#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hde n SER 3 N 0.00 3.34 -4.74 1.61 2.88 -1.26 -5.03 113.62 110.42 2hde n SER 3 Ca 0.00 -0.02 -0.37 0.00 -1.33 0.00 0.00 58.87 57.14 2hde n SER 3 Cb 0.00 0.24 0.06 0.00 -0.75 0.00 0.00 64.21 63.76 2hde n SER 3 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2hde s HIS 4 N -2.17 2.12 0.09 0.66 5.65 -1.26 -5.03 115.29 115.35 2hde s HIS 4 Ca -0.08 1.44 0.04 0.00 0.25 0.00 0.00 55.06 56.72 2hde s HIS 4 Cb 0.03 -3.75 -0.03 0.00 -1.18 0.00 0.00 32.58 27.65 2hde s HIS 4 CO 0.23 -2.97 -0.12 0.00 -0.65 0.00 0.00 174.74 171.23 2hde s MET 5 N -3.24 0.85 0.60 2.88 0.00 -1.26 -5.15 119.30 113.98 2hde s MET 5 Ca 0.80 -1.08 -0.12 0.00 0.00 0.00 0.00 55.69 55.29 2hde s MET 5 Cb -0.39 -0.67 -0.05 0.00 0.00 0.00 0.00 34.83 33.72 2hde s MET 5 CO 0.43 0.13 1.02 -0.98 0.00 0.00 0.00 175.02 175.61 2hde s ARG 6 N -2.37 3.64 0.02 3.16 3.03 -1.26 -5.02 118.95 120.16 2hde s ARG 6 Ca 0.03 0.76 0.00 0.00 2.03 0.00 0.00 55.73 58.55 2hde s ARG 6 Cb -0.06 -2.10 0.00 0.00 -1.03 0.00 0.00 34.95 31.77 2hde s ARG 6 CO 0.01 -0.52 0.00 1.33 -1.13 0.00 0.00 175.30 174.99 2hde n VAL 7 N -2.58 0.02 -1.95 4.99 0.24 -1.26 -5.12 118.33 112.67 2hde n VAL 7 Ca 0.06 0.01 -0.29 0.00 -2.04 0.00 0.00 64.34 62.08 2hde n VAL 7 Cb 0.54 -0.29 0.09 0.00 -1.47 0.00 0.00 33.84 32.71 2hde n VAL 7 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2hde s THR 8 N -1.08 2.04 -0.47 3.34 -1.32 -1.26 -5.02 115.64 111.87 2hde s THR 8 Ca 0.00 -0.04 -0.20 0.00 -1.21 0.00 0.00 61.69 60.24 2hde s THR 8 Cb 0.00 -3.00 0.04 0.00 -1.51 0.00 0.00 72.50 68.03 2hde s THR 8 CO 0.00 0.00 0.65 -1.10 -2.21 0.00 0.00 174.62 171.96 2hde s GLN 9 N -5.53 3.21 -0.05 7.08 -0.21 -1.26 -4.85 119.66 118.05 2hde s GLN 9 Ca 0.62 -0.59 0.25 0.00 0.02 0.00 0.00 55.36 55.67 2hde s GLN 9 Cb -0.11 -4.02 0.44 0.00 1.00 0.00 0.00 33.01 30.33 2hde s GLN 9 CO 0.48 -1.12 1.16 -0.85 -2.12 0.00 0.00 175.29 172.84 2hde n GLU 10 N 6.29 0.33 -3.80 2.91 -0.00 -1.26 -5.10 120.64 120.02 2hde n GLU 10 Ca -0.04 -2.29 -0.06 0.00 -0.00 0.00 0.00 57.16 54.78 2hde n GLU 10 Cb 0.47 -0.31 -0.02 0.00 -0.00 0.00 0.00 31.44 31.58 2hde n GLU 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2hde s GLU 11 N -0.72 1.52 -0.50 3.44 2.12 -1.26 -5.12 118.70 118.19 2hde s GLU 11 Ca 0.33 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 2hde s GLU 11 Cb 0.38 0.52 0.02 0.00 0.26 0.00 0.00 34.13 35.31 2hde s GLU 11 CO -0.15 -0.69 1.24 0.42 -0.54 0.00 0.00 175.26 175.54 2hde s ILE 12 N -3.64 4.05 -0.24 -3.70 1.09 -1.26 -4.99 121.20 112.51 2hde s ILE 12 Ca 0.11 1.02 0.01 0.00 -1.10 0.00 0.00 60.65 60.70 2hde s ILE 12 Cb -0.04 -4.53 0.06 0.00 -1.06 0.00 0.00 42.46 36.90 2hde s ILE 12 CO 0.04 -1.05 -0.06 -0.54 -0.10 0.00 0.00 174.94 173.24 2hde s LYS 13 N 4.80 1.69 -0.27 2.79 1.02 -1.26 -5.07 119.74 123.43 2hde s LYS 13 Ca 0.50 -1.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 2hde s LYS 13 Cb -0.09 -2.63 0.16 0.00 -0.52 0.00 0.00 37.83 34.75 2hde s LYS 13 CO 0.30 -0.61 0.48 -1.59 -0.92 0.00 0.00 175.35 173.01 2hde s LYS 14 N 1.35 0.45 0.25 1.68 -2.85 -1.26 -5.16 119.74 114.19 2hde s LYS 14 Ca -0.06 0.70 0.12 0.00 -1.00 0.00 0.00 55.97 55.73 2hde s LYS 14 Cb -0.19 -0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.50 2hde s LYS 14 CO -0.06 -0.67 -0.21 -1.21 0.10 0.00 0.00 175.35 173.29 2hde s GLU 15 N 2.68 1.62 0.00 1.78 2.02 -1.26 -5.15 118.70 120.39 2hde s GLU 15 Ca 0.16 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.47 2hde s GLU 15 Cb -0.15 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2hde s GLU 15 CO -0.19 0.35 0.00 -0.35 0.02 0.00 0.00 175.26 175.09 2hde n PRO 16 N -0.29 -0.70 -1.55 0.39 -0.04 -1.26 -4.76 135.00 126.80 2hde n PRO 16 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 2hde n PRO 16 Cb 0.58 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.00 2hde n PRO 16 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hde n GLU 17 N -1.16 1.27 -3.98 0.54 1.02 -1.26 -4.94 120.64 112.12 2hde n GLU 17 Ca 0.00 0.21 -0.24 0.00 -0.02 0.00 0.00 57.16 57.11 2hde n GLU 17 Cb 0.00 -3.09 -0.03 0.00 -0.02 0.00 0.00 31.44 28.30 2hde n GLU 17 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2hde s LYS 18 N 7.42 3.34 0.11 3.49 0.00 -1.26 -5.05 119.74 127.79 2hde s LYS 18 Ca 1.04 -0.73 -0.34 0.00 0.00 0.00 0.00 55.97 55.93 2hde s LYS 18 Cb -0.41 -2.87 -0.14 0.00 0.00 0.00 0.00 37.83 34.41 2hde s LYS 18 CO 0.34 0.47 1.59 -0.35 0.00 0.00 0.00 175.35 177.41 2hde n PRO 19 N -0.92 2.03 -3.38 1.78 -0.04 -1.26 -4.97 135.00 128.24 2hde n PRO 19 Ca -0.08 0.73 -0.38 0.00 -0.04 0.00 0.00 63.50 63.73 2hde n PRO 19 Cb 0.56 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 2hde n PRO 19 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2hde s ILE 20 N 1.32 4.90 -0.20 0.52 1.01 -1.26 -5.01 121.20 122.48 2hde s ILE 20 Ca 0.82 1.03 -0.28 0.00 0.00 0.00 0.00 60.65 62.21 2hde s ILE 20 Cb -0.72 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 2hde s ILE 20 CO 0.41 0.55 2.09 -1.81 0.00 0.00 0.00 174.94 176.19 2hde s ASP 21 N -1.00 5.69 0.61 3.58 1.01 -1.26 -4.82 116.67 120.48 2hde s ASP 21 Ca 0.26 1.89 0.28 0.00 0.71 0.00 0.00 52.55 55.69 2hde s ASP 21 Cb -0.18 -2.52 1.42 0.00 1.01 0.00 0.00 42.92 42.65 2hde s ASP 21 CO 0.16 -1.77 1.83 0.03 0.21 0.00 0.00 175.17 175.62 2hde h ARG 22 N 13.94 0.00 0.00 8.23 -0.00 -1.95 0.34 114.38 134.95 2hde h ARG 22 Ca -0.41 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 58.66 2hde h ARG 22 Cb 1.22 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.13 2hde h ARG 22 CO 0.97 0.00 -2.36 0.39 0.00 0.00 0.00 179.97 178.97 2hde n GLU 23 N -3.45 0.56 -0.57 0.04 -0.58 -1.26 -4.50 120.64 110.89 2hde n GLU 23 Ca 0.07 0.24 -0.10 0.00 -0.42 0.00 0.00 57.16 56.95 2hde n GLU 23 Cb 0.68 -1.44 0.09 0.00 -0.57 0.00 0.00 31.44 30.21 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2hde n LYS 24 N -4.21 1.70 -1.71 3.49 4.76 -1.04 -4.94 118.16 116.22 2hde n LYS 24 Ca -0.49 -1.43 -0.30 0.00 -2.87 0.00 0.00 58.31 53.22 2hde n LYS 24 Cb 0.84 -1.58 0.08 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.58 3.10 -0.09 -0.18 -1.32 0.12 -4.71 115.64 110.98 2hde s THR 25 Ca 0.27 0.36 -0.02 0.00 -1.21 0.00 0.00 61.69 61.08 2hde s THR 25 Cb 0.22 -3.22 -0.03 0.00 -1.51 0.00 0.00 72.50 67.96 2hde s THR 25 CO 0.05 -0.46 0.01 -0.94 -2.21 0.00 0.00 174.62 171.07 2hde s SER 26 N -4.14 5.31 0.45 8.08 1.04 -1.26 -5.06 113.70 118.11 2hde s SER 26 Ca 0.60 0.17 -0.15 0.00 0.48 0.00 0.00 55.95 57.05 2hde s SER 26 Cb -0.13 -1.51 -0.08 0.00 0.10 0.00 0.00 66.02 64.40 2hde s SER 26 CO 0.53 0.38 0.88 -2.16 0.98 0.00 0.00 173.24 173.85 2hde s PRO 27 N -0.89 3.92 -0.01 4.02 0.04 -1.26 -4.33 135.00 136.49 2hde s PRO 27 Ca 0.13 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 61.94 2hde s PRO 27 Cb -0.11 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.17 2hde s PRO 27 CO 0.02 -0.12 0.02 -0.48 0.04 0.00 0.00 177.00 176.49 2hde s LEU 28 N -3.78 1.74 -0.25 -3.56 0.05 0.19 -4.88 118.68 108.18 2hde s LEU 28 Ca 0.56 0.03 -0.28 0.00 0.05 0.00 0.00 54.13 54.50 2hde s LEU 28 Cb -0.10 0.02 0.01 0.00 -2.05 0.00 0.00 46.19 44.07 2hde s LEU 28 CO 0.28 -0.03 0.98 -0.22 -0.55 0.00 0.00 176.35 176.80 2hde s LEU 29 N 0.26 4.07 0.21 1.48 2.96 -1.26 -1.96 118.68 124.43 2hde s LEU 29 Ca -0.02 1.19 0.04 0.00 -0.22 0.00 0.00 54.13 55.11 2hde s LEU 29 Cb -0.03 -3.42 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 2hde s LEU 29 CO -0.01 -0.67 -0.02 -1.48 -1.32 0.00 0.00 176.35 172.85 2hde s LEU 30 N 3.18 2.25 -0.05 -0.68 0.05 -1.09 -4.68 118.68 117.67 2hde s LEU 30 Ca 0.41 -1.17 -0.16 0.00 0.05 0.00 0.00 54.13 53.27 2hde s LEU 30 Cb -0.14 -0.26 -0.05 0.00 -2.05 0.00 0.00 46.19 43.68 2hde s LEU 30 CO 0.08 -0.48 0.41 0.00 -0.55 0.00 0.00 176.35 175.82 2hde s ARG 31 N -3.84 4.07 0.10 1.48 1.70 -1.26 -2.70 118.95 118.50 2hde s ARG 31 Ca 0.25 0.39 0.04 0.00 -0.47 0.00 0.00 55.73 55.94 2hde s ARG 31 Cb 0.05 -3.30 -0.04 0.00 -0.57 0.00 0.00 34.95 31.09 2hde s ARG 31 CO 0.06 0.50 -0.11 0.14 -1.08 0.00 0.00 175.30 174.82 2hde s VAL 32 N -0.47 1.03 -0.23 4.99 -7.23 -0.09 -3.06 120.40 115.34 2hde s VAL 32 Ca 0.23 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2hde s VAL 32 Cb -0.16 -1.40 0.07 0.00 0.56 0.00 0.00 36.38 35.44 2hde s VAL 32 CO 0.12 -0.53 0.01 -0.36 -0.31 0.00 0.00 175.10 174.02 2hde s PHE 33 N -2.39 1.78 -0.25 2.82 0.40 -0.87 -0.02 117.98 119.45 2hde s PHE 33 Ca 0.06 -1.42 -0.06 0.00 -0.60 0.00 0.00 56.93 54.92 2hde s PHE 33 Cb -0.03 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 2hde s PHE 33 CO 0.01 -0.73 0.03 0.95 0.70 0.00 0.00 175.22 176.18 2hde s THR 34 N 1.60 3.82 0.22 0.64 -4.23 -0.88 0.32 115.64 117.13 2hde s THR 34 Ca -0.01 -0.44 0.06 0.00 -1.18 0.00 0.00 61.69 60.11 2hde s THR 34 Cb -0.18 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 2hde s THR 34 CO -0.09 0.31 0.20 0.28 -0.54 0.00 0.00 174.62 174.77 2hde s THR 35 N 1.53 4.57 -0.37 3.99 -1.32 -1.07 -4.70 115.64 118.26 2hde s THR 35 Ca 0.05 -1.24 0.07 0.00 -1.21 0.00 0.00 61.69 59.37 2hde s THR 35 Cb -0.15 -3.43 0.68 0.00 -1.51 0.00 0.00 72.50 68.09 2hde s THR 35 CO 0.00 -0.26 1.81 -3.20 -2.21 0.00 0.00 174.62 170.76 2hde n ASN 36 N -0.92 4.09 0.00 8.08 4.05 -1.25 -1.25 115.26 128.06 2hde n ASN 36 Ca -0.08 -3.45 0.00 0.00 0.45 0.00 0.00 54.58 51.50 2hde n ASN 36 Cb 0.57 -0.77 0.00 0.00 1.23 0.00 0.00 39.78 40.81 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2hde n ASN 37 N -0.71 2.63 -2.85 1.20 5.15 -0.63 -4.36 115.26 115.69 2hde n ASN 37 Ca 0.48 -0.12 -0.12 0.00 -0.60 0.00 0.00 54.58 54.22 2hde n ASN 37 Cb 1.47 0.77 0.06 0.00 -0.53 0.00 0.00 39.78 41.55 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 1.56 -0.48 3.52 8.20 0.00 0.23 -4.67 105.19 113.55 2hde n GLY 38 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.45 0.96 -0.11 1.61 0.52 -1.26 -4.87 118.95 111.35 2hde s ARG 39 Ca 0.21 0.13 0.09 0.00 -0.52 0.00 0.00 55.73 55.64 2hde s ARG 39 Cb -0.03 0.45 0.44 0.00 0.52 0.00 0.00 34.95 36.33 2hde s ARG 39 CO 0.56 -0.32 1.22 -2.39 0.02 0.00 0.00 175.30 174.39 2hde n HIS 40 N 0.68 1.04 0.00 -0.53 1.44 -1.26 -4.78 115.22 111.81 2hde n HIS 40 Ca -0.16 -0.38 0.00 0.00 -2.01 0.00 0.00 57.72 55.17 2hde n HIS 40 Cb 0.58 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.43 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 0.43 0.00 -3.98 -1.40 8.25 -1.26 -4.74 115.22 112.51 2hde n HIS 41 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 2hde n HIS 41 Cb 0.69 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.71 2hde n HIS 41 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2hde s ARG 42 N -0.91 0.64 0.45 -0.41 6.06 -1.26 -5.03 118.95 118.49 2hde s ARG 42 Ca 0.00 -0.99 0.12 0.00 -2.50 0.00 0.00 55.73 52.36 2hde s ARG 42 Cb 0.00 0.24 1.01 0.00 0.06 0.00 0.00 34.95 36.26 2hde s ARG 42 CO 0.00 -0.15 2.04 0.52 -2.50 0.00 0.00 175.30 175.20 2hde h MET 43 N 3.28 0.16 -0.65 5.12 2.86 -1.88 -1.92 114.93 121.91 2hde h MET 43 Ca -0.33 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.47 2hde h MET 43 Cb 1.17 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.77 2hde h MET 43 CO 0.58 0.20 0.57 0.38 1.06 0.00 0.00 176.91 179.71 2hde h ASP 44 N 0.16 0.00 0.74 1.22 3.04 -1.99 0.85 116.42 120.44 2hde h ASP 44 Ca 0.04 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.68 2hde h ASP 44 Cb 0.16 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.43 2hde h ASP 44 CO 0.01 0.00 -0.69 -0.08 -2.04 0.00 0.00 179.24 176.43 2hde h GLU 45 N 0.00 0.00 -2.17 4.15 4.81 -1.77 -3.38 114.58 116.22 2hde h GLU 45 Ca 0.31 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 59.01 2hde h GLU 45 Cb 1.45 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.48 2hde h GLU 45 CO -0.00 0.69 -0.91 -0.59 -0.73 0.00 0.00 179.01 177.47 2hde s PHE 46 N -3.39 0.68 0.65 0.92 -0.12 0.29 -4.92 117.98 112.09 2hde s PHE 46 Ca -0.01 -2.05 -0.01 0.00 -0.05 0.00 0.00 56.93 54.81 2hde s PHE 46 Cb 0.12 -0.73 0.08 0.00 -0.63 0.00 0.00 43.02 41.86 2hde s PHE 46 CO 0.77 -0.90 0.91 -1.12 -0.05 0.00 0.00 175.22 174.84 2hde s SER 47 N 0.20 4.79 -0.50 1.98 0.01 -0.74 -4.83 113.70 114.62 2hde s SER 47 Ca 0.32 -0.06 -0.14 0.00 1.31 0.00 0.00 55.95 57.39 2hde s SER 47 Cb 0.03 -0.58 0.11 0.00 0.21 0.00 0.00 66.02 65.79 2hde s SER 47 CO -0.17 -1.54 0.42 -0.13 0.41 0.00 0.00 173.24 172.23 2hde s ARG 48 N -5.02 2.84 0.00 12.44 0.52 -1.26 -4.27 118.95 124.20 2hde s ARG 48 Ca 0.62 -1.62 0.00 0.00 -0.52 0.00 0.00 55.73 54.21 2hde s ARG 48 Cb -0.08 -4.13 0.00 0.00 0.52 0.00 0.00 34.95 31.25 2hde s ARG 48 CO 0.42 -1.20 0.00 0.41 0.02 0.00 0.00 175.30 174.95 2hde n GLY 49 N 5.14 1.08 0.09 -3.53 0.00 -1.26 -4.99 105.19 101.73 2hde n GLY 49 Ca -0.12 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 2hde n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hde n ASN 50 N 0.39 0.20 -3.65 1.61 6.94 -1.26 -5.01 115.26 114.48 2hde n ASN 50 Ca 0.00 0.09 -0.04 0.00 -0.02 0.00 0.00 54.58 54.62 2hde n ASN 50 Cb 0.02 0.80 -0.07 0.00 -2.36 0.00 0.00 39.78 38.18 2hde n ASN 50 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2hde s VAL 51 N -2.57 0.00 -0.09 3.53 0.11 -1.26 -5.01 120.40 115.11 2hde s VAL 51 Ca -0.09 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.11 2hde s VAL 51 Cb 0.07 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.07 2hde s VAL 51 CO 0.83 0.00 1.38 -0.81 -3.33 0.00 0.00 175.10 173.17 2hde n PRO 52 N 2.05 0.10 -0.72 1.54 -0.04 -1.26 0.16 135.00 136.83 2hde n PRO 52 Ca -0.12 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 64.00 2hde n PRO 52 Cb 0.57 -2.03 0.37 0.00 -0.04 0.00 0.00 33.50 32.37 2hde n PRO 52 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2hde n SER 53 N -2.07 5.04 -0.01 3.54 7.64 -1.26 -4.53 113.62 121.97 2hde n SER 53 Ca -0.01 -2.63 -0.01 0.00 1.01 0.00 0.00 58.87 57.22 2hde n SER 53 Cb 0.22 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2hde n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2hde n SER 54 N 0.88 0.27 -4.43 6.43 2.88 0.12 -4.87 113.62 114.91 2hde n SER 54 Ca 0.26 0.05 -0.29 0.00 -1.33 0.00 0.00 58.87 57.56 2hde n SER 54 Cb 1.00 -0.49 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2hde s GLU 55 N -1.27 1.54 0.06 -1.46 -1.05 -1.26 -2.08 118.70 113.19 2hde s GLU 55 Ca -0.04 -1.33 0.01 0.00 -0.15 0.00 0.00 54.97 53.46 2hde s GLU 55 Cb 0.01 -1.96 -0.00 0.00 -0.44 0.00 0.00 34.13 31.74 2hde s GLU 55 CO 0.06 0.45 0.03 1.47 0.95 0.00 0.00 175.26 178.22 2hde n LEU 56 N 0.76 0.00 -4.25 1.83 -0.00 0.97 -4.88 117.00 111.43 2hde n LEU 56 Ca -0.16 -0.52 -0.27 0.00 -0.00 0.00 0.00 56.01 55.05 2hde n LEU 56 Cb 0.53 0.22 -0.15 0.00 -0.00 0.00 0.00 43.42 44.02 2hde n LEU 56 CO 0.26 -0.08 -0.53 -1.10 -0.00 0.00 0.00 177.39 175.93 2hde s GLN 57 N -2.24 1.63 -0.05 1.47 1.11 -1.26 -0.92 119.66 119.40 2hde s GLN 57 Ca 0.05 -0.86 0.00 0.00 0.01 0.00 0.00 55.36 54.56 2hde s GLN 57 Cb 0.00 -1.65 0.02 0.00 -1.01 0.00 0.00 33.01 30.38 2hde s GLN 57 CO 0.03 0.44 -0.02 0.96 0.01 0.00 0.00 175.29 176.71 2hde s ILE 58 N -0.63 0.39 -1.17 1.08 -4.36 -1.10 -4.91 121.20 110.50 2hde s ILE 58 Ca 0.08 -0.00 -0.13 0.00 -0.26 0.00 0.00 60.65 60.34 2hde s ILE 58 Cb -0.09 -0.46 0.19 0.00 1.25 0.00 0.00 42.46 43.35 2hde s ILE 58 CO 0.00 0.21 1.35 -0.31 0.24 0.00 0.00 174.94 176.43 2hde s TYR 59 N 1.19 3.62 0.56 1.37 1.51 -1.25 -2.66 117.35 121.68 2hde s TYR 59 Ca -0.07 -2.19 0.07 0.00 -1.01 0.00 0.00 57.07 53.87 2hde s TYR 59 Cb -0.14 -4.22 0.06 0.00 -0.11 0.00 0.00 41.96 37.55 2hde s TYR 59 CO -0.02 -1.32 0.54 -0.08 -1.11 0.00 0.00 175.55 173.56 2hde s THR 60 N 1.14 1.76 -0.11 -0.71 -1.32 -0.83 -4.38 115.64 111.19 2hde s THR 60 Ca 0.40 -1.33 0.02 0.00 -1.21 0.00 0.00 61.69 59.56 2hde s THR 60 Cb -0.04 -2.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.87 2hde s THR 60 CO -0.02 0.00 -0.15 -1.66 -2.21 0.00 0.00 174.62 170.58 2hde s TRP 61 N -2.75 2.00 0.30 9.09 -2.14 -1.26 0.53 118.94 124.70 2hde s TRP 61 Ca 0.43 -0.95 0.23 0.00 2.66 0.00 0.00 56.10 58.47 2hde s TRP 61 Cb -0.03 -1.44 0.98 0.00 -3.10 0.00 0.00 33.47 29.88 2hde s TRP 61 CO 0.27 -0.49 1.00 -1.33 -2.66 0.00 0.00 176.95 173.74 2hde n MET 62 N 4.22 -0.02 -1.20 3.25 2.81 -1.26 0.29 117.12 125.20 2hde n MET 62 Ca -0.19 0.79 -0.23 0.00 -1.81 0.00 0.00 57.70 56.26 2hde n MET 62 Cb 0.51 -1.59 0.18 0.00 -0.71 0.00 0.00 33.22 31.61 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 -3.84 3.76 -4.81 7.83 -0.08 -1.26 -0.77 116.55 117.38 2hde n ASP 63 Ca 0.26 -3.57 -0.38 0.00 -1.51 0.00 0.00 54.79 49.59 2hde n ASP 63 Cb 1.06 -0.83 -0.06 0.00 2.34 0.00 0.00 41.12 43.62 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 -3.23 3.63 0.68 -1.67 0.00 0.83 -4.70 121.76 117.29 2hde s ALA 64 Ca 0.56 -0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2hde s ALA 64 Cb 0.47 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2hde s ALA 64 CO 0.11 0.40 1.06 0.95 0.00 0.00 0.00 175.76 178.28 2hde s THR 65 N -0.94 3.89 0.51 0.00 -4.23 -1.26 -0.35 115.64 113.26 2hde s THR 65 Ca 0.26 0.68 0.30 0.00 -1.18 0.00 0.00 61.69 61.76 2hde s THR 65 Cb -0.18 -3.34 0.49 0.00 1.34 0.00 0.00 72.50 70.81 2hde s THR 65 CO 0.16 -0.74 1.84 -0.07 -0.54 0.00 0.00 174.62 175.27 2hde h LEU 66 N -0.49 0.09 0.24 4.79 -0.00 0.16 -0.19 115.31 119.91 2hde h LEU 66 Ca -0.44 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 2hde h LEU 66 Cb 1.22 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2hde h LEU 66 CO 0.56 0.02 -0.11 0.50 -0.00 0.00 0.00 178.44 179.41 2hde h LYS 67 N 0.09 -0.31 -0.95 1.13 3.64 -1.75 -2.45 116.57 115.97 2hde h LYS 67 Ca 0.50 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 60.11 2hde h LYS 67 Cb 1.83 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 33.60 2hde h LYS 67 CO -0.06 -0.07 0.51 0.93 -2.27 0.00 0.00 179.45 178.49 2hde h GLU 68 N -0.50 0.56 0.00 1.90 4.39 -1.35 0.57 114.58 120.15 2hde h GLU 68 Ca -0.03 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 2hde h GLU 68 Cb 0.38 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2hde h GLU 68 CO 0.05 0.37 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.84 2hde h LEU 69 N 0.58 0.00 -1.48 1.33 -0.00 -1.38 -2.23 115.31 112.12 2hde h LEU 69 Ca 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.44 2hde h LEU 69 Cb 1.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 2hde h LEU 69 CO -0.45 0.37 0.18 0.74 -0.00 0.00 0.00 178.44 179.28 2hde h THR 70 N 0.00 1.14 0.00 0.22 2.02 0.64 -2.29 112.91 114.63 2hde h THR 70 Ca -0.00 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2hde h THR 70 Cb 0.68 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2hde h THR 70 CO 0.05 0.16 -0.03 0.28 0.37 0.00 0.00 175.52 176.35 2hde h SER 71 N 0.53 0.02 -0.99 4.18 0.02 -1.13 -2.99 113.55 113.19 2hde h SER 71 Ca 0.14 -0.96 0.25 0.00 -0.84 0.00 0.00 61.79 60.37 2hde h SER 71 Cb 0.06 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 62.47 2hde h SER 71 CO -0.02 0.97 0.57 -0.07 -1.14 0.00 0.00 176.83 177.14 2hde h LEU 72 N -0.94 0.63 -0.18 5.07 3.38 -1.27 0.13 115.31 122.13 2hde h LEU 72 Ca -0.00 0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2hde h LEU 72 Cb 0.98 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2hde h LEU 72 CO 0.00 0.08 -0.29 0.58 0.09 0.00 0.00 178.44 178.91 2hde h VAL 73 N 0.55 1.34 -0.70 1.22 2.07 -1.52 -2.62 116.25 116.59 2hde h VAL 73 Ca 0.64 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2hde h VAL 73 Cb 1.23 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.86 2hde h VAL 73 CO -0.49 0.46 0.39 0.11 0.02 0.00 0.00 177.57 178.06 2hde h LYS 74 N 0.15 0.96 0.00 1.57 6.56 -0.77 0.62 116.57 125.66 2hde h LYS 74 Ca 0.01 -0.10 -0.10 0.00 -1.06 0.00 0.00 60.65 59.40 2hde h LYS 74 Cb 0.87 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 32.32 2hde h LYS 74 CO 0.07 0.70 -0.47 0.93 -2.06 0.00 0.00 179.45 178.62 2hde h GLU 75 N 0.97 0.00 -0.42 3.15 5.08 -0.86 -2.59 114.58 119.93 2hde h GLU 75 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2hde h GLU 75 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2hde h GLU 75 CO -0.04 0.47 0.00 1.55 -1.00 0.00 0.00 179.01 179.99 2hde n VAL 76 N -3.96 0.54 -3.52 3.13 3.14 -0.59 -4.83 118.33 112.24 2hde n VAL 76 Ca -0.02 -0.74 -0.12 0.00 -2.96 0.00 0.00 64.34 60.50 2hde n VAL 76 Cb 0.49 0.88 -0.10 0.00 -1.06 0.00 0.00 33.84 34.05 2hde n VAL 76 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 2hde s TYR 77 N -1.46 -0.62 0.01 1.45 6.14 0.21 -4.99 117.35 118.09 2hde s TYR 77 Ca 0.39 0.90 -0.26 0.00 0.64 0.00 0.00 57.07 58.75 2hde s TYR 77 Cb 0.23 -0.00 -0.15 0.00 0.42 0.00 0.00 41.96 42.45 2hde s TYR 77 CO 0.31 -0.56 1.14 -1.35 0.64 0.00 0.00 175.55 175.74 2hde h PRO 78 N 8.23 -0.72 -0.40 4.97 0.11 -1.86 -3.12 132.00 139.22 2hde h PRO 78 Ca -0.17 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.11 2hde h PRO 78 Cb 1.13 0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2hde h PRO 78 CO 0.21 -0.41 0.51 1.49 -0.21 0.00 0.00 178.00 179.58 2hde h GLU 79 N -1.06 0.00 -0.12 1.05 4.57 -1.97 0.10 114.58 117.14 2hde h GLU 79 Ca -0.08 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.93 2hde h GLU 79 Cb 0.63 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2hde h GLU 79 CO 0.12 0.00 -0.65 0.00 -1.18 0.00 0.00 179.01 177.30 2hde h ALA 80 N 1.37 0.64 0.00 2.92 0.00 -1.87 -3.07 119.26 119.24 2hde h ALA 80 Ca 0.19 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2hde h ALA 80 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2hde h ALA 80 CO -0.00 0.73 0.21 -0.09 0.00 0.00 0.00 179.25 180.09 2hde h ARG 81 N 0.34 0.00 -6.71 0.00 9.65 -0.80 -3.43 114.38 113.43 2hde h ARG 81 Ca -0.02 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.29 2hde h ARG 81 Cb 1.21 0.00 0.11 0.00 -1.39 0.00 0.00 29.97 29.90 2hde h ARG 81 CO 0.12 0.00 0.48 1.17 2.80 0.00 0.00 179.97 184.54 2hde n LYS 82 N -2.44 2.05 -2.49 0.20 4.81 -1.16 -4.93 118.16 114.20 2hde n LYS 82 Ca -0.02 0.72 -0.41 0.00 -0.87 0.00 0.00 58.31 57.73 2hde n LYS 82 Cb 0.25 -2.29 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 2hde n LYS 82 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2hde s LYS 83 N -1.72 4.57 0.00 1.64 2.20 -1.26 -3.25 119.74 121.93 2hde s LYS 83 Ca 0.57 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2hde s LYS 83 Cb -0.59 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2hde s LYS 83 CO 0.61 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 176.04 2hde n GLY 84 N 2.15 0.77 3.65 5.54 0.00 -1.26 -4.86 105.19 111.18 2hde n GLY 84 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 4.20 -0.39 2.61 2.01 -1.20 -4.51 115.64 116.10 2hde s THR 85 Ca 0.00 1.42 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 2hde s THR 85 Cb 0.00 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.50 2hde s THR 85 CO 0.00 -0.24 0.31 -2.28 -0.69 0.00 0.00 174.62 171.72 2hde s HIS 86 N 3.84 3.22 0.01 4.92 2.46 -0.93 -2.19 115.29 126.63 2hde s HIS 86 Ca 0.56 -0.40 0.09 0.00 0.47 0.00 0.00 55.06 55.78 2hde s HIS 86 Cb -0.21 -2.61 -0.02 0.00 -0.13 0.00 0.00 32.58 29.61 2hde s HIS 86 CO 0.18 -0.53 -0.26 -0.59 -2.47 0.00 0.00 174.74 171.07 2hde s PHE 87 N 1.79 2.32 -0.11 3.88 -0.71 -0.93 -0.51 117.98 123.72 2hde s PHE 87 Ca 0.07 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 2hde s PHE 87 Cb -0.18 -1.45 -0.02 0.00 -1.21 0.00 0.00 43.02 40.16 2hde s PHE 87 CO 0.11 0.03 -0.11 -0.80 -1.34 0.00 0.00 175.22 173.11 2hde s ASN 88 N -0.87 4.27 -0.13 1.98 -0.87 -0.56 -0.54 114.94 118.22 2hde s ASN 88 Ca 0.11 -0.21 -0.16 0.00 -1.57 0.00 0.00 52.86 51.02 2hde s ASN 88 Cb -0.10 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.25 39.66 2hde s ASN 88 CO 0.00 0.23 0.40 -0.36 -2.57 0.00 0.00 177.10 174.81 2hde s PHE 89 N -0.04 3.51 0.26 2.20 0.40 0.17 -1.21 117.98 123.28 2hde s PHE 89 Ca -0.02 0.78 -0.12 0.00 -0.60 0.00 0.00 56.93 56.98 2hde s PHE 89 Cb -0.14 -2.45 -0.00 0.00 0.51 0.00 0.00 43.02 40.94 2hde s PHE 89 CO 0.04 0.23 0.49 0.00 0.70 0.00 0.00 175.22 176.67 2hde s ALA 90 N 0.45 -0.14 -0.22 5.36 0.00 -0.97 -0.53 121.76 125.71 2hde s ALA 90 Ca 0.22 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2hde s ALA 90 Cb -0.14 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.07 2hde s ALA 90 CO 0.08 -0.85 -0.14 0.42 0.00 0.00 0.00 175.76 175.27 2hde s ILE 91 N -3.83 2.32 0.11 0.00 1.01 0.26 0.25 121.20 121.31 2hde s ILE 91 Ca 0.23 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.76 2hde s ILE 91 Cb -0.01 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2hde s ILE 91 CO 0.10 0.29 -0.08 0.54 0.00 0.00 0.00 174.94 175.79 2hde s VAL 92 N 1.25 0.85 -0.06 2.92 0.11 -0.91 -2.63 120.40 121.92 2hde s VAL 92 Ca -0.00 -1.87 0.05 0.00 -2.93 0.00 0.00 61.98 57.22 2hde s VAL 92 Cb -0.16 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 2hde s VAL 92 CO -0.08 -0.76 -0.20 0.72 -3.33 0.00 0.00 175.10 171.45 2hde s PHE 93 N -3.23 2.56 1.17 1.54 -0.12 -1.26 -4.55 117.98 114.09 2hde s PHE 93 Ca 0.11 -0.44 -0.16 0.00 -0.05 0.00 0.00 56.93 56.38 2hde s PHE 93 Cb 0.02 -1.62 0.21 0.00 -0.63 0.00 0.00 43.02 41.00 2hde s PHE 93 CO -0.02 -0.03 0.48 2.41 -0.05 0.00 0.00 175.22 178.01 2hde n THR 94 N 2.68 0.00 -1.69 -4.49 -1.04 -1.26 -4.87 114.28 103.61 2hde n THR 94 Ca -0.17 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.05 61.03 2hde n THR 94 Cb 0.52 -0.79 -0.01 0.00 -1.82 0.00 0.00 70.33 68.23 2hde n THR 94 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2hde n ASP 95 N -3.34 2.71 -0.88 8.00 2.03 -1.26 -5.00 116.55 118.81 2hde n ASP 95 Ca 0.01 1.20 0.00 0.00 0.52 0.00 0.00 54.79 56.53 2hde n ASP 95 Cb 0.58 -1.47 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2hde n ASP 95 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2hde n VAL 96 N 0.43 0.00 -0.06 5.18 3.14 -1.26 -5.09 118.33 120.67 2hde n VAL 96 Ca 0.05 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.31 2hde n VAL 96 Cb 0.36 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.03 2hde n VAL 96 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2hde h LYS 97 N 0.00 -0.00 -6.30 1.45 1.79 -2.04 -3.46 116.57 108.01 2hde h LYS 97 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2hde h LYS 97 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2hde h LYS 97 CO 0.00 0.84 -0.31 -0.98 -1.08 0.00 0.00 179.45 177.92 2hde s ARG 98 N -2.17 3.50 0.00 3.15 1.70 -1.26 -5.07 118.95 118.80 2hde s ARG 98 Ca -0.16 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 2hde s ARG 98 Cb -0.02 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.56 2hde s ARG 98 CO 0.59 0.34 0.56 -0.35 -1.08 0.00 0.00 175.30 175.36 2hde n PRO 99 N -1.09 0.00 -2.88 3.89 -0.04 -1.26 -4.89 135.00 128.72 2hde n PRO 99 Ca -0.05 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 2hde n PRO 99 Cb 0.55 -1.06 0.03 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.62 -0.43 3.65 0.55 0.00 -1.26 -4.88 105.19 102.20 2hde n GLY 100 Ca 0.00 0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2hde n GLY 100 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2hde n TYR 101 N -4.38 2.29 -2.05 1.61 4.11 -1.26 -4.76 117.16 112.72 2hde n TYR 101 Ca -0.12 -0.10 -0.04 0.00 -0.00 0.00 0.00 57.90 57.64 2hde n TYR 101 Cb 0.62 -2.70 -0.04 0.00 -0.00 0.00 0.00 39.34 37.22 2hde n TYR 101 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2hde n ARG 102 N 7.21 0.00 -2.83 -3.48 1.74 -1.26 -5.12 116.66 112.92 2hde n ARG 102 Ca 0.24 -0.83 -0.40 0.00 -0.77 0.00 0.00 57.85 56.09 2hde n ARG 102 Cb 0.33 0.28 -0.06 0.00 -1.02 0.00 0.00 32.46 32.00 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hde s VAL 103 N 0.00 4.22 -0.00 1.55 0.11 -1.26 -4.92 120.40 120.10 2hde s VAL 103 Ca 0.03 1.95 -0.27 0.00 -2.93 0.00 0.00 61.98 60.77 2hde s VAL 103 Cb 0.04 -4.26 0.06 0.00 -1.53 0.00 0.00 36.38 30.68 2hde s VAL 103 CO -0.02 0.49 0.60 -0.75 -3.33 0.00 0.00 175.10 172.09 2hde s LYS 104 N -1.04 1.04 0.02 1.54 2.20 -1.08 -4.97 119.74 117.45 2hde s LYS 104 Ca 0.40 0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 2hde s LYS 104 Cb -0.25 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 2hde s LYS 104 CO 0.30 -0.35 0.24 -2.00 -0.36 0.00 0.00 175.35 173.19 2hde s GLU 105 N -1.73 3.52 -0.05 4.03 -6.30 -1.26 -0.58 118.70 116.33 2hde s GLU 105 Ca -0.09 -0.20 0.11 0.00 -2.50 0.00 0.00 54.97 52.30 2hde s GLU 105 Cb -0.01 -3.06 -0.17 0.00 0.00 0.00 0.00 34.13 30.90 2hde s GLU 105 CO 0.05 0.63 0.19 0.44 0.02 0.00 0.00 175.26 176.59 2hde n ILE 106 N 0.86 0.26 0.00 -3.70 -6.64 0.31 -4.94 119.36 105.51 2hde n ILE 106 Ca -0.09 -0.34 0.00 0.00 -1.77 0.00 0.00 62.75 60.54 2hde n ILE 106 Cb 0.52 -0.09 0.00 0.00 -1.44 0.00 0.00 39.64 38.63 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 1.98 2.10 3.18 3.28 0.00 -1.18 -5.00 105.19 109.54 2hde n GLY 107 Ca -0.08 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 2.29 0.00 1.61 1.04 -1.26 0.46 113.70 117.84 2hde s SER 108 Ca 0.00 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2hde s SER 108 Cb 0.00 -0.46 0.00 0.00 0.10 0.00 0.00 66.02 65.66 2hde s SER 108 CO 0.00 0.20 0.00 0.35 0.98 0.00 0.00 173.24 174.77 2hde n THR 109 N 2.88 0.00 -3.88 2.02 -2.24 0.30 -4.60 114.28 108.75 2hde n THR 109 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2hde n THR 109 Cb 0.53 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.39 0.69 -0.91 -0.78 -1.94 -1.24 -2.18 119.30 111.56 2hde s MET 110 Ca 0.00 -0.77 -0.20 0.00 -1.71 0.00 0.00 55.69 53.01 2hde s MET 110 Cb 0.00 0.28 -0.12 0.00 2.01 0.00 0.00 34.83 37.00 2hde s MET 110 CO 0.00 -0.19 1.99 0.45 -0.01 0.00 0.00 175.02 177.26 2hde n SER 111 N 0.52 2.82 0.00 3.03 2.88 -0.93 -3.01 113.62 118.93 2hde n SER 111 Ca -0.18 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.66 2hde n SER 111 Cb 0.60 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 2hde n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hde n GLY 112 N 4.43 1.39 2.87 0.46 0.00 -1.26 -4.26 105.19 108.82 2hde n GLY 112 Ca 0.50 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 2hde n GLY 112 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hde s ARG 113 N -0.03 1.30 -0.47 1.61 3.52 -1.16 -5.05 118.95 118.67 2hde s ARG 113 Ca 0.00 -0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 54.76 2hde s ARG 113 Cb 0.00 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.27 2hde s ARG 113 CO 0.00 -0.50 1.83 -1.59 -0.81 0.00 0.00 175.30 174.23 2hde s LYS 114 N 1.64 2.98 0.00 5.12 -2.85 -1.26 -3.61 119.74 121.76 2hde s LYS 114 Ca -0.01 1.03 0.00 0.00 -1.00 0.00 0.00 55.97 56.00 2hde s LYS 114 Cb -0.16 -4.29 0.00 0.00 -2.06 0.00 0.00 37.83 31.32 2hde s LYS 114 CO -0.07 -2.29 0.00 0.41 0.10 0.00 0.00 175.35 173.49 2hde n GLY 115 N 5.55 0.01 0.12 0.59 0.00 -1.26 -4.99 105.19 105.21 2hde n GLY 115 Ca 0.22 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.11 0.93 0.00 2.61 2.02 -1.94 -3.34 112.91 113.09 2hde h THR 116 Ca 0.00 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.56 2hde h THR 116 Cb 0.00 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2hde h THR 116 CO 0.00 0.80 -0.24 0.44 0.37 0.00 0.00 175.52 176.89 2hde h ASP 117 N 0.07 0.00 -0.84 4.18 3.32 -1.95 -3.35 116.42 117.84 2hde h ASP 117 Ca -0.31 -0.02 0.21 0.00 0.02 0.00 0.00 57.03 56.93 2hde h ASP 117 Cb 2.04 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 41.45 2hde h ASP 117 CO 0.13 0.01 0.21 -0.78 -1.72 0.00 0.00 179.24 177.09 2hde h ASP 118 N 0.00 -0.02 0.50 6.45 3.58 -1.84 0.98 116.42 126.07 2hde h ASP 118 Ca 0.00 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.64 2hde h ASP 118 Cb 0.91 0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2hde h ASP 118 CO 0.00 -0.13 0.00 -1.54 -2.88 0.00 0.00 179.24 174.69 2hde n SER 119 N -5.22 0.00 -4.84 2.28 3.41 -1.26 -1.83 113.62 106.17 2hde n SER 119 Ca 0.19 0.28 -0.31 0.00 -0.26 0.00 0.00 58.87 58.77 2hde n SER 119 Cb 0.62 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.81 3.36 0.22 4.33 0.00 0.34 -4.79 119.30 119.94 2hde s MET 120 Ca 0.13 0.91 0.08 0.00 0.00 0.00 0.00 55.69 56.82 2hde s MET 120 Cb 0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 34.83 32.86 2hde s MET 120 CO 0.31 -0.76 -0.00 0.95 0.00 0.00 0.00 175.02 175.51 2hde s THR 121 N -2.96 3.57 0.13 10.11 -4.23 -1.26 0.11 115.64 121.11 2hde s THR 121 Ca 0.58 -1.67 -0.19 0.00 -1.18 0.00 0.00 61.69 59.23 2hde s THR 121 Cb -0.13 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2hde s THR 121 CO 0.49 -0.24 1.74 -0.07 -0.54 0.00 0.00 174.62 176.01 2hde h LEU 122 N 2.31 0.05 -1.92 4.79 3.38 -0.78 -1.95 115.31 121.19 2hde h LEU 122 Ca -0.46 0.03 0.34 0.00 0.09 0.00 0.00 57.88 57.89 2hde h LEU 122 Cb 1.23 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2hde h LEU 122 CO 0.59 0.06 0.91 0.06 0.09 0.00 0.00 178.44 180.15 2hde h GLN 123 N 0.16 0.00 0.00 1.13 3.07 -1.23 1.21 115.11 119.46 2hde h GLN 123 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2hde h GLN 123 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2hde h GLN 123 CO -0.12 0.00 -0.21 0.77 0.09 0.00 0.00 178.83 179.36 2hde h SER 124 N 0.00 0.00 -0.13 0.06 0.02 -1.66 -3.22 113.55 108.62 2hde h SER 124 Ca 0.56 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2hde h SER 124 Cb 2.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.92 2hde h SER 124 CO -0.01 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2hde n GLN 125 N -2.57 1.49 -0.94 3.45 1.13 0.42 -4.88 117.38 115.48 2hde n GLN 125 Ca 0.04 -0.74 0.00 0.00 -1.94 0.00 0.00 57.00 54.36 2hde n GLN 125 Cb 0.48 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.50 2hde n GLN 125 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2hde n LYS 126 N -0.01 -0.81 -1.77 -1.09 5.02 -1.20 -4.98 118.16 113.31 2hde n LYS 126 Ca 0.14 0.20 -0.32 0.00 -2.02 0.00 0.00 58.31 56.32 2hde n LYS 126 Cb 0.23 -3.95 0.03 0.00 -0.02 0.00 0.00 35.03 31.33 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 -1.69 3.02 0.18 2.13 5.36 -1.25 -5.07 117.98 120.66 2hde s PHE 127 Ca 0.00 1.47 -0.07 0.00 -0.96 0.00 0.00 56.93 57.37 2hde s PHE 127 Cb 0.00 -2.95 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 2hde s PHE 127 CO 0.00 -1.22 0.25 -0.65 -1.46 0.00 0.00 175.22 172.14 2hde s GLN 128 N -4.57 1.19 -0.28 10.12 -0.21 -1.26 -4.72 119.66 119.93 2hde s GLN 128 Ca 0.61 -1.31 -0.28 0.00 0.02 0.00 0.00 55.36 54.39 2hde s GLN 128 Cb -0.15 0.35 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 2hde s GLN 128 CO 0.46 -0.43 1.98 0.42 -2.12 0.00 0.00 175.29 175.61 2hde s ILE 129 N -4.03 3.27 0.00 1.08 1.01 -1.26 -1.61 121.20 119.66 2hde s ILE 129 Ca 0.23 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2hde s ILE 129 Cb 0.04 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2hde s ILE 129 CO 0.04 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.36 2hde n GLY 130 N 5.57 2.48 3.61 6.18 0.00 -1.26 -5.10 105.19 116.67 2hde n GLY 130 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.70 2.24 -0.48 1.61 1.01 -0.64 -4.80 116.67 113.92 2hde s ASP 131 Ca 0.00 1.87 -0.17 0.00 0.71 0.00 0.00 52.55 54.96 2hde s ASP 131 Cb 0.00 -2.44 0.06 0.00 1.01 0.00 0.00 42.92 41.55 2hde s ASP 131 CO 0.00 -3.47 0.49 -0.31 0.21 0.00 0.00 175.17 172.09 2hde s TYR 132 N -2.60 3.16 -0.24 4.23 2.02 -1.26 -4.34 117.35 118.31 2hde s TYR 132 Ca 0.67 -0.69 -0.09 0.00 -0.37 0.00 0.00 57.07 56.59 2hde s TYR 132 Cb -0.23 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.02 2hde s TYR 132 CO 0.60 -0.87 0.12 -0.51 -1.57 0.00 0.00 175.55 173.32 2hde s LEU 133 N 2.11 3.84 -0.29 -1.29 1.43 -1.17 -2.14 118.68 121.16 2hde s LEU 133 Ca 0.10 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2hde s LEU 133 Cb -0.21 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2hde s LEU 133 CO 0.10 0.04 0.05 -0.62 0.23 0.00 0.00 176.35 176.15 2hde s ASP 134 N 1.19 4.99 -0.36 2.29 -1.08 0.14 -2.05 116.67 121.78 2hde s ASP 134 Ca 0.06 -0.84 -0.16 0.00 -0.52 0.00 0.00 52.55 51.08 2hde s ASP 134 Cb -0.14 -1.83 -0.00 0.00 -1.46 0.00 0.00 42.92 39.49 2hde s ASP 134 CO 0.05 -0.21 0.41 -0.63 0.52 0.00 0.00 175.17 175.32 2hde s ILE 135 N 1.44 5.11 -0.66 4.11 1.01 0.15 -2.30 121.20 130.06 2hde s ILE 135 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 2hde s ILE 135 Cb -0.18 -3.91 0.08 0.00 0.01 0.00 0.00 42.46 38.46 2hde s ILE 135 CO 0.01 -0.21 0.93 0.00 0.00 0.00 0.00 174.94 175.67 2hde s ALA 136 N 2.13 3.16 -0.13 9.38 0.00 -0.35 -2.61 121.76 133.34 2hde s ALA 136 Ca 0.13 -1.92 -0.24 0.00 0.00 0.00 0.00 51.96 49.93 2hde s ALA 136 Cb -0.16 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.11 2hde s ALA 136 CO 0.13 -2.72 0.76 0.42 0.00 0.00 0.00 175.76 174.35 2hde s ILE 137 N 3.85 4.96 -0.33 0.00 1.01 -0.38 -1.50 121.20 128.80 2hde s ILE 137 Ca 0.21 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 2hde s ILE 137 Cb -0.18 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.27 2hde s ILE 137 CO 0.09 0.12 0.08 -0.89 0.00 0.00 0.00 174.94 174.34 2hde s THR 138 N 1.59 3.38 0.59 2.92 2.01 0.34 -0.60 115.64 125.87 2hde s THR 138 Ca 0.37 -1.38 -0.19 0.00 0.31 0.00 0.00 61.69 60.81 2hde s THR 138 Cb -0.17 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2hde s THR 138 CO 0.15 -0.23 1.17 -2.16 -0.69 0.00 0.00 174.62 172.86 2hde s PRO 139 N 1.30 3.07 -0.12 4.92 0.04 -1.26 -2.18 135.00 140.77 2hde s PRO 139 Ca -0.02 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2hde s PRO 139 Cb -0.20 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.67 2hde s PRO 139 CO 0.00 -1.10 1.13 -0.35 0.04 0.00 0.00 177.00 176.73 2hde n PRO 140 N -1.60 2.05 -0.01 0.56 -0.04 -1.26 -3.76 135.00 130.94 2hde n PRO 140 Ca 0.12 -1.16 0.10 0.00 -0.04 0.00 0.00 63.50 62.52 2hde n PRO 140 Cb 0.50 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.09 0.53 -0.10 3.54 2.04 -1.26 -4.48 115.26 115.62 2hde n ASN 141 Ca 0.16 -0.30 -0.12 0.00 -0.44 0.00 0.00 54.58 53.87 2hde n ASN 141 Cb 0.75 1.64 -0.12 0.00 -2.53 0.00 0.00 39.78 39.52 2hde n ASN 141 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 2hde n ARG 142 N -1.97 0.86 -0.44 -3.83 0.63 -1.25 -5.00 116.66 105.66 2hde n ARG 142 Ca -0.01 0.06 -0.12 0.00 -0.92 0.00 0.00 57.85 56.85 2hde n ARG 142 Cb 0.46 -1.45 0.10 0.00 0.45 0.00 0.00 32.46 32.03 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hde n ALA 143 N -2.90 -1.37 -1.75 5.13 0.00 -1.26 -5.00 120.51 113.37 2hde n ALA 143 Ca -0.34 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.04 2hde n ALA 143 Cb 0.99 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 2hde n ALA 143 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2hde s PRO 144 N -4.02 4.82 1.24 0.00 0.04 -1.26 -5.03 135.00 130.79 2hde s PRO 144 Ca 0.29 1.50 -0.15 0.00 0.04 0.00 0.00 61.00 62.68 2hde s PRO 144 Cb -0.03 -3.23 0.32 0.00 0.04 0.00 0.00 34.50 31.60 2hde s PRO 144 CO 0.22 0.47 1.00 -2.14 0.04 0.00 0.00 177.00 176.59 2hde s PRO 145 N -1.28 -1.55 -1.14 0.56 0.02 -1.26 -4.85 135.00 125.51 2hde s PRO 145 Ca 0.42 0.68 -0.22 0.00 0.02 0.00 0.00 61.00 61.91 2hde s PRO 145 Cb -0.26 -1.49 -0.00 0.00 0.02 0.00 0.00 34.50 32.77 2hde s PRO 145 CO 0.32 -4.10 1.78 -1.25 -0.33 0.00 0.00 177.00 173.42 2hde s PRO 146 N -4.54 3.19 -0.30 5.54 0.04 -1.26 -4.84 135.00 132.83 2hde s PRO 146 Ca 0.69 -1.26 -0.07 0.00 0.04 0.00 0.00 61.00 60.39 2hde s PRO 146 Cb -0.23 -5.33 0.15 0.00 0.04 0.00 0.00 34.50 29.13 2hde s PRO 146 CO 0.64 -2.99 0.63 -1.12 0.04 0.00 0.00 177.00 174.20 2hde s SER 147 N 5.76 -1.19 0.00 6.66 0.01 -1.26 -5.08 113.70 118.60 2hde s SER 147 Ca 0.60 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.21 2hde s SER 147 Cb -0.00 2.24 0.00 0.00 0.21 0.00 0.00 66.02 68.47 2hde s SER 147 CO 0.05 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2hde n GLY 148 N 5.44 0.12 0.95 3.44 0.00 -1.26 -5.16 105.19 108.73 2hde n GLY 148 Ca -0.09 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2hde n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36