04 0.71 -0.81 0.00 0.00 175.30 175.21 1a2y s TYR 93 N 1.14 3.20 0.09 5.12 1.51 0.07 -1.13 117.35 127.35 1a2y s TYR 93 Ca 0.21 -0.01 0.10 0.00 -1.01 0.00 0.00 57.07 56.36 1a2y s TYR 93 Cb -0.15 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1a2y s TYR 93 CO 0.08 0.11 -0.26 0.71 -1.11 0.00 0.00 175.55 175.08 1a2y s TYR 94 N 0.36 2.25 0.03 2.71 2.02 0.69 -1.71 117.35 123.70 1a2y s TYR 94 Ca 0.01 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.38 1a2y s TYR 94 Cb -0.13 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1a2y s TYR 94 CO 0.01 0.24 -0.14 0.00 -1.57 0.00 0.00 175.55 174.09 1a2y s ALA 96 N -0.95 -0.34 0.15 0.00 0.00 -0.39 -1.67 121.76 118.56 1a2y s ALA 96 Ca 0.16 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1a2y s ALA 96 Cb -0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 23.12 22.75 1a2y s ALA 96 CO 0.06 -0.08 0.94 0.50 0.00 0.00 0.00 175.76 177.18 1a2y s ARG 97 N -0.06 4.73 -0.18 0.00 3.52 -0.22 -0.89 118.95 125.85 1a2y s ARG 97 Ca -0.01 1.43 -0.06 0.00 -0.13 0.00 0.00 55.73 56.96 1a2y s ARG 97 Cb -0.02 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1a2y s ARG 97 CO 0.00 0.32 0.01 -2.00 -0.81 0.00 0.00 175.30 172.83 1a2y s GLU 98 N -0.39 3.77 -0.26 5.12 2.12 -0.47 -1.85 118.70 126.74 1a2y s GLU 98 Ca 0.44 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.33 1a2y s GLU 98 Cb -0.24 -3.08 0.07 0.00 0.26 0.00 0.00 34.13 31.14 1a2y s GLU 98 CO 0.30 0.19 -0.02 0.50 -0.54 0.00 0.00 175.26 175.69 1a2y s ARG 99 N 0.56 1.49 -1.26 4.30 3.52 -0.23 -3.09 118.95 124.24 1a2y s ARG 99 Ca 0.00 -1.14 -0.18 0.00 -0.13 0.00 0.00 55.73 54.29 1a2y s ARG 99 Cb -0.14 -2.61 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1a2y s ARG 99 CO 0.02 -0.70 0.60 -3.47 -0.81 0.00 0.00 175.30 170.94 1a2y n ASP 100 N 4.63 -3.19 -1.85 -2.12 2.03 -1.26 -3.15 116.55 111.64 1a2y n ASP 100 Ca -0.08 -1.11 -0.10 0.00 0.52 0.00 0.00 54.79 54.01 1a2y n ASP 100 Cb 0.43 -2.70 0.03 0.00 -0.72 0.00 0.00 41.12 38.17 1a2y n ASP 100 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1a2y n TYR 101 N -4.51 -1.25 -3.61 -0.67 4.01 -1.26 -5.06 117.16 104.81 1a2y n TYR 101 Ca -0.17 0.44 -0.14 0.00 -0.16 0.00 0.00 57.90 57.87 1a2y n TYR 101 Cb 0.62 -2.77 -0.07 0.00 -0.31 0.00 0.00 39.34 36.81 1a2y n TYR 101 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1a2y s ARG 102 N -5.55 0.83 -0.73 -0.72 3.03 -1.19 -5.11 118.95 109.51 1a2y s ARG 102 Ca 0.25 0.82 -0.21 0.00 2.03 0.00 0.00 55.73 58.61 1a2y s ARG 102 Cb -0.11 0.40 0.09 0.00 -1.03 0.00 0.00 34.95 34.30 1a2y s ARG 102 CO 0.32 -0.13 0.98 -0.51 -1.13 0.00 0.00 175.30 174.83 1a2y s LEU 103 N 0.08 4.69 0.21 -1.89 1.43 -1.26 -1.07 118.68 120.87 1a2y s LEU 103 Ca -0.01 -1.36 0.15 0.00 -1.03 0.00 0.00 54.13 51.88 1a2y s LEU 103 Cb -0.04 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1a2y s LEU 103 CO 0.02 -1.29 1.25 -2.24 0.23 0.00 0.00 176.35 174.31 1a2y h ASP 104 N 9.31 0.00 -3.61 2.29 2.03 -1.72 -3.46 116.42 121.26 1a2y h ASP 104 Ca -0.15 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.87 1a2y h ASP 104 Cb 1.06 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.24 1a2y h ASP 104 CO 1.15 0.55 -0.73 -0.31 -1.03 0.00 0.00 179.24 178.88 1a2y s TYR 105 N -2.94 0.05 0.16 4.15 2.02 -1.25 -5.03 117.35 114.51 1a2y s TYR 105 Ca 0.02 0.06 0.09 0.00 -0.37 0.00 0.00 57.07 56.88 1a2y s TYR 105 Cb 0.08 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.44 1a2y s TYR 105 CO 0.77 -0.06 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.90 1a2y s TRP 106 N 0.63 1.99 0.84 2.71 0.52 -1.26 -1.06 118.94 123.31 1a2y s TRP 106 Ca -0.05 -0.42 -0.11 0.00 0.02 0.00 0.00 56.10 55.53 1a2y s TRP 106 Cb -0.08 -1.02 0.13 0.00 -1.15 0.00 0.00 33.47 31.35 1a2y s TRP 106 CO -0.02 0.35 1.18 0.20 0.02 0.00 0.00 176.95 178.69 1a2y s GLY 107 N -2.46 1.71 0.31 0.98 0.00 -0.67 -4.74 107.32 102.45 1a2y s GLY 107 Ca 0.15 -1.04 0.25 0.00 0.00 0.00 0.00 44.72 44.08 1a2y s GLY 107 CO 0.07 -0.45 1.74 1.46 0.00 0.00 0.00 173.10 175.91 1a2y h GLN 108 N -1.14 0.00 0.00 2.90 4.20 -1.91 -3.46 115.11 115.71 1a2y h GLN 108 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1a2y h GLN 108 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1a2y h GLN 108 CO 0.51 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1a2y n GLY 109 N 1.01 0.28 2.88 3.46 0.00 -1.26 -5.03 105.19 106.53 1a2y n GLY 109 Ca 0.04 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 1a2y n GLY 109 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a2y s THR 110 N -2.55 -0.04 0.16 2.61 -1.32 -0.69 -4.79 115.64 109.01 1a2y s THR 110 Ca 0.00 0.15 -0.20 0.00 -1.21 0.00 0.00 61.69 60.42 1a2y s THR 110 Cb 0.00 -0.16 -0.08 0.00 -1.51 0.00 0.00 72.50 70.76 1a2y s THR 110 CO 0.00 0.06 0.68 0.42 -2.21 0.00 0.00 174.62 173.57 1a2y s THR 111 N 0.85 4.59 -0.03 5.08 -4.23 -1.26 -0.75 115.64 119.89 1a2y s THR 111 Ca -0.07 1.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.78 1a2y s THR 111 Cb -0.09 -3.92 0.01 0.00 1.34 0.00 0.00 72.50 69.84 1a2y s THR 111 CO -0.03 0.37 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.15 1a2y s LEU 112 N -1.56 1.53 -0.08 4.79 2.96 -0.13 -4.18 118.68 122.01 1a2y s LEU 112 Ca 0.37 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1a2y s LEU 112 Cb -0.19 -0.41 0.01 0.00 0.50 0.00 0.00 46.19 46.10 1a2y s LEU 112 CO 0.22 -0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.16 1a2y s THR 113 N 0.59 1.58 -0.33 3.68 2.01 -0.20 -1.55 115.64 121.41 1a2y s THR 113 Ca -0.08 -0.74 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 1a2y s THR 113 Cb -0.11 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.01 1a2y s THR 113 CO 0.00 0.45 0.73 -0.69 -0.69 0.00 0.00 174.62 174.42 1a2y s VAL 114 N 0.52 4.82 0.66 3.82 1.01 -1.26 -2.57 120.40 127.40 1a2y s VAL 114 Ca -0.16 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 1a2y s VAL 114 Cb -0.17 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.25 1a2y s VAL 114 CO 0.06 -0.29 0.60 -1.20 0.00 0.00 0.00 175.10 174.28 1a2y n SER 115 N 6.17 -1.48 -0.22 3.32 7.64 -0.47 -4.81 113.62 123.77 1a2y n SER 115 Ca 0.02 -0.89 0.15 0.00 1.01 0.00 0.00 58.87 59.16 1a2y n SER 115 Cb 0.48 -0.55 0.75 0.00 -1.01 0.00 0.00 64.21 63.89 1a2y n SER 115 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49