#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hde s SER 3 N 0.00 6.81 0.27 1.61 0.01 -1.26 -5.08 113.70 116.05 2hde s SER 3 Ca 0.00 0.97 -0.05 0.00 1.31 0.00 0.00 55.95 58.18 2hde s SER 3 Cb 0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 2hde s SER 3 CO 0.00 0.28 0.35 -2.28 0.41 0.00 0.00 173.24 172.00 2hde s HIS 4 N -1.16 0.92 -0.04 2.43 2.46 -1.26 -5.07 115.29 113.56 2hde s HIS 4 Ca 0.27 -1.16 -0.24 0.00 0.47 0.00 0.00 55.06 54.40 2hde s HIS 4 Cb -0.16 -0.19 -0.23 0.00 -0.13 0.00 0.00 32.58 31.86 2hde s HIS 4 CO 0.15 -0.91 1.05 0.52 -2.47 0.00 0.00 174.74 173.08 2hde h MET 5 N 2.32 0.21 -6.93 2.88 2.86 -2.08 -3.46 114.93 110.73 2hde h MET 5 Ca -0.30 -0.21 -0.46 0.00 -2.06 0.00 0.00 59.70 56.67 2hde h MET 5 Cb 1.25 0.06 0.06 0.00 0.06 0.00 0.00 31.60 33.03 2hde h MET 5 CO 0.42 0.93 0.02 1.03 1.06 0.00 0.00 176.91 180.37 2hde s ARG 6 N -3.20 2.06 0.79 1.72 0.52 -1.26 -5.10 118.95 114.49 2hde s ARG 6 Ca -0.15 -1.13 -0.12 0.00 -0.52 0.00 0.00 55.73 53.81 2hde s ARG 6 Cb 0.01 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 33.10 2hde s ARG 6 CO 0.75 -1.10 1.11 0.08 0.02 0.00 0.00 175.30 176.16 2hde s VAL 7 N -2.92 2.99 -0.01 3.52 1.01 -1.26 -5.09 120.40 118.64 2hde s VAL 7 Ca 0.63 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.78 2hde s VAL 7 Cb -0.07 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2hde s VAL 7 CO 0.41 -0.42 0.31 0.28 0.00 0.00 0.00 175.10 175.68 2hde s THR 8 N -3.25 0.06 -0.21 3.92 -1.32 -1.26 -5.10 115.64 108.48 2hde s THR 8 Ca 0.60 -0.50 -0.29 0.00 -1.21 0.00 0.00 61.69 60.29 2hde s THR 8 Cb -0.13 -0.67 0.01 0.00 -1.51 0.00 0.00 72.50 70.20 2hde s THR 8 CO 0.53 -0.28 1.03 -1.10 -2.21 0.00 0.00 174.62 172.60 2hde s GLN 9 N -1.51 4.28 -0.14 7.08 -0.21 -1.26 -5.02 119.66 122.88 2hde s GLN 9 Ca -0.12 1.36 -0.13 0.00 0.02 0.00 0.00 55.36 56.48 2hde s GLN 9 Cb -0.05 -3.63 0.04 0.00 1.00 0.00 0.00 33.01 30.38 2hde s GLN 9 CO 0.03 -0.58 0.38 -1.21 -2.12 0.00 0.00 175.29 171.79 2hde s GLU 10 N 3.01 0.44 0.32 2.91 2.02 -1.26 -5.17 118.70 120.97 2hde s GLU 10 Ca 0.44 0.53 0.10 0.00 0.02 0.00 0.00 54.97 56.07 2hde s GLU 10 Cb -0.15 0.21 -0.06 0.00 0.10 0.00 0.00 34.13 34.23 2hde s GLU 10 CO 0.08 -0.06 -0.13 -1.83 0.02 0.00 0.00 175.26 173.34 2hde s GLU 11 N 0.23 1.77 -0.27 1.61 1.03 -1.26 -5.06 118.70 116.75 2hde s GLU 11 Ca -0.00 -1.86 0.08 0.00 0.03 0.00 0.00 54.97 53.22 2hde s GLU 11 Cb -0.03 -1.74 0.45 0.00 -0.80 0.00 0.00 34.13 32.02 2hde s GLU 11 CO 0.00 0.22 1.19 -0.89 -1.33 0.00 0.00 175.26 174.45 2hde n ILE 12 N -0.73 2.41 -3.32 1.83 5.41 -1.26 -4.91 119.36 118.79 2hde n ILE 12 Ca -0.05 -3.95 -0.40 0.00 1.00 0.00 0.00 62.75 59.35 2hde n ILE 12 Cb 0.62 -0.86 -0.02 0.00 -0.71 0.00 0.00 39.64 38.66 2hde n ILE 12 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2hde n LYS 13 N -0.78 3.50 -2.12 0.38 2.85 -1.26 -4.81 118.16 115.92 2hde n LYS 13 Ca 0.37 -4.52 -0.26 0.00 -1.05 0.00 0.00 58.31 52.86 2hde n LYS 13 Cb 0.91 -2.47 0.02 0.00 -0.65 0.00 0.00 35.03 32.83 2hde n LYS 13 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2hde n LYS 14 N 1.95 3.52 -3.67 -1.58 4.76 -1.26 -4.95 118.16 116.93 2hde n LYS 14 Ca 0.25 -4.22 -0.29 0.00 -2.87 0.00 0.00 58.31 51.18 2hde n LYS 14 Cb 0.37 -2.27 -0.16 0.00 -1.84 0.00 0.00 35.03 31.13 2hde n LYS 14 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hde s GLU 15 N -3.60 0.50 0.04 1.97 2.12 -1.26 -5.02 118.70 113.46 2hde s GLU 15 Ca 0.51 -0.66 -0.19 0.00 0.36 0.00 0.00 54.97 54.99 2hde s GLU 15 Cb 0.41 -1.79 -0.16 0.00 0.26 0.00 0.00 34.13 32.86 2hde s GLU 15 CO -0.03 -0.87 1.28 -1.00 -0.54 0.00 0.00 175.26 174.10 2hde h PRO 16 N 8.25 0.46 -7.34 4.30 0.13 -2.03 -3.45 132.00 132.31 2hde h PRO 16 Ca -0.16 -0.31 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 2hde h PRO 16 Cb 1.05 0.04 0.06 0.00 0.13 0.00 0.00 31.00 32.29 2hde h PRO 16 CO 0.41 0.92 0.39 -1.21 -0.23 0.00 0.00 178.00 178.29 2hde s GLU 17 N -3.95 3.50 -0.18 0.86 2.02 -1.26 -5.06 118.70 114.64 2hde s GLU 17 Ca -0.13 0.67 -0.13 0.00 0.02 0.00 0.00 54.97 55.39 2hde s GLU 17 Cb 0.05 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 2hde s GLU 17 CO 0.79 -0.60 0.25 0.21 0.02 0.00 0.00 175.26 175.93 2hde s LYS 18 N -5.17 4.22 1.20 1.61 2.47 -1.26 -5.09 119.74 117.73 2hde s LYS 18 Ca 0.55 -0.01 -0.20 0.00 -1.56 0.00 0.00 55.97 54.75 2hde s LYS 18 Cb -0.11 -3.44 0.29 0.00 -1.46 0.00 0.00 37.83 33.11 2hde s LYS 18 CO 0.53 0.23 1.14 -1.25 0.16 0.00 0.00 175.35 176.15 2hde s PRO 19 N 0.53 -1.24 0.18 4.03 0.04 -1.26 -5.05 135.00 132.23 2hde s PRO 19 Ca 0.14 -0.19 -0.06 0.00 0.04 0.00 0.00 61.00 60.92 2hde s PRO 19 Cb -0.13 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 2hde s PRO 19 CO 0.02 -3.70 0.44 0.42 0.04 0.00 0.00 177.00 174.22 2hde s ILE 20 N -3.12 5.08 -0.32 0.56 1.01 -1.26 -5.06 121.20 118.10 2hde s ILE 20 Ca 0.72 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 61.31 2hde s ILE 20 Cb -0.08 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2hde s ILE 20 CO 0.55 -0.01 0.82 -1.81 0.00 0.00 0.00 174.94 174.49 2hde s ASP 21 N -2.44 6.67 0.58 3.58 1.01 -1.26 -4.91 116.67 119.90 2hde s ASP 21 Ca 0.43 0.66 0.33 0.00 0.71 0.00 0.00 52.55 54.68 2hde s ASP 21 Cb -0.12 -2.42 1.33 0.00 1.01 0.00 0.00 42.92 42.72 2hde s ASP 21 CO 0.24 -0.66 1.62 0.03 0.21 0.00 0.00 175.17 176.61 2hde h ARG 22 N 8.17 0.00 0.00 8.23 -0.00 -1.97 0.42 114.38 129.22 2hde h ARG 22 Ca -0.24 0.00 -0.42 0.00 -0.50 0.00 0.00 59.98 58.82 2hde h ARG 22 Cb 1.09 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.00 2hde h ARG 22 CO 0.90 0.00 -2.40 -1.91 0.00 0.00 0.00 179.97 176.57 2hde n GLU 23 N -3.66 0.56 -0.52 0.04 2.13 -1.26 -4.50 120.64 113.43 2hde n GLU 23 Ca 0.22 0.24 -0.10 0.00 0.66 0.00 0.00 57.16 58.19 2hde n GLU 23 Cb 1.28 -1.44 0.08 0.00 0.27 0.00 0.00 31.44 31.63 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2hde n LYS 24 N -4.20 1.56 -1.83 5.31 4.76 -0.85 -4.93 118.16 117.98 2hde n LYS 24 Ca -0.50 -1.27 -0.31 0.00 -2.87 0.00 0.00 58.31 53.35 2hde n LYS 24 Cb 0.85 -1.51 0.02 0.00 -1.84 0.00 0.00 35.03 32.55 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2hde s THR 25 N -1.41 4.37 -0.03 -0.18 -1.32 0.14 -4.60 115.64 112.61 2hde s THR 25 Ca 0.24 0.83 -0.00 0.00 -1.21 0.00 0.00 61.69 61.55 2hde s THR 25 Cb 0.20 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.52 2hde s THR 25 CO 0.05 -0.94 0.02 -0.44 -2.21 0.00 0.00 174.62 171.09 2hde s SER 26 N -3.80 5.29 0.44 8.08 0.01 -1.26 -5.04 113.70 117.42 2hde s SER 26 Ca 0.57 0.08 -0.21 0.00 1.31 0.00 0.00 55.95 57.70 2hde s SER 26 Cb -0.12 -1.45 -0.10 0.00 0.21 0.00 0.00 66.02 64.56 2hde s SER 26 CO 0.51 0.31 0.98 -2.84 0.41 0.00 0.00 173.24 172.61 2hde s PRO 27 N -1.36 4.09 0.07 12.44 0.02 -1.26 -4.42 135.00 144.58 2hde s PRO 27 Ca 0.18 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.43 2hde s PRO 27 Cb -0.12 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2hde s PRO 27 CO 0.08 -0.16 -0.05 -0.48 -0.33 0.00 0.00 177.00 176.06 2hde s LEU 28 N -3.22 2.50 -0.20 -5.54 0.05 0.18 -4.88 118.68 107.57 2hde s LEU 28 Ca 0.63 -1.00 -0.23 0.00 0.05 0.00 0.00 54.13 53.59 2hde s LEU 28 Cb -0.12 0.07 -0.02 0.00 -2.05 0.00 0.00 46.19 44.07 2hde s LEU 28 CO 0.16 -0.54 0.74 -0.22 -0.55 0.00 0.00 176.35 175.95 2hde s LEU 29 N -2.96 4.13 0.06 1.48 2.96 -1.26 -2.02 118.68 121.07 2hde s LEU 29 Ca 0.09 0.98 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 2hde s LEU 29 Cb 0.07 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.66 2hde s LEU 29 CO -0.08 -0.38 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.21 2hde s LEU 30 N 2.25 2.24 -0.20 -0.68 2.96 -1.06 -4.71 118.68 119.48 2hde s LEU 30 Ca 0.33 -0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2hde s LEU 30 Cb -0.16 -0.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 2hde s LEU 30 CO 0.10 -0.02 -0.02 0.00 -1.32 0.00 0.00 176.35 175.09 2hde s ARG 31 N -1.52 3.55 -0.04 1.98 1.70 -1.26 -2.58 118.95 120.76 2hde s ARG 31 Ca 0.00 -0.56 0.04 0.00 -0.47 0.00 0.00 55.73 54.74 2hde s ARG 31 Cb -0.09 -3.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 2hde s ARG 31 CO 0.02 -0.01 -0.14 0.14 -1.08 0.00 0.00 175.30 174.22 2hde s VAL 32 N 1.03 1.23 -0.42 4.99 -7.23 -0.91 -3.02 120.40 116.09 2hde s VAL 32 Ca 0.01 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 2hde s VAL 32 Cb -0.14 -1.07 0.06 0.00 0.56 0.00 0.00 36.38 35.78 2hde s VAL 32 CO 0.01 0.36 0.28 -0.36 -0.31 0.00 0.00 175.10 175.08 2hde s PHE 33 N 0.15 3.29 -0.13 2.82 0.40 -0.89 0.14 117.98 123.76 2hde s PHE 33 Ca -0.05 -1.21 -0.04 0.00 -0.60 0.00 0.00 56.93 55.04 2hde s PHE 33 Cb -0.11 -2.86 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 2hde s PHE 33 CO 0.02 -0.78 -0.00 0.95 0.70 0.00 0.00 175.22 176.11 2hde s THR 34 N 1.52 4.25 0.39 0.64 -4.23 -0.99 0.35 115.64 117.56 2hde s THR 34 Ca 0.03 -0.25 0.07 0.00 -1.18 0.00 0.00 61.69 60.36 2hde s THR 34 Cb -0.22 -2.84 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2hde s THR 34 CO 0.05 0.54 0.54 0.42 -0.54 0.00 0.00 174.62 175.62 2hde s THR 35 N -0.20 3.51 -0.22 3.99 -4.23 -1.04 -4.75 115.64 112.70 2hde s THR 35 Ca 0.05 -0.96 0.15 0.00 -1.18 0.00 0.00 61.69 59.75 2hde s THR 35 Cb -0.13 -3.21 0.64 0.00 1.34 0.00 0.00 72.50 71.15 2hde s THR 35 CO 0.02 -0.09 1.56 -3.20 -0.54 0.00 0.00 174.62 172.38 2hde n ASN 36 N -1.79 4.46 0.00 3.99 5.15 -1.26 -2.33 115.26 123.48 2hde n ASN 36 Ca 0.04 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.96 2hde n ASN 36 Cb 0.59 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2hde n ASN 37 N -0.18 0.00 -3.19 1.20 5.15 0.57 -4.48 115.26 114.33 2hde n ASN 37 Ca 0.26 -1.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.09 2hde n ASN 37 Cb 1.04 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 40.36 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hde n GLY 38 N 0.00 -0.81 3.14 8.20 0.00 0.33 -4.53 105.19 111.52 2hde n GLY 38 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 2hde n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 39 N -4.62 2.99 -0.09 1.61 3.00 -1.26 -4.86 118.95 115.72 2hde s ARG 39 Ca 0.30 -0.84 0.09 0.00 0.00 0.00 0.00 55.73 55.28 2hde s ARG 39 Cb -0.04 -2.52 0.43 0.00 0.00 0.00 0.00 34.95 32.82 2hde s ARG 39 CO 0.69 -0.15 1.23 -2.39 0.00 0.00 0.00 175.30 174.68 2hde n HIS 40 N 4.44 0.98 0.00 -0.53 1.44 -1.26 -4.77 115.22 115.53 2hde n HIS 40 Ca -0.21 -0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.14 2hde n HIS 40 Cb 0.50 -0.23 0.00 0.00 0.12 0.00 0.00 29.99 30.38 2hde n HIS 40 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2hde n HIS 41 N 0.46 0.00 -3.85 -1.40 8.25 -1.26 -4.88 115.22 112.53 2hde n HIS 41 Ca 0.15 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.56 2hde n HIS 41 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 2hde n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2hde s ARG 42 N -0.90 1.64 0.22 -0.41 0.52 -1.26 -5.03 118.95 113.73 2hde s ARG 42 Ca 0.00 -1.05 0.10 0.00 -0.52 0.00 0.00 55.73 54.26 2hde s ARG 42 Cb 0.00 0.47 0.11 0.00 0.52 0.00 0.00 34.95 36.05 2hde s ARG 42 CO 0.00 -0.77 1.46 0.52 0.02 0.00 0.00 175.30 176.53 2hde h MET 43 N 2.00 0.00 -0.54 3.54 2.86 -1.89 -3.15 114.93 117.76 2hde h MET 43 Ca -0.29 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.51 2hde h MET 43 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2hde h MET 43 CO 0.37 0.75 0.45 0.22 1.06 0.00 0.00 176.91 179.76 2hde h ASP 44 N 0.00 0.00 0.45 1.22 3.58 -1.83 0.41 116.42 120.25 2hde h ASP 44 Ca -0.01 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 2hde h ASP 44 Cb 1.40 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2hde h ASP 44 CO 0.10 0.00 -0.58 -0.33 -2.88 0.00 0.00 179.24 175.55 2hde h GLU 45 N 0.00 0.14 -2.00 0.28 4.39 -1.94 -3.40 114.58 112.05 2hde h GLU 45 Ca 0.25 -0.09 -0.37 0.00 0.34 0.00 0.00 59.36 59.49 2hde h GLU 45 Cb 1.16 0.01 -0.32 0.00 -0.10 0.00 0.00 28.75 29.50 2hde h GLU 45 CO -0.00 0.68 -0.69 -0.59 -1.16 0.00 0.00 179.01 177.25 2hde s PHE 46 N -3.76 -0.28 0.52 4.33 -0.12 0.14 -5.06 117.98 113.76 2hde s PHE 46 Ca -0.03 -0.77 0.04 0.00 -0.05 0.00 0.00 56.93 56.12 2hde s PHE 46 Cb 0.12 -0.43 0.04 0.00 -0.63 0.00 0.00 43.02 42.12 2hde s PHE 46 CO 0.78 -0.96 0.72 -1.12 -0.05 0.00 0.00 175.22 174.59 2hde s SER 47 N 1.53 5.32 -0.44 1.98 0.01 -0.98 -4.80 113.70 116.33 2hde s SER 47 Ca 0.16 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 2hde s SER 47 Cb -0.15 -0.64 0.02 0.00 0.21 0.00 0.00 66.02 65.45 2hde s SER 47 CO -0.07 -1.09 1.32 0.00 0.41 0.00 0.00 173.24 173.82 2hde s ARG 48 N -4.64 3.62 0.00 12.44 1.70 -1.26 -2.79 118.95 128.01 2hde s ARG 48 Ca 0.58 0.81 0.00 0.00 -0.47 0.00 0.00 55.73 56.64 2hde s ARG 48 Cb -0.09 -3.99 0.00 0.00 -0.57 0.00 0.00 34.95 30.30 2hde s ARG 48 CO 0.37 -1.52 0.00 0.41 -1.08 0.00 0.00 175.30 173.48 2hde n GLY 49 N 5.02 1.11 0.02 3.88 0.00 -1.26 -5.03 105.19 108.93 2hde n GLY 49 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hde n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2hde h ASN 50 N 0.00 0.00 -5.13 1.61 4.21 -1.92 -3.49 115.58 110.85 2hde h ASN 50 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 2hde h ASN 50 Cb 0.00 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.03 2hde h ASN 50 CO 0.00 0.21 -0.69 0.68 -1.29 0.00 0.00 177.43 176.34 2hde s VAL 51 N -1.26 0.17 0.01 2.81 -7.23 -1.26 -5.04 120.40 108.60 2hde s VAL 51 Ca -0.01 -1.44 0.32 0.00 -1.81 0.00 0.00 61.98 59.03 2hde s VAL 51 Cb 0.00 -1.00 0.34 0.00 0.56 0.00 0.00 36.38 36.28 2hde s VAL 51 CO 0.02 -0.79 1.94 -0.65 -0.31 0.00 0.00 175.10 175.31 2hde h PRO 52 N 3.77 0.00 -0.25 4.82 0.11 -1.95 -2.15 132.00 136.35 2hde h PRO 52 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2hde h PRO 52 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2hde h PRO 52 CO 0.56 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.78 2hde n SER 53 N -2.76 2.21 0.00 -2.05 7.64 -1.26 -4.55 113.62 112.85 2hde n SER 53 Ca 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.07 2hde n SER 53 Cb 0.22 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2hde n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2hde n SER 54 N 0.68 0.00 -4.81 6.43 3.41 -0.81 -4.68 113.62 113.85 2hde n SER 54 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.40 2hde n SER 54 Cb 0.41 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.29 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2hde s GLU 55 N -0.02 4.03 -0.02 4.33 -1.05 -1.26 -2.35 118.70 122.36 2hde s GLU 55 Ca 0.00 0.40 0.06 0.00 -0.15 0.00 0.00 54.97 55.28 2hde s GLU 55 Cb 0.00 -3.28 -0.01 0.00 -0.44 0.00 0.00 34.13 30.40 2hde s GLU 55 CO 0.00 0.56 -0.21 -0.48 0.95 0.00 0.00 175.26 176.08 2hde s LEU 56 N -0.65 2.02 -0.13 1.83 2.34 0.12 -4.90 118.68 119.31 2hde s LEU 56 Ca 0.24 -0.39 -0.17 0.00 0.06 0.00 0.00 54.13 53.87 2hde s LEU 56 Cb -0.16 -1.09 -0.04 0.00 -0.56 0.00 0.00 46.19 44.33 2hde s LEU 56 CO 0.12 0.24 0.44 -1.10 -1.06 0.00 0.00 176.35 174.99 2hde s GLN 57 N -0.37 4.31 -0.00 1.48 -1.52 -1.26 -2.13 119.66 120.17 2hde s GLN 57 Ca 0.05 0.36 0.01 0.00 -1.95 0.00 0.00 55.36 53.84 2hde s GLN 57 Cb -0.09 -3.44 -0.00 0.00 -0.22 0.00 0.00 33.01 29.25 2hde s GLN 57 CO 0.00 0.15 -0.05 0.96 -0.25 0.00 0.00 175.29 176.11 2hde s ILE 58 N 0.67 0.36 -0.68 1.08 -5.25 -1.07 -4.96 121.20 111.35 2hde s ILE 58 Ca 0.24 -0.25 -0.20 0.00 -0.99 0.00 0.00 60.65 59.45 2hde s ILE 58 Cb -0.15 -0.32 0.10 0.00 2.95 0.00 0.00 42.46 45.05 2hde s ILE 58 CO 0.09 0.07 0.86 -0.31 -1.79 0.00 0.00 174.94 173.86 2hde s TYR 59 N -0.19 2.94 0.30 1.37 2.02 -1.26 -2.58 117.35 119.96 2hde s TYR 59 Ca 0.01 -0.94 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 2hde s TYR 59 Cb -0.02 -4.14 -0.01 0.00 -0.40 0.00 0.00 41.96 37.38 2hde s TYR 59 CO -0.00 -1.43 0.13 -2.37 -1.57 0.00 0.00 175.55 170.31 2hde n THR 60 N 5.59 0.00 -3.96 -0.71 5.66 -0.86 -4.69 114.28 115.31 2hde n THR 60 Ca -0.01 -1.82 -0.27 0.00 -3.05 0.00 0.00 64.05 58.91 2hde n THR 60 Cb 0.45 0.70 -0.17 0.00 -1.55 0.00 0.00 70.33 69.76 2hde n THR 60 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 2hde s TRP 61 N -2.78 1.50 0.27 1.09 -2.14 -1.26 0.51 118.94 116.14 2hde s TRP 61 Ca 0.19 -0.74 0.21 0.00 2.66 0.00 0.00 56.10 58.42 2hde s TRP 61 Cb 0.01 -1.23 0.90 0.00 -3.10 0.00 0.00 33.47 30.05 2hde s TRP 61 CO 0.13 -0.50 0.91 -1.33 -2.66 0.00 0.00 176.95 173.50 2hde n MET 62 N 4.85 -0.02 -0.45 3.25 2.81 -1.26 0.23 117.12 126.53 2hde n MET 62 Ca -0.13 0.71 -0.09 0.00 -1.81 0.00 0.00 57.70 56.38 2hde n MET 62 Cb 0.50 -1.44 0.07 0.00 -0.71 0.00 0.00 33.22 31.64 2hde n MET 62 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2hde n ASP 63 N -3.67 3.27 -4.89 7.83 -0.08 -1.26 -1.78 116.55 115.97 2hde n ASP 63 Ca 0.24 -2.58 -0.32 0.00 -1.51 0.00 0.00 54.79 50.62 2hde n ASP 63 Cb 0.97 -0.62 -0.05 0.00 2.34 0.00 0.00 41.12 43.76 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hde s ALA 64 N -1.20 3.71 0.54 -1.67 0.00 0.62 -4.70 121.76 119.05 2hde s ALA 64 Ca 0.21 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 2hde s ALA 64 Cb 0.17 -2.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.98 2hde s ALA 64 CO 0.04 0.61 1.00 0.95 0.00 0.00 0.00 175.76 178.36 2hde s THR 65 N -1.70 4.45 0.50 0.00 -4.23 -1.26 -0.69 115.64 112.72 2hde s THR 65 Ca 0.43 1.12 0.31 0.00 -1.18 0.00 0.00 61.69 62.37 2hde s THR 65 Cb -0.12 -3.69 0.50 0.00 1.34 0.00 0.00 72.50 70.53 2hde s THR 65 CO 0.23 -0.73 1.81 -0.07 -0.54 0.00 0.00 174.62 175.32 2hde h LEU 66 N 0.68 0.13 0.07 4.79 3.38 0.17 0.13 115.31 124.66 2hde h LEU 66 Ca -0.46 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2hde h LEU 66 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2hde h LEU 66 CO 0.61 0.02 -0.03 0.50 0.09 0.00 0.00 178.44 179.63 2hde h LYS 67 N 0.11 -0.09 -0.99 1.13 3.64 -1.72 -2.01 116.57 116.64 2hde h LYS 67 Ca 0.55 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 60.09 2hde h LYS 67 Cb 1.96 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 33.71 2hde h LYS 67 CO -0.09 -0.01 0.61 1.49 -2.27 0.00 0.00 179.45 179.18 2hde h GLU 68 N -0.16 0.85 0.00 1.90 4.22 -1.06 0.32 114.58 120.65 2hde h GLU 68 Ca -0.01 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.33 2hde h GLU 68 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2hde h GLU 68 CO 0.02 0.56 -0.25 -0.07 -2.18 0.00 0.00 179.01 177.08 2hde h LEU 69 N 0.87 0.00 -1.23 1.64 -0.00 -1.33 -2.23 115.31 113.03 2hde h LEU 69 Ca 0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.34 2hde h LEU 69 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.31 2hde h LEU 69 CO -0.32 0.25 -0.18 0.74 -0.00 0.00 0.00 178.44 178.94 2hde h THR 70 N 0.00 1.22 0.17 0.22 2.02 0.38 -2.72 112.91 114.20 2hde h THR 70 Ca -0.00 -0.98 -0.31 0.00 0.77 0.00 0.00 66.41 65.89 2hde h THR 70 Cb 0.64 1.27 0.03 0.00 -1.74 0.00 0.00 68.15 68.35 2hde h THR 70 CO 0.03 0.31 -1.30 0.28 0.37 0.00 0.00 175.52 175.21 2hde h SER 71 N 0.29 0.86 -0.52 4.18 0.02 -1.13 -3.02 113.55 114.23 2hde h SER 71 Ca 0.05 -0.86 0.10 0.00 -0.84 0.00 0.00 61.79 60.24 2hde h SER 71 Cb 0.48 -0.27 -0.11 0.00 0.14 0.00 0.00 62.40 62.64 2hde h SER 71 CO 0.03 1.64 -0.29 -0.07 -1.14 0.00 0.00 176.83 177.00 2hde h LEU 72 N 0.21 -0.98 -0.69 5.07 3.38 -1.12 0.18 115.31 121.36 2hde h LEU 72 Ca -0.21 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2hde h LEU 72 Cb 1.99 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 43.20 2hde h LEU 72 CO 0.25 -0.29 0.36 0.58 0.09 0.00 0.00 178.44 179.43 2hde h VAL 73 N -0.16 1.22 -0.61 1.22 2.07 -1.60 -2.67 116.25 115.72 2hde h VAL 73 Ca 0.22 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.24 2hde h VAL 73 Cb 0.52 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 2hde h VAL 73 CO -0.61 0.25 0.27 0.11 0.02 0.00 0.00 177.57 177.61 2hde h LYS 74 N 0.95 0.48 0.00 1.57 6.56 -0.64 0.89 116.57 126.38 2hde h LYS 74 Ca 0.24 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.77 2hde h LYS 74 Cb 0.08 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2hde h LYS 74 CO -0.03 0.32 -0.15 0.93 -2.06 0.00 0.00 179.45 178.45 2hde h GLU 75 N 0.49 0.00 -0.33 3.15 5.08 -0.45 -2.42 114.58 120.11 2hde h GLU 75 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2hde h GLU 75 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hde h GLU 75 CO -0.26 0.15 0.00 0.28 -1.00 0.00 0.00 179.01 178.19 2hde n VAL 76 N -3.91 0.68 -3.40 3.13 0.31 -0.13 -4.89 118.33 110.12 2hde n VAL 76 Ca -0.02 -0.84 -0.11 0.00 -0.01 0.00 0.00 64.34 63.36 2hde n VAL 76 Cb 0.24 0.76 -0.09 0.00 -0.91 0.00 0.00 33.84 33.84 2hde n VAL 76 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2hde s TYR 77 N -1.08 -0.71 0.09 3.52 6.14 0.29 -5.03 117.35 120.57 2hde s TYR 77 Ca 0.27 0.76 -0.16 0.00 0.64 0.00 0.00 57.07 58.57 2hde s TYR 77 Cb 0.15 -0.04 -0.09 0.00 0.42 0.00 0.00 41.96 42.40 2hde s TYR 77 CO 0.21 -0.67 1.44 -1.35 0.64 0.00 0.00 175.55 175.81 2hde h PRO 78 N 8.21 0.60 0.00 4.97 0.11 -1.85 -2.99 132.00 141.05 2hde h PRO 78 Ca -0.19 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hde h PRO 78 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hde h PRO 78 CO 0.26 0.87 0.00 1.49 -0.21 0.00 0.00 178.00 180.41 2hde h GLU 79 N 0.34 0.00 0.10 1.05 4.57 -1.96 -1.87 114.58 116.80 2hde h GLU 79 Ca 0.06 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.98 2hde h GLU 79 Cb 0.71 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2hde h GLU 79 CO 0.05 0.00 -1.18 0.00 -1.18 0.00 0.00 179.01 176.70 2hde h ALA 80 N 2.00 0.16 0.00 2.92 0.00 -1.87 -3.24 119.26 119.23 2hde h ALA 80 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2hde h ALA 80 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hde h ALA 80 CO 0.00 1.03 0.05 0.00 0.00 0.00 0.00 179.25 180.33 2hde h ARG 81 N 0.06 0.00 -6.92 0.00 3.08 -1.35 -3.44 114.38 105.82 2hde h ARG 81 Ca -0.11 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.41 2hde h ARG 81 Cb 1.91 0.00 0.10 0.00 0.08 0.00 0.00 29.97 32.07 2hde h ARG 81 CO 0.19 0.00 0.79 0.15 -1.07 0.00 0.00 179.97 180.03 2hde s LYS 82 N -3.59 4.12 0.32 0.04 1.02 -1.23 -4.95 119.74 115.48 2hde s LYS 82 Ca -0.03 2.56 -0.29 0.00 0.02 0.00 0.00 55.97 58.24 2hde s LYS 82 Cb 0.07 -2.98 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 2hde s LYS 82 CO 0.21 -0.54 1.19 0.15 -0.92 0.00 0.00 175.35 175.44 2hde s LYS 83 N -1.78 4.44 0.00 1.68 3.01 -1.26 -3.12 119.74 122.71 2hde s LYS 83 Ca 0.55 1.98 0.00 0.00 -1.01 0.00 0.00 55.97 57.48 2hde s LYS 83 Cb -0.46 -3.06 0.00 0.00 -1.01 0.00 0.00 37.83 33.29 2hde s LYS 83 CO 0.60 -0.03 0.00 0.41 0.51 0.00 0.00 175.35 176.84 2hde n GLY 84 N 0.94 0.71 3.60 -3.33 0.00 -1.26 -4.74 105.19 101.11 2hde n GLY 84 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2hde n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hde s THR 85 N -2.10 4.45 -0.36 2.61 2.01 -1.18 -3.90 115.64 117.17 2hde s THR 85 Ca 0.00 1.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.97 2hde s THR 85 Cb 0.00 -4.44 0.00 0.00 0.01 0.00 0.00 72.50 68.07 2hde s THR 85 CO 0.00 -0.73 0.49 -2.28 -0.69 0.00 0.00 174.62 171.42 2hde s HIS 86 N 3.81 3.17 -0.07 4.92 2.46 -0.60 -2.27 115.29 126.72 2hde s HIS 86 Ca 0.41 0.07 0.05 0.00 0.47 0.00 0.00 55.06 56.06 2hde s HIS 86 Cb -0.10 -2.92 -0.01 0.00 -0.13 0.00 0.00 32.58 29.41 2hde s HIS 86 CO 0.24 -0.57 -0.21 -0.59 -2.47 0.00 0.00 174.74 171.13 2hde s PHE 87 N 2.35 2.54 -0.02 3.88 -0.12 -0.95 -0.75 117.98 124.91 2hde s PHE 87 Ca 0.17 -0.62 -0.02 0.00 -0.05 0.00 0.00 56.93 56.41 2hde s PHE 87 Cb -0.16 -1.64 -0.04 0.00 -0.63 0.00 0.00 43.02 40.55 2hde s PHE 87 CO 0.14 -0.15 0.12 -0.80 -0.05 0.00 0.00 175.22 174.48 2hde s ASN 88 N -0.18 5.98 -0.15 1.98 -0.87 -0.47 -0.74 114.94 120.50 2hde s ASN 88 Ca -0.02 0.25 -0.04 0.00 -1.57 0.00 0.00 52.86 51.48 2hde s ASN 88 Cb -0.14 -1.80 -0.03 0.00 -0.02 0.00 0.00 41.25 39.26 2hde s ASN 88 CO 0.04 0.29 -0.03 -0.36 -2.57 0.00 0.00 177.10 174.47 2hde s PHE 89 N -1.22 3.06 0.05 2.20 0.40 0.19 -1.68 117.98 120.98 2hde s PHE 89 Ca 0.23 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.28 2hde s PHE 89 Cb -0.12 -1.95 -0.00 0.00 0.51 0.00 0.00 43.02 41.46 2hde s PHE 89 CO 0.14 0.04 0.16 0.00 0.70 0.00 0.00 175.22 176.27 2hde s ALA 90 N 0.21 -0.23 -0.37 5.36 0.00 -0.90 -0.28 121.76 125.55 2hde s ALA 90 Ca -0.01 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2hde s ALA 90 Cb -0.14 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2hde s ALA 90 CO 0.03 -0.37 0.21 0.42 0.00 0.00 0.00 175.76 176.04 2hde s ILE 91 N -2.83 4.68 -0.02 0.00 1.01 0.45 0.20 121.20 124.69 2hde s ILE 91 Ca -0.03 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2hde s ILE 91 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.91 2hde s ILE 91 CO -0.05 -0.19 -0.04 0.68 0.00 0.00 0.00 174.94 175.34 2hde s VAL 92 N 1.58 0.39 0.12 2.92 -7.23 -0.81 -2.87 120.40 114.50 2hde s VAL 92 Ca 0.03 -0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 2hde s VAL 92 Cb -0.19 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.34 2hde s VAL 92 CO 0.07 0.14 0.15 0.72 -0.31 0.00 0.00 175.10 175.87 2hde s PHE 93 N 0.27 3.27 -0.51 2.82 -0.12 -1.26 -4.20 117.98 118.25 2hde s PHE 93 Ca -0.03 0.08 -0.27 0.00 -0.05 0.00 0.00 56.93 56.65 2hde s PHE 93 Cb -0.06 -1.61 -0.01 0.00 -0.63 0.00 0.00 43.02 40.70 2hde s PHE 93 CO -0.00 0.53 1.72 0.99 -0.05 0.00 0.00 175.22 178.41 2hde s THR 94 N -1.59 3.51 0.00 -4.49 2.01 -1.26 -4.86 115.64 108.97 2hde s THR 94 Ca 0.32 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2hde s THR 94 Cb -0.11 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.42 2hde s THR 94 CO 0.24 -0.82 0.00 0.47 -0.69 0.00 0.00 174.62 173.83 2hde n ASP 95 N 11.13 1.97 -3.99 3.53 9.92 -1.26 -5.06 116.55 132.79 2hde n ASP 95 Ca 0.19 -0.71 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 2hde n ASP 95 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 2hde n ASP 95 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2hde n VAL 96 N 0.00 0.00 0.05 2.53 0.24 -1.26 -4.77 118.33 115.12 2hde n VAL 96 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2hde n VAL 96 Cb 0.00 -0.01 0.03 0.00 -1.47 0.00 0.00 33.84 32.39 2hde n VAL 96 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2hde h LYS 97 N 0.00 0.41 -3.07 7.34 -0.00 -2.00 -3.41 116.57 115.84 2hde h LYS 97 Ca 0.00 -0.33 -0.59 0.00 -0.00 0.00 0.00 60.65 59.73 2hde h LYS 97 Cb 0.00 0.07 -0.40 0.00 -0.00 0.00 0.00 32.23 31.90 2hde h LYS 97 CO 0.00 0.97 -0.77 1.03 -0.00 0.00 0.00 179.45 180.67 2hde s ARG 98 N -3.63 0.81 0.00 0.07 1.81 -1.26 -4.65 118.95 112.09 2hde s ARG 98 Ca -0.06 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.57 2hde s ARG 98 Cb 0.10 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.75 2hde s ARG 98 CO 0.84 -1.10 0.00 -0.35 -0.68 0.00 0.00 175.30 174.01 2hde n PRO 99 N 4.28 0.00 -3.08 3.54 -0.04 -1.26 -4.98 135.00 133.46 2hde n PRO 99 Ca 0.04 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 2hde n PRO 99 Cb 0.38 -0.41 0.04 0.00 -0.04 0.00 0.00 33.50 33.47 2hde n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hde n GLY 100 N 2.39 -0.43 0.00 0.55 0.00 -1.26 -4.94 105.19 101.49 2hde n GLY 100 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2hde n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hde n TYR 101 N -4.52 0.00 -3.33 1.61 4.01 -1.26 -4.90 117.16 108.77 2hde n TYR 101 Ca -0.08 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.40 2hde n TYR 101 Cb 0.60 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.54 2hde n TYR 101 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hde n ARG 102 N -2.01 1.72 -3.83 -0.72 5.12 -1.26 -5.04 116.66 110.63 2hde n ARG 102 Ca 0.00 -4.04 -0.27 0.00 -1.93 0.00 0.00 57.85 51.61 2hde n ARG 102 Cb 0.00 -1.81 -0.17 0.00 -1.16 0.00 0.00 32.46 29.32 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hde s VAL 103 N -1.87 0.82 0.18 1.55 0.11 -1.25 -4.52 120.40 115.41 2hde s VAL 103 Ca 0.37 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.73 2hde s VAL 103 Cb 0.15 -1.08 0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2hde s VAL 103 CO -0.06 0.05 0.58 -0.75 -3.33 0.00 0.00 175.10 171.59 2hde s LYS 104 N 1.75 1.34 0.23 1.54 2.20 -1.14 -4.97 119.74 120.70 2hde s LYS 104 Ca 0.01 -0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2hde s LYS 104 Cb -0.15 0.56 -0.05 0.00 -1.51 0.00 0.00 37.83 36.68 2hde s LYS 104 CO -0.07 -0.58 0.49 -1.21 -0.36 0.00 0.00 175.35 173.61 2hde s GLU 105 N -3.80 3.63 0.00 4.03 2.02 -1.26 -0.41 118.70 122.90 2hde s GLU 105 Ca 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.98 2hde s GLU 105 Cb -0.01 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2hde s GLU 105 CO -0.08 0.32 0.00 0.44 0.02 0.00 0.00 175.26 175.95 2hde n ILE 106 N -0.57 0.00 0.00 -1.63 -6.64 0.61 -4.93 119.36 106.20 2hde n ILE 106 Ca -0.02 -0.10 0.00 0.00 -1.77 0.00 0.00 62.75 60.85 2hde n ILE 106 Cb 0.53 0.58 0.00 0.00 -1.44 0.00 0.00 39.64 39.31 2hde n ILE 106 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2hde n GLY 107 N 1.97 1.90 3.15 3.28 0.00 -1.18 -5.03 105.19 109.28 2hde n GLY 107 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2hde n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hde s SER 108 N 0.00 1.86 0.00 1.61 1.04 -1.26 0.57 113.70 117.52 2hde s SER 108 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2hde s SER 108 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2hde s SER 108 CO 0.00 0.16 0.00 0.35 0.98 0.00 0.00 173.24 174.73 2hde n THR 109 N 2.44 0.00 -4.01 2.02 -2.24 0.09 -4.63 114.28 107.95 2hde n THR 109 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2hde n THR 109 Cb 0.54 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 2hde n THR 109 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hde s MET 110 N -1.59 1.15 -1.14 -0.78 -1.94 -1.25 -2.23 119.30 111.51 2hde s MET 110 Ca 0.00 -1.25 -0.21 0.00 -1.71 0.00 0.00 55.69 52.51 2hde s MET 110 Cb 0.00 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.19 2hde s MET 110 CO 0.00 -0.41 1.77 0.45 -0.01 0.00 0.00 175.02 176.82 2hde s SER 111 N -3.00 5.96 0.00 3.03 0.15 -0.96 -3.41 113.70 115.47 2hde s SER 111 Ca 0.20 -1.72 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2hde s SER 111 Cb 0.04 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2hde s SER 111 CO 0.02 -2.06 0.00 0.61 1.20 0.00 0.00 173.24 173.00 2hde n GLY 112 N 6.07 0.48 3.04 9.45 0.00 -1.26 -4.24 105.19 118.74 2hde n GLY 112 Ca 0.43 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2hde n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 113 N -2.36 2.09 -0.42 1.61 0.52 -1.22 -5.07 118.95 114.09 2hde s ARG 113 Ca 0.00 -1.33 -0.27 0.00 -0.52 0.00 0.00 55.73 53.61 2hde s ARG 113 Cb 0.00 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2hde s ARG 113 CO 0.00 -0.60 1.95 0.21 0.02 0.00 0.00 175.30 176.87 2hde s LYS 114 N 1.13 2.93 0.00 3.54 2.20 -1.26 -3.94 119.74 124.34 2hde s LYS 114 Ca -0.07 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 2hde s LYS 114 Cb -0.20 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.80 2hde s LYS 114 CO -0.05 -2.34 0.00 0.41 -0.36 0.00 0.00 175.35 173.00 2hde n GLY 115 N 5.62 0.96 0.11 5.54 0.00 -1.26 -5.01 105.19 111.14 2hde n GLY 115 Ca 0.25 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 2hde n GLY 115 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hde h THR 116 N -0.16 1.04 0.00 2.61 2.02 -1.93 -3.35 112.91 113.14 2hde h THR 116 Ca 0.00 -2.74 -0.12 0.00 0.77 0.00 0.00 66.41 64.32 2hde h THR 116 Cb 0.00 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2hde h THR 116 CO 0.00 0.77 -0.68 0.44 0.37 0.00 0.00 175.52 176.42 2hde h ASP 117 N 0.05 0.00 -1.02 4.18 5.19 -1.96 -3.33 116.42 119.53 2hde h ASP 117 Ca -0.27 0.00 0.26 0.00 -0.62 0.00 0.00 57.03 56.40 2hde h ASP 117 Cb 2.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 41.39 2hde h ASP 117 CO 0.13 0.51 0.62 0.44 -3.12 0.00 0.00 179.24 177.82 2hde h ASP 118 N 0.00 0.61 0.45 6.45 3.32 -1.82 0.85 116.42 126.27 2hde h ASP 118 Ca -0.03 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2hde h ASP 118 Cb 1.42 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2hde h ASP 118 CO 0.06 0.09 0.00 -1.54 -1.72 0.00 0.00 179.24 176.13 2hde n SER 119 N -4.82 0.00 -4.89 6.45 3.41 -1.25 -1.93 113.62 110.59 2hde n SER 119 Ca 0.27 0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.67 2hde n SER 119 Cb 0.80 -0.33 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 2hde n SER 119 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2hde s MET 120 N -2.65 3.18 0.26 4.33 -2.45 0.30 -4.80 119.30 117.47 2hde s MET 120 Ca 0.18 0.46 0.09 0.00 -1.25 0.00 0.00 55.69 55.17 2hde s MET 120 Cb 0.14 -2.12 -0.04 0.00 1.25 0.00 0.00 34.83 34.06 2hde s MET 120 CO 0.32 -0.74 -0.00 0.95 1.05 0.00 0.00 175.02 176.60 2hde s THR 121 N -3.18 3.48 0.08 10.11 -4.23 -1.26 0.13 115.64 120.77 2hde s THR 121 Ca 0.55 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.96 2hde s THR 121 Cb -0.11 -2.85 -0.13 0.00 1.34 0.00 0.00 72.50 70.75 2hde s THR 121 CO 0.51 -0.36 1.68 -0.07 -0.54 0.00 0.00 174.62 175.83 2hde h LEU 122 N 1.93 0.10 -1.65 4.79 3.38 -0.91 -2.66 115.31 120.28 2hde h LEU 122 Ca -0.44 -0.09 0.33 0.00 0.09 0.00 0.00 57.88 57.77 2hde h LEU 122 Cb 1.25 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2hde h LEU 122 CO 0.60 0.15 0.80 0.06 0.09 0.00 0.00 178.44 180.14 2hde h GLN 123 N 0.03 0.17 0.00 1.13 3.07 -1.56 1.17 115.11 119.12 2hde h GLN 123 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2hde h GLN 123 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2hde h GLN 123 CO -0.00 0.11 0.00 1.03 0.09 0.00 0.00 178.83 180.06 2hde h SER 124 N 0.18 0.00 -0.35 0.06 0.87 -1.80 -3.03 113.55 109.48 2hde h SER 124 Ca 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 2hde h SER 124 Cb 2.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.00 2hde h SER 124 CO -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.12 2hde n GLN 125 N -2.44 2.35 -0.85 2.24 6.02 0.40 -4.88 117.38 120.22 2hde n GLN 125 Ca 0.04 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 2hde n GLN 125 Cb 0.37 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2hde n GLN 125 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2hde n LYS 126 N 0.51 -0.56 -2.84 -1.09 5.02 -1.14 -4.98 118.16 113.09 2hde n LYS 126 Ca 0.14 0.14 -0.35 0.00 -2.02 0.00 0.00 58.31 56.22 2hde n LYS 126 Cb 0.49 -3.89 -0.07 0.00 -0.02 0.00 0.00 35.03 31.54 2hde n LYS 126 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2hde s PHE 127 N -1.86 3.47 0.13 2.13 5.36 -1.23 -5.06 117.98 120.91 2hde s PHE 127 Ca 0.00 1.64 -0.00 0.00 -0.96 0.00 0.00 56.93 57.61 2hde s PHE 127 Cb 0.00 -2.85 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 2hde s PHE 127 CO 0.00 0.04 0.03 1.14 -1.46 0.00 0.00 175.22 174.97 2hde s GLN 128 N -2.70 0.93 0.09 10.12 -2.07 -1.26 -4.44 119.66 120.32 2hde s GLN 128 Ca 0.56 -1.43 -0.31 0.00 -1.82 0.00 0.00 55.36 52.36 2hde s GLN 128 Cb -0.13 0.11 -0.10 0.00 -1.09 0.00 0.00 33.01 31.80 2hde s GLN 128 CO 0.18 -0.21 1.87 -0.89 -1.32 0.00 0.00 175.29 174.92 2hde n ILE 129 N -0.10 0.48 0.00 3.63 5.41 -1.26 -1.63 119.36 125.89 2hde n ILE 129 Ca -0.07 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.60 2hde n ILE 129 Cb 0.63 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 2hde n ILE 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hde n GLY 130 N 4.31 3.11 3.74 7.39 0.00 -1.26 -5.08 105.19 117.39 2hde n GLY 130 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2hde n GLY 130 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2hde s ASP 131 N -1.27 3.75 -0.28 1.61 1.11 -0.65 -5.01 116.67 115.93 2hde s ASP 131 Ca 0.00 1.44 -0.11 0.00 0.18 0.00 0.00 52.55 54.06 2hde s ASP 131 Cb 0.00 -2.13 -0.04 0.00 1.07 0.00 0.00 42.92 41.82 2hde s ASP 131 CO 0.00 -2.46 0.17 -0.31 1.18 0.00 0.00 175.17 173.76 2hde s TYR 132 N -3.00 3.20 -0.14 4.23 1.51 -1.26 -4.63 117.35 117.26 2hde s TYR 132 Ca 0.63 -0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 56.63 2hde s TYR 132 Cb -0.17 -2.36 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 2hde s TYR 132 CO 0.56 -0.22 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.27 2hde s LEU 133 N 1.73 3.45 -0.20 -1.29 1.43 -1.17 -1.93 118.68 120.71 2hde s LEU 133 Ca 0.07 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2hde s LEU 133 Cb -0.16 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2hde s LEU 133 CO 0.10 0.23 -0.15 -0.62 0.23 0.00 0.00 176.35 176.14 2hde s ASP 134 N -0.01 3.62 0.09 2.29 -1.08 0.13 -2.09 116.67 119.61 2hde s ASP 134 Ca 0.02 -0.73 0.02 0.00 -0.52 0.00 0.00 52.55 51.35 2hde s ASP 134 Cb -0.13 -1.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.74 2hde s ASP 134 CO 0.02 -0.04 0.12 -0.63 0.52 0.00 0.00 175.17 175.16 2hde s ILE 135 N 1.30 4.77 -0.27 4.11 1.09 0.16 -2.11 121.20 130.24 2hde s ILE 135 Ca 0.03 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.89 2hde s ILE 135 Cb -0.14 -3.32 0.08 0.00 -1.06 0.00 0.00 42.46 38.01 2hde s ILE 135 CO -0.09 0.10 0.01 0.00 -0.10 0.00 0.00 174.94 174.85 2hde s ALA 136 N -1.47 2.02 -0.27 9.38 0.00 -0.68 -2.48 121.76 128.26 2hde s ALA 136 Ca 0.31 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.42 2hde s ALA 136 Cb -0.12 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.40 2hde s ALA 136 CO 0.24 -1.41 0.62 0.42 0.00 0.00 0.00 175.76 175.63 2hde s ILE 137 N 1.36 4.98 -0.34 0.00 1.01 -0.98 -1.37 121.20 125.85 2hde s ILE 137 Ca 0.02 1.00 -0.06 0.00 0.00 0.00 0.00 60.65 61.60 2hde s ILE 137 Cb -0.18 -3.95 0.04 0.00 0.01 0.00 0.00 42.46 38.38 2hde s ILE 137 CO -0.11 -0.03 0.11 -0.89 0.00 0.00 0.00 174.94 174.02 2hde s THR 138 N 2.52 3.80 0.79 2.92 2.01 0.07 0.12 115.64 127.88 2hde s THR 138 Ca 0.25 -1.15 -0.13 0.00 0.31 0.00 0.00 61.69 60.97 2hde s THR 138 Cb -0.15 -3.17 0.08 0.00 0.01 0.00 0.00 72.50 69.27 2hde s THR 138 CO 0.10 -0.20 1.19 -2.84 -0.69 0.00 0.00 174.62 172.17 2hde s PRO 139 N 1.40 1.76 0.00 4.92 0.02 -1.26 -1.55 135.00 140.29 2hde s PRO 139 Ca -0.01 1.67 0.29 0.00 0.02 0.00 0.00 61.00 62.97 2hde s PRO 139 Cb -0.20 -1.80 1.70 0.00 0.02 0.00 0.00 34.50 34.23 2hde s PRO 139 CO 0.03 -2.10 2.06 -0.35 -0.33 0.00 0.00 177.00 176.31 2hde n PRO 140 N -3.26 0.85 -0.42 5.54 -0.04 -1.25 -3.11 135.00 133.31 2hde n PRO 140 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 2hde n PRO 140 Cb 0.51 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 2hde n PRO 140 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hde n ASN 141 N -1.04 3.45 -0.70 3.54 0.23 -1.26 -4.01 115.26 115.47 2hde n ASN 141 Ca 0.21 -2.26 -0.01 0.00 -0.53 0.00 0.00 54.58 51.99 2hde n ASN 141 Cb 0.12 -0.46 -0.01 0.00 -2.08 0.00 0.00 39.78 37.34 2hde n ASN 141 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2hde n ARG 142 N 0.83 0.00 -2.84 -3.83 0.63 -1.18 -5.07 116.66 105.20 2hde n ARG 142 Ca 0.19 -0.62 -0.43 0.00 -0.92 0.00 0.00 57.85 56.07 2hde n ARG 142 Cb 0.63 -0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.51 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hde s ALA 143 N 0.00 3.11 0.18 5.13 0.00 -1.25 -4.94 121.76 123.99 2hde s ALA 143 Ca 0.03 -1.95 -0.24 0.00 0.00 0.00 0.00 51.96 49.80 2hde s ALA 143 Cb 0.04 -3.92 0.06 0.00 0.00 0.00 0.00 23.12 19.30 2hde s ALA 143 CO -0.02 -2.85 1.56 -1.00 0.00 0.00 0.00 175.76 173.45 2hde h PRO 144 N 9.51 -0.16 -6.28 0.00 0.13 -1.95 -3.39 132.00 129.86 2hde h PRO 144 Ca -0.22 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.38 2hde h PRO 144 Cb 1.06 0.04 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2hde h PRO 144 CO 1.19 -0.11 1.29 -1.25 -0.23 0.00 0.00 178.00 178.89 2hde s PRO 145 N -5.83 3.92 0.73 1.56 0.04 -1.26 -4.98 135.00 129.18 2hde s PRO 145 Ca -0.14 2.48 -0.11 0.00 0.04 0.00 0.00 61.00 63.27 2hde s PRO 145 Cb 0.14 -4.21 0.03 0.00 0.04 0.00 0.00 34.50 30.51 2hde s PRO 145 CO 0.67 -1.21 1.09 -1.25 0.04 0.00 0.00 177.00 176.33 2hde s PRO 146 N 4.87 2.62 -0.30 0.56 0.04 -1.26 -5.06 135.00 136.47 2hde s PRO 146 Ca 0.91 0.64 0.02 0.00 0.04 0.00 0.00 61.00 62.60 2hde s PRO 146 Cb -0.40 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.23 2hde s PRO 146 CO 0.40 -1.25 -0.03 -1.54 0.04 0.00 0.00 177.00 174.63 2hde s SER 147 N -4.07 4.68 0.00 6.66 1.04 -1.26 -4.77 113.70 115.98 2hde s SER 147 Ca 0.59 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2hde s SER 147 Cb -0.13 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2hde s SER 147 CO 0.53 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2hde n GLY 148 N 4.45 2.52 0.91 7.32 0.00 -1.26 -5.33 105.19 113.80 2hde n GLY 148 Ca -0.09 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2hde n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19