#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yre s SER -5 N 0.00 -0.15 -0.16 1.61 1.04 -1.26 -5.19 113.70 109.59 2yre s SER -5 Ca 0.00 -0.08 -0.31 0.00 0.48 0.00 0.00 55.95 56.04 2yre s SER -5 Cb 0.00 0.22 0.14 0.00 0.10 0.00 0.00 66.02 66.48 2yre s SER -5 CO 0.00 -0.39 1.08 -0.94 0.98 0.00 0.00 173.24 173.97 2yre s SER -4 N -2.55 -0.27 0.00 7.02 1.04 -1.26 -5.18 113.70 112.51 2yre s SER -4 Ca 0.10 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2yre s SER -4 Cb 0.01 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2yre s SER -4 CO -0.04 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2yre n GLY -3 N 0.34 3.90 3.65 7.32 0.00 -1.26 -5.19 105.19 113.94 2yre n GLY -3 Ca -0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2yre n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yre s SER -2 N 0.00 -0.24 -0.21 1.61 0.15 -1.26 -5.09 113.70 108.66 2yre s SER -2 Ca 0.00 -0.60 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 2yre s SER -2 Cb 0.00 0.63 -0.08 0.00 -1.71 0.00 0.00 66.02 64.86 2yre s SER -2 CO 0.00 -1.17 -0.31 -0.24 1.20 0.00 0.00 173.24 172.71 2yre n SER -1 N -0.39 1.78 -0.32 5.45 2.88 -1.26 -5.07 113.62 116.69 2yre n SER -1 Ca -0.06 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2yre n SER -1 Cb 0.61 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 2yre n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yre n GLY 0 N 1.55 0.55 2.54 0.46 0.00 -1.26 -5.06 105.19 103.98 2yre n GLY 0 Ca -0.34 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2yre n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2yre n MET 1 N -0.32 1.79 -3.80 1.61 -0.00 -1.26 -5.06 117.12 110.09 2yre n MET 1 Ca 0.00 -4.25 -0.13 0.00 -0.00 0.00 0.00 57.70 53.33 2yre n MET 1 Cb 0.17 -2.05 -0.12 0.00 -0.00 0.00 0.00 33.22 31.21 2yre n MET 1 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 2yre s GLU 2 N -1.69 0.22 0.07 3.17 -1.05 -1.26 -5.16 118.70 112.98 2yre s GLU 2 Ca 0.34 0.29 0.06 0.00 -0.15 0.00 0.00 54.97 55.51 2yre s GLU 2 Cb 0.08 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 2yre s GLU 2 CO -0.10 -0.05 -0.12 -1.21 0.95 0.00 0.00 175.26 174.74 2yre s GLU 3 N 0.26 2.20 -0.19 -4.83 8.01 -1.26 -5.12 118.70 117.76 2yre s GLU 3 Ca -0.01 -0.95 -0.04 0.00 0.01 0.00 0.00 54.97 53.98 2yre s GLU 3 Cb -0.03 -2.31 -0.02 0.00 -4.31 0.00 0.00 34.13 27.46 2yre s GLU 3 CO -0.01 0.54 -0.03 -2.00 0.01 0.00 0.00 175.26 173.77 2yre s GLU 4 N -1.83 3.52 0.40 1.61 2.12 -1.26 -5.11 118.70 118.16 2yre s GLU 4 Ca 0.18 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 55.02 2yre s GLU 4 Cb -0.11 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2yre s GLU 4 CO 0.10 -0.01 0.31 -0.51 -0.54 0.00 0.00 175.26 174.61 2yre s LEU 5 N 1.02 3.33 0.95 2.70 1.43 -1.26 -5.10 118.68 121.75 2yre s LEU 5 Ca 0.01 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2yre s LEU 5 Cb -0.15 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.24 2yre s LEU 5 CO 0.01 -0.58 0.58 0.00 0.23 0.00 0.00 176.35 176.58 2yre n GLN 6 N -1.43 -0.37 -2.94 1.70 3.00 -1.26 -4.94 117.38 111.13 2yre n GLN 6 Ca 0.02 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 2yre n GLN 6 Cb 0.62 -1.98 -0.05 0.00 0.00 0.00 0.00 30.24 28.83 2yre n GLN 6 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2yre s HIS 7 N -2.45 3.76 0.02 1.08 3.76 -1.26 -5.00 115.29 115.19 2yre s HIS 7 Ca 0.59 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.93 2yre s HIS 7 Cb -0.21 -2.85 -0.06 0.00 1.11 0.00 0.00 32.58 30.56 2yre s HIS 7 CO 0.65 0.28 1.17 1.03 -0.85 0.00 0.00 174.74 177.02 2yre h SER 8 N 5.57 -0.34 -0.79 1.40 0.87 -1.56 -0.53 113.55 118.17 2yre h SER 8 Ca -0.44 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.30 2yre h SER 8 Cb 1.21 0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 63.11 2yre h SER 8 CO 0.71 -0.24 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.91 2yre h HIS 9 N -0.40 -0.28 0.30 2.24 -0.00 -1.54 -1.12 115.15 114.36 2yre h HIS 9 Ca -0.04 0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2yre h HIS 9 Cb 0.30 0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 2yre h HIS 9 CO 0.16 -0.32 -0.27 0.00 -0.00 0.00 0.00 177.93 177.50 2yre h VAL 11 N -0.56 0.00 0.00 0.00 -1.51 -0.31 1.29 116.25 115.16 2yre h VAL 11 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2yre h VAL 11 Cb 0.48 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.02 2yre h VAL 11 CO -0.02 0.00 -1.31 0.59 -1.23 0.00 0.00 177.57 175.60 2yre n ASN 12 N -2.67 1.32 -4.65 4.19 3.02 -0.45 -4.94 115.26 111.08 2yre n ASN 12 Ca -0.01 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 2yre n ASN 12 Cb 0.62 1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 41.18 2yre n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yre n VAL 14 N 5.20 0.68 -0.89 0.00 0.24 -1.26 -4.86 118.33 117.44 2yre n VAL 14 Ca 0.07 -0.26 -0.35 0.00 -2.04 0.00 0.00 64.34 61.77 2yre n VAL 14 Cb 0.47 -0.92 0.08 0.00 -1.47 0.00 0.00 33.84 32.01 2yre n VAL 14 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2yre n SER 15 N -2.83 -3.96 -0.13 -1.34 7.64 -1.26 -4.96 113.62 106.78 2yre n SER 15 Ca -0.21 0.22 -0.22 0.00 1.01 0.00 0.00 58.87 59.67 2yre n SER 15 Cb 0.73 -0.95 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 2yre n SER 15 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2yre n ARG 16 N 0.41 0.59 -0.63 1.43 0.63 -1.26 -4.47 116.66 113.36 2yre n ARG 16 Ca 0.02 0.19 -0.04 0.00 -0.92 0.00 0.00 57.85 57.10 2yre n ARG 16 Cb 0.56 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 2yre n ARG 16 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2yre n ARG 17 N -3.64 1.26 -2.38 -0.14 3.00 -1.26 -4.78 116.66 108.71 2yre n ARG 17 Ca -0.47 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.85 56.63 2yre n ARG 17 Cb 0.92 -1.24 -0.03 0.00 0.00 0.00 0.00 32.46 32.11 2yre n ARG 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2yre n MET 19 N 4.12 2.75 -2.98 0.00 0.00 -1.26 -4.95 117.12 114.80 2yre n MET 19 Ca 0.10 -3.92 -0.37 0.00 0.00 0.00 0.00 57.70 53.50 2yre n MET 19 Cb 0.46 -1.96 -0.06 0.00 0.00 0.00 0.00 33.22 31.66 2yre n MET 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2yre s THR 20 N -4.35 4.41 -0.00 3.17 2.01 -1.26 -4.98 115.64 114.63 2yre s THR 20 Ca 0.41 1.56 -0.32 0.00 0.31 0.00 0.00 61.69 63.65 2yre s THR 20 Cb 0.39 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.80 2yre s THR 20 CO -0.02 0.30 1.90 0.54 -0.69 0.00 0.00 174.62 176.65 2yre n ARG 21 N 0.98 2.54 -2.09 4.92 3.00 -1.26 -4.88 116.66 119.87 2yre n ARG 21 Ca -0.02 0.93 -0.43 0.00 -0.01 0.00 0.00 57.85 58.32 2yre n ARG 21 Cb 0.50 -2.82 -0.03 0.00 0.00 0.00 0.00 32.46 30.11 2yre n ARG 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yre s PRO 22 N 3.94 3.45 0.31 5.56 0.04 -1.26 -4.54 135.00 142.49 2yre s PRO 22 Ca 0.89 1.35 0.04 0.00 0.04 0.00 0.00 61.00 63.33 2yre s PRO 22 Cb -0.56 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 29.82 2yre s PRO 22 CO 0.45 -1.71 0.45 -1.21 0.04 0.00 0.00 177.00 175.02 2yre s GLU 23 N 5.36 3.31 0.00 4.56 0.41 0.71 -4.83 118.70 128.21 2yre s GLU 23 Ca 0.75 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 2yre s GLU 23 Cb -0.21 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 2yre s GLU 23 CO 0.33 0.20 0.46 -0.35 -0.49 0.00 0.00 175.26 175.41 2yre n PRO 24 N -1.61 0.49 0.11 0.39 -0.04 -1.26 -4.09 135.00 128.98 2yre n PRO 24 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2yre n PRO 24 Cb 0.57 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 2yre n PRO 24 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yre n GLY 25 N 0.02 -1.24 0.00 0.55 0.00 -1.26 -5.03 105.19 98.23 2yre n GLY 25 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2yre n GLY 25 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yre n ILE 26 N -2.95 0.00 -4.48 -0.61 -0.00 -1.26 -3.64 119.36 106.42 2yre n ILE 26 Ca 0.00 1.31 -0.24 0.00 -0.00 0.00 0.00 62.75 63.83 2yre n ILE 26 Cb 0.00 -2.15 -0.10 0.00 -0.00 0.00 0.00 39.64 37.39 2yre n ILE 26 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2yre s SER 27 N -2.33 3.32 0.24 4.38 0.15 -1.26 -1.47 113.70 116.74 2yre s SER 27 Ca 0.00 -1.14 0.02 0.00 0.70 0.00 0.00 55.95 55.53 2yre s SER 27 Cb 0.00 -0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 63.99 2yre s SER 27 CO 0.00 -0.18 0.04 0.00 1.20 0.00 0.00 173.24 174.30 2yre s ASP 29 N -3.30 4.98 0.08 0.00 1.01 -1.26 -4.66 116.67 113.53 2yre s ASP 29 Ca 0.32 2.69 -0.03 0.00 0.71 0.00 0.00 52.55 56.23 2yre s ASP 29 Cb 0.07 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2yre s ASP 29 CO 0.10 -1.76 0.29 -0.76 0.21 0.00 0.00 175.17 173.25 2yre s LEU 30 N -3.90 4.33 -0.03 1.23 1.43 -1.26 -2.59 118.68 117.89 2yre s LEU 30 Ca 0.77 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2yre s LEU 30 Cb -0.39 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 42.81 2yre s LEU 30 CO 0.44 0.14 0.08 0.27 0.23 0.00 0.00 176.35 177.50 2yre s ILE 31 N -1.52 -0.00 0.19 -0.59 -5.25 -0.76 -4.80 121.20 108.46 2yre s ILE 31 Ca 0.36 0.02 -0.30 0.00 -0.99 0.00 0.00 60.65 59.73 2yre s ILE 31 Cb -0.13 -0.12 -0.08 0.00 2.95 0.00 0.00 42.46 45.09 2yre s ILE 31 CO 0.24 0.01 0.99 -0.83 -1.79 0.00 0.00 174.94 173.56 2yre s GLY 32 N 0.13 3.03 0.07 6.27 0.00 -1.26 -2.85 107.32 112.70 2yre s GLY 32 Ca -0.01 0.67 -0.28 0.00 0.00 0.00 0.00 44.72 45.10 2yre s GLY 32 CO -0.00 1.39 0.67 0.00 0.00 0.00 0.00 173.10 175.16 2yre n PRO 34 N 1.03 0.15 -0.46 0.00 -0.04 -1.26 -2.12 135.00 132.30 2yre n PRO 34 Ca 0.15 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 2yre n PRO 34 Cb 0.12 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.32 2yre n PRO 34 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2yre n LEU 35 N -1.34 3.79 -3.96 1.53 4.32 -1.26 -4.95 117.00 115.13 2yre n LEU 35 Ca 0.06 -3.12 -0.31 0.00 -0.02 0.00 0.00 56.01 52.61 2yre n LEU 35 Cb 0.13 -0.55 -0.05 0.00 -1.62 0.00 0.00 43.42 41.34 2yre n LEU 35 CO 0.12 0.75 -0.09 1.33 -1.22 0.00 0.00 177.39 178.27 2yre n VAL 36 N -0.68 -0.27 0.25 4.08 0.24 -0.90 -4.76 118.33 116.28 2yre n VAL 36 Ca 0.23 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.61 2yre n VAL 36 Cb 0.89 -0.74 0.63 0.00 -1.47 0.00 0.00 33.84 33.15 2yre n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yre n GLY 38 N -0.95 0.96 3.19 0.00 0.00 -1.26 -5.07 105.19 102.06 2yre n GLY 38 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2yre n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre s ALA 39 N -1.90 -0.84 -0.29 4.61 0.00 -1.26 -5.09 121.76 116.99 2yre s ALA 39 Ca 0.00 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 2yre s ALA 39 Cb 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.33 2yre s ALA 39 CO 0.00 -0.23 0.15 0.08 0.00 0.00 0.00 175.76 175.77 2yre s VAL 40 N 1.16 4.74 0.12 0.00 1.01 -1.26 -2.28 120.40 123.89 2yre s VAL 40 Ca -0.08 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2yre s VAL 40 Cb -0.08 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2yre s VAL 40 CO -0.09 0.15 -0.09 0.72 0.00 0.00 0.00 175.10 175.79 2yre s PHE 41 N 1.65 1.11 0.17 5.22 -0.71 -1.13 -4.64 117.98 119.65 2yre s PHE 41 Ca 0.06 -0.76 -0.32 0.00 -1.04 0.00 0.00 56.93 54.87 2yre s PHE 41 Cb -0.16 -0.59 -0.11 0.00 -1.21 0.00 0.00 43.02 40.94 2yre s PHE 41 CO 0.07 0.00 1.71 -1.01 -1.34 0.00 0.00 175.22 174.65 2yre s HIS 42 N -3.13 2.74 0.31 3.49 3.76 -1.26 -1.83 115.29 119.37 2yre s HIS 42 Ca 0.12 0.33 0.18 0.00 -0.15 0.00 0.00 55.06 55.54 2yre s HIS 42 Cb 0.02 -4.09 1.13 0.00 1.11 0.00 0.00 32.58 30.74 2yre s HIS 42 CO -0.01 -4.20 1.31 -1.13 -0.85 0.00 0.00 174.74 169.86 2yre n SER 43 N 4.47 0.29 -0.08 1.40 3.41 -1.07 0.22 113.62 122.25 2yre n SER 43 Ca 0.16 1.37 -0.13 0.00 -0.26 0.00 0.00 58.87 60.01 2yre n SER 43 Cb 0.37 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.60 2yre n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yre h LYS 45 N 0.25 0.18 -0.71 0.00 1.79 0.22 -3.22 116.57 115.08 2yre h LYS 45 Ca 0.04 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2yre h LYS 45 Cb 0.72 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.26 2yre h LYS 45 CO 0.05 0.37 -0.42 0.00 -1.08 0.00 0.00 179.45 178.37 2yre n ALA 46 N -2.49 -0.45 -0.47 3.86 0.00 0.35 0.10 120.51 121.41 2yre n ALA 46 Ca -0.01 0.60 0.38 0.00 0.00 0.00 0.00 53.44 54.42 2yre n ALA 46 Cb 0.30 0.04 0.63 0.00 0.00 0.00 0.00 19.45 20.42 2yre n ALA 46 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2yre n ASP 47 N -4.60 0.14 0.03 0.00 8.00 -1.22 0.17 116.55 119.07 2yre n ASP 47 Ca 0.01 1.13 -0.21 0.00 0.71 0.00 0.00 54.79 56.43 2yre n ASP 47 Cb 0.18 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 2yre n ASP 47 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2yre h GLU 48 N 0.00 0.30 0.09 -1.24 5.08 0.49 -3.38 114.58 115.91 2yre h GLU 48 Ca 0.79 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2yre h GLU 48 Cb 2.71 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 32.14 2yre h GLU 48 CO -0.31 1.22 -0.10 1.25 -1.00 0.00 0.00 179.01 180.07 2yre h HIS 49 N 0.08 -0.26 -1.02 4.33 2.76 0.51 -2.34 115.15 119.21 2yre h HIS 49 Ca -0.38 0.00 0.37 0.00 -2.20 0.00 0.00 60.37 58.16 2yre h HIS 49 Cb 2.06 0.10 -0.16 0.00 1.55 0.00 0.00 27.41 30.96 2yre h HIS 49 CO 0.08 -0.16 0.58 0.07 -1.30 0.00 0.00 177.93 177.20 2yre h ARG 50 N -0.22 0.18 -0.84 5.26 0.11 -0.96 0.88 114.38 118.79 2yre h ARG 50 Ca 0.01 -0.01 0.10 0.00 0.10 0.00 0.00 59.98 60.18 2yre h ARG 50 Cb 0.22 -0.04 -0.07 0.00 1.11 0.00 0.00 29.97 31.18 2yre h ARG 50 CO -0.04 0.12 0.48 -0.07 0.10 0.00 0.00 179.97 180.56 2yre h LEU 51 N 0.18 0.69 0.00 0.08 3.38 -1.59 -3.10 115.31 114.95 2yre h LEU 51 Ca 0.79 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.70 2yre h LEU 51 Cb 1.96 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 2yre h LEU 51 CO -0.66 0.39 -0.61 -0.07 0.09 0.00 0.00 178.44 177.59 2yre h LEU 52 N 0.81 0.00 -5.78 1.67 3.38 0.51 -3.47 115.31 112.43 2yre h LEU 52 Ca 0.41 -0.67 -0.50 0.00 0.09 0.00 0.00 57.88 57.20 2yre h LEU 52 Cb 0.37 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.16 2yre h LEU 52 CO -0.25 1.19 0.03 0.00 0.09 0.00 0.00 178.44 179.50 2yre h PRO 54 N 1.88 0.05 -0.53 0.00 0.13 -1.91 -3.04 132.00 128.59 2yre h PRO 54 Ca -0.32 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 2yre h PRO 54 Cb 0.92 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 2yre h PRO 54 CO 0.42 0.52 0.09 0.74 -0.23 0.00 0.00 178.00 179.54 2yre h PHE 55 N 0.04 0.87 -1.58 1.56 -1.00 -1.92 0.47 116.94 115.38 2yre h PHE 55 Ca -0.00 -0.09 -0.65 0.00 2.81 0.00 0.00 57.97 60.03 2yre h PHE 55 Cb 0.87 -0.25 0.11 0.00 3.61 0.00 0.00 35.95 40.29 2yre h PHE 55 CO 0.00 0.75 -0.22 -1.91 -1.61 0.00 0.00 178.31 175.32 2yre n GLU 56 N -4.25 0.55 -1.92 1.51 4.07 -1.15 -4.25 120.64 115.19 2yre n GLU 56 Ca 0.03 0.19 -0.42 0.00 -0.06 0.00 0.00 57.16 56.91 2yre n GLU 56 Cb 0.25 -1.38 -0.03 0.00 -0.06 0.00 0.00 31.44 30.22 2yre n GLU 56 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2yre s ARG 57 N -1.11 4.20 0.04 5.31 3.52 -1.26 -3.85 118.95 125.79 2yre s ARG 57 Ca 0.64 2.33 0.02 0.00 -0.13 0.00 0.00 55.73 58.59 2yre s ARG 57 Cb -0.86 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 28.89 2yre s ARG 57 CO 0.57 -0.74 -0.08 0.14 -0.81 0.00 0.00 175.30 174.38 2yre s VAL 58 N 2.73 0.55 0.44 7.11 -7.23 0.84 -4.92 120.40 119.91 2yre s VAL 58 Ca 0.74 -0.94 -0.24 0.00 -1.81 0.00 0.00 61.98 59.73 2yre s VAL 58 Cb -0.40 -0.59 -0.08 0.00 0.56 0.00 0.00 36.38 35.88 2yre s VAL 58 CO 0.32 -0.29 1.17 -2.16 -0.31 0.00 0.00 175.10 173.84 2yre s PRO 59 N -1.34 3.86 0.10 4.82 0.04 -1.26 -1.21 135.00 140.01 2yre s PRO 59 Ca -0.08 1.81 -0.36 0.00 0.04 0.00 0.00 61.00 62.42 2yre s PRO 59 Cb -0.09 -2.50 -0.17 0.00 0.04 0.00 0.00 34.50 31.78 2yre s PRO 59 CO 0.00 -0.48 1.18 0.00 0.04 0.00 0.00 177.00 177.75 2yre n LEU 61 N 2.12 -0.44 -1.56 0.00 4.77 -1.26 0.24 117.00 120.87 2yre n LEU 61 Ca 0.18 1.42 -0.06 0.00 -0.03 0.00 0.00 56.01 57.51 2yre n LEU 61 Cb 0.19 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2yre n LEU 61 CO 0.61 -1.31 1.00 -0.46 -1.33 0.00 0.00 177.39 175.90 2yre n ASN 62 N -5.25 5.26 -0.28 -1.43 0.23 -1.26 -4.44 115.26 108.09 2yre n ASN 62 Ca 0.10 -2.58 -0.02 0.00 -0.53 0.00 0.00 54.58 51.55 2yre n ASN 62 Cb 0.36 -1.00 0.11 0.00 -2.08 0.00 0.00 39.78 37.17 2yre n ASN 62 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 2yre h SER 63 N 0.98 0.79 -0.93 0.53 0.87 0.28 -2.31 113.55 113.76 2yre h SER 63 Ca 0.11 0.01 0.27 0.00 -1.23 0.00 0.00 61.79 60.95 2yre h SER 63 Cb 1.04 -0.16 -0.16 0.00 -0.44 0.00 0.00 62.40 62.67 2yre h SER 63 CO 0.27 0.53 0.20 -0.78 -0.53 0.00 0.00 176.83 176.52 2yre h ASP 64 N 0.93 -0.13 -0.86 6.23 1.82 -1.81 0.98 116.42 123.58 2yre h ASP 64 Ca 0.33 0.24 0.12 0.00 -0.39 0.00 0.00 57.03 57.32 2yre h ASP 64 Cb 0.08 0.35 -0.06 0.00 0.68 0.00 0.00 39.33 40.37 2yre h ASP 64 CO -0.14 -0.27 0.55 -0.26 -1.61 0.00 0.00 179.24 177.52 2yre h PHE 65 N 0.11 0.83 0.00 0.28 -1.00 -1.78 -3.45 116.94 111.92 2yre h PHE 65 Ca 0.61 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.41 2yre h PHE 65 Cb 1.30 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.60 2yre h PHE 65 CO -0.31 0.35 0.00 0.41 -1.61 0.00 0.00 178.31 177.14 2yre n GLY 66 N -1.43 0.77 3.50 -1.45 0.00 0.34 -5.11 105.19 101.81 2yre n GLY 66 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 2yre n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yre n PRO 68 N 6.26 0.15 -1.82 0.00 -0.04 -1.26 -4.49 135.00 133.81 2yre n PRO 68 Ca -0.03 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.41 2yre n PRO 68 Cb 0.47 -1.80 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 2yre n PRO 68 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2yre s PHE 69 N -3.25 2.77 -0.02 0.54 0.08 -1.26 -4.95 117.98 111.89 2yre s PHE 69 Ca 0.05 0.87 0.00 0.00 0.12 0.00 0.00 56.93 57.97 2yre s PHE 69 Cb 0.09 -4.02 0.02 0.00 -0.57 0.00 0.00 43.02 38.54 2yre s PHE 69 CO 0.36 -3.36 0.02 0.95 -0.10 0.00 0.00 175.22 173.09 2yre s THR 70 N -0.17 -0.00 0.29 0.64 -4.23 -1.26 -2.23 115.64 108.68 2yre s THR 70 Ca 0.61 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 61.16 2yre s THR 70 Cb -0.47 -0.11 0.05 0.00 1.34 0.00 0.00 72.50 73.31 2yre s THR 70 CO 0.49 0.08 0.61 1.15 -0.54 0.00 0.00 174.62 176.42 2yre n MET 71 N 3.97 0.85 -2.09 3.99 0.00 -0.35 -4.88 117.12 118.62 2yre n MET 71 Ca -0.25 -1.66 -0.38 0.00 0.00 0.00 0.00 57.70 55.41 2yre n MET 71 Cb 0.52 2.08 0.01 0.00 0.00 0.00 0.00 33.22 35.83 2yre n MET 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre s ALA 72 N -1.82 2.96 0.21 3.17 0.00 -1.26 -0.11 121.76 124.91 2yre s ALA 72 Ca 0.12 1.09 -0.09 0.00 0.00 0.00 0.00 51.96 53.08 2yre s ALA 72 Cb -0.04 -3.45 0.29 0.00 0.00 0.00 0.00 23.12 19.92 2yre s ALA 72 CO 0.09 -0.90 1.74 0.00 0.00 0.00 0.00 175.76 176.69 2yre h ARG 73 N 1.94 0.39 0.00 0.00 3.08 -0.15 0.54 114.38 120.19 2yre h ARG 73 Ca -0.50 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2yre h ARG 73 Cb 1.26 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2yre h ARG 73 CO 0.60 0.26 0.00 0.27 -1.07 0.00 0.00 179.97 180.03 2yre n ASN 74 N -5.00 0.00 0.00 7.04 6.94 -1.23 -2.75 115.26 120.26 2yre n ASN 74 Ca 0.09 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.28 2yre n ASN 74 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 2yre n ASN 74 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2yre n LYS 75 N -0.65 1.52 -0.25 -3.83 3.00 0.14 -4.72 118.16 113.37 2yre n LYS 75 Ca 0.06 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.42 2yre n LYS 75 Cb 0.03 -1.00 0.17 0.00 0.00 0.00 0.00 35.03 34.23 2yre n LYS 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2yre h VAL 76 N 0.00 0.45 -0.31 3.15 2.07 -0.01 -2.52 116.25 119.09 2yre h VAL 76 Ca 0.00 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2yre h VAL 76 Cb 0.38 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2yre h VAL 76 CO 0.00 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.42 2yre h ALA 77 N 1.64 -0.24 -0.98 1.67 0.00 -1.85 0.34 119.26 119.84 2yre h ALA 77 Ca 0.41 0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.66 2yre h ALA 77 Cb 0.71 1.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.40 2yre h ALA 77 CO -0.56 -0.37 0.22 0.93 0.00 0.00 0.00 179.25 179.47 2yre h GLU 78 N -0.03 0.04 0.03 0.00 4.39 -1.78 0.32 114.58 117.55 2yre h GLU 78 Ca 0.05 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2yre h GLU 78 Cb 0.15 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2yre h GLU 78 CO -0.30 0.03 -0.01 1.25 -1.16 0.00 0.00 179.01 178.81 2yre h HIS 79 N 0.04 -0.03 -1.36 4.33 2.76 -0.49 -2.95 115.15 117.44 2yre h HIS 79 Ca 0.67 -0.00 0.46 0.00 -2.20 0.00 0.00 60.37 59.30 2yre h HIS 79 Cb 1.53 0.01 -0.13 0.00 1.55 0.00 0.00 27.41 30.37 2yre h HIS 79 CO -0.31 0.26 0.88 -0.07 -1.30 0.00 0.00 177.93 177.40 2yre h LEU 80 N -0.33 0.22 -0.43 0.26 3.38 0.30 0.87 115.31 119.57 2yre h LEU 80 Ca -0.00 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2yre h LEU 80 Cb 0.31 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2yre h LEU 80 CO 0.01 -0.21 0.22 -0.33 0.09 0.00 0.00 178.44 178.21 2yre h GLU 81 N 0.05 0.42 -0.56 1.13 5.08 -1.30 -2.17 114.58 117.24 2yre h GLU 81 Ca 0.85 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 59.09 2yre h GLU 81 Cb 2.71 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.81 2yre h GLU 81 CO -0.43 0.28 0.10 0.00 -1.00 0.00 0.00 179.01 177.96 2yre n MET 82 N -4.91 3.86 -3.19 2.33 0.00 0.28 -4.94 117.12 110.55 2yre n MET 82 Ca 0.03 -3.07 -0.39 0.00 0.00 0.00 0.00 57.70 54.26 2yre n MET 82 Cb 0.11 -2.13 -0.05 0.00 0.00 0.00 0.00 33.22 31.14 2yre n MET 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yre h PRO 84 N 5.93 0.05 -0.72 0.00 0.13 -1.90 -3.12 132.00 132.36 2yre h PRO 84 Ca -0.44 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 64.88 2yre h PRO 84 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2yre h PRO 84 CO 0.71 0.52 0.53 0.00 -0.23 0.00 0.00 178.00 179.53 2yre h ALA 85 N 0.52 2.68 -0.20 -0.56 0.00 -1.94 -1.15 119.26 118.61 2yre h ALA 85 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2yre h ALA 85 Cb 0.51 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2yre h ALA 85 CO 0.00 -0.90 0.15 0.45 0.00 0.00 0.00 179.25 178.96 2yre n SER 86 N -4.30 5.82 -0.07 0.00 2.88 -1.18 -4.57 113.62 112.20 2yre n SER 86 Ca 0.14 -2.69 0.23 0.00 -1.33 0.00 0.00 58.87 55.22 2yre n SER 86 Cb 0.80 -1.12 0.48 0.00 -0.75 0.00 0.00 64.21 63.62 2yre n SER 86 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2yre h VAL 87 N 1.09 0.08 -1.24 2.46 -1.51 -1.39 0.69 116.25 116.43 2yre h VAL 87 Ca 0.14 0.00 -0.58 0.00 -1.23 0.00 0.00 66.70 65.03 2yre h VAL 87 Cb 0.98 0.18 -0.42 0.00 -2.13 0.00 0.00 31.29 29.90 2yre h VAL 87 CO 0.34 0.00 -0.72 -1.54 -1.23 0.00 0.00 177.57 174.41 2yre n SER 88 N -3.26 4.85 0.00 4.19 3.41 -1.26 -4.94 113.62 116.61 2yre n SER 88 Ca 0.16 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 2yre n SER 88 Cb 1.23 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 2yre n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yre n GLY 89 N -0.57 0.92 0.00 5.00 0.00 0.24 -4.81 105.19 105.98 2yre n GLY 89 Ca 0.41 -1.28 0.06 0.00 0.00 0.00 0.00 46.02 45.21 2yre n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yre n PRO 90 N 0.00 0.49 -1.04 1.61 -0.04 -1.26 -4.88 135.00 129.87 2yre n PRO 90 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2yre n PRO 90 Cb 0.00 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.05 2yre n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yre n SER 91 N -0.85 0.44 0.06 3.54 2.88 -1.26 -4.86 113.62 113.57 2yre n SER 91 Ca 0.08 0.75 -0.09 0.00 -1.33 0.00 0.00 58.87 58.28 2yre n SER 91 Cb 0.04 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 62.87 2yre n SER 91 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2yre h SER 92 N 2.64 -0.21 0.00 -3.46 0.02 -2.02 -3.52 113.55 107.00 2yre h SER 92 Ca -0.30 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2yre h SER 92 Cb 0.88 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.48 2yre h SER 92 CO 0.53 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 177.18