#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 6.18 -0.27 1.61 1.04 -1.26 -5.01 113.70 115.99 2hde s SER 3 Ca 0.00 -1.18 -0.12 0.00 0.48 0.00 0.00 55.95 55.13 2hde s SER 3 Cb 0.00 -2.23 0.10 0.00 0.10 0.00 0.00 66.02 63.99 2hde s SER 3 CO 0.00 -0.78 0.63 -1.00 0.98 0.00 0.00 173.24 173.07 2hde s HIS 4 N 2.10 -1.14 0.03 5.02 0.09 -1.26 -5.08 115.29 115.05 2hde s HIS 4 Ca 0.09 2.12 -0.01 0.00 -0.00 0.00 0.00 55.06 57.26 2hde s HIS 4 Cb -0.22 0.66 -0.00 0.00 -0.00 0.00 0.00 32.58 33.02 2hde s HIS 4 CO 0.09 -0.58 -0.02 -0.12 -0.00 0.00 0.00 174.74 174.11 2hde n MET 5 N 4.93 0.03 -3.63 1.40 0.00 -1.26 -5.12 117.12 113.47 2hde n MET 5 Ca -0.16 0.01 -0.13 0.00 -0.00 0.00 0.00 57.70 57.43 2hde n MET 5 Cb 0.53 -0.29 -0.07 0.00 0.00 0.00 0.00 33.22 33.39 2hde n MET 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2hde s ARG 6 N -1.46 0.78 -0.08 2.12 1.81 -1.26 -5.09 118.95 115.78 2hde s ARG 6 Ca -0.02 0.98 -0.04 0.00 -1.72 0.00 0.00 55.73 54.94 2hde s ARG 6 Cb 0.00 0.36 -0.01 0.00 -0.45 0.00 0.00 34.95 34.85 2hde s ARG 6 CO 0.02 -0.10 -0.07 0.28 -0.68 0.00 0.00 175.30 174.75 2hde h VAL 7 N 4.09 0.00 -3.54 3.52 2.07 -2.04 -3.46 116.25 116.88 2hde h VAL 7 Ca -0.29 -0.60 -0.52 0.00 0.82 0.00 0.00 66.70 66.11 2hde h VAL 7 Cb 1.17 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2hde h VAL 7 CO 0.07 0.00 0.26 0.28 0.02 0.00 0.00 177.57 178.20 2hde s THR 8 N -1.60 4.47 -0.06 2.57 -1.32 -1.26 -5.04 115.64 113.41 2hde s THR 8 Ca -0.06 1.86 -0.24 0.00 -1.21 0.00 0.00 61.69 62.04 2hde s THR 8 Cb 0.01 -4.22 -0.04 0.00 -1.51 0.00 0.00 72.50 66.74 2hde s THR 8 CO 0.09 0.41 0.71 0.00 -2.21 0.00 0.00 174.62 173.62 2hde s GLN 9 N -0.47 4.44 -0.15 7.08 -2.07 -1.26 -5.04 119.66 122.19 2hde s GLN 9 Ca 0.41 0.91 -0.24 0.00 -1.82 0.00 0.00 55.36 54.61 2hde s GLN 9 Cb -0.23 -3.44 -0.02 0.00 -1.09 0.00 0.00 33.01 28.23 2hde s GLN 9 CO 0.27 0.08 0.77 -2.00 -1.32 0.00 0.00 175.29 173.09 2hde s GLU 10 N 0.74 4.31 -0.56 9.60 2.56 -1.26 -4.99 118.70 129.11 2hde s GLU 10 Ca 0.38 0.92 0.07 0.00 0.00 0.00 0.00 54.97 56.33 2hde s GLU 10 Cb -0.18 -3.55 0.29 0.00 2.00 0.00 0.00 34.13 32.69 2hde s GLU 10 CO 0.19 -0.23 0.77 -0.85 -0.56 0.00 0.00 175.26 174.58 2hde n GLU 11 N 4.90 2.30 -3.64 4.30 0.28 -1.26 -5.06 120.64 122.46 2hde n GLU 11 Ca 0.02 -4.37 -0.37 0.00 -0.16 0.00 0.00 57.16 52.27 2hde n GLU 11 Cb 0.49 -2.03 -0.11 0.00 1.43 0.00 0.00 31.44 31.22 2hde n GLU 11 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2hde s ILE 12 N -2.87 5.21 0.07 3.84 -1.09 -1.26 -5.08 121.20 120.01 2hde s ILE 12 Ca 0.42 0.13 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 2hde s ILE 12 Cb 0.21 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2hde s ILE 12 CO -0.07 0.29 -0.17 -1.59 -1.23 0.00 0.00 174.94 172.17 2hde s LYS 13 N 1.51 1.01 0.15 2.79 0.00 -1.26 -5.15 119.74 118.79 2hde s LYS 13 Ca 0.07 -0.99 0.02 0.00 0.00 0.00 0.00 55.97 55.07 2hde s LYS 13 Cb -0.15 -1.13 -0.01 0.00 0.00 0.00 0.00 37.83 36.55 2hde s LYS 13 CO 0.08 0.27 0.07 1.63 0.00 0.00 0.00 175.35 177.40 2hde n LYS 14 N 1.39 0.65 -1.46 1.78 4.76 -1.26 -5.06 118.16 118.95 2hde n LYS 14 Ca -0.20 -1.34 -0.47 0.00 -2.87 0.00 0.00 58.31 53.43 2hde n LYS 14 Cb 0.54 0.81 -0.08 0.00 -1.84 0.00 0.00 35.03 34.46 2hde n LYS 14 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2hde n GLU 15 N -0.33 0.84 -2.23 1.97 2.13 -1.26 -4.87 120.64 116.88 2hde n GLU 15 Ca -0.01 0.18 -0.42 0.00 0.66 0.00 0.00 57.16 57.56 2hde n GLU 15 Cb 0.24 -2.43 -0.03 0.00 0.27 0.00 0.00 31.44 29.49 2hde n GLU 15 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2hde s PRO 16 N 7.04 4.29 -0.09 5.31 0.04 -1.26 -5.02 135.00 145.31 2hde s PRO 16 Ca 1.12 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 64.11 2hde s PRO 16 Cb -0.83 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.18 2hde s PRO 16 CO 0.46 -0.56 -0.02 -1.21 0.04 0.00 0.00 177.00 175.71 2hde s GLU 17 N 2.32 0.87 -0.43 4.56 2.02 -1.26 -5.11 118.70 121.66 2hde s GLU 17 Ca 0.64 -0.03 -0.28 0.00 0.02 0.00 0.00 54.97 55.31 2hde s GLU 17 Cb -0.31 -1.22 0.03 0.00 0.10 0.00 0.00 34.13 32.72 2hde s GLU 17 CO 0.27 -0.32 1.07 0.21 0.02 0.00 0.00 175.26 176.51 2hde s LYS 18 N 1.89 3.77 0.81 1.61 2.47 -1.26 -5.03 119.74 123.99 2hde s LYS 18 Ca 0.05 0.60 -0.11 0.00 -1.56 0.00 0.00 55.97 54.94 2hde s LYS 18 Cb -0.13 -3.87 0.09 0.00 -1.46 0.00 0.00 37.83 32.47 2hde s LYS 18 CO -0.06 -1.22 1.17 -1.25 0.16 0.00 0.00 175.35 174.14 2hde s PRO 19 N 4.09 1.86 -0.21 4.03 0.04 -1.26 -5.06 135.00 138.49 2hde s PRO 19 Ca 0.45 -0.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 2hde s PRO 19 Cb -0.09 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2hde s PRO 19 CO 0.26 -1.62 0.12 0.42 0.04 0.00 0.00 177.00 176.22 2hde s ILE 20 N -3.55 5.23 -0.23 0.56 1.01 -1.26 -5.06 121.20 117.90 2hde s ILE 20 Ca 0.63 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 2hde s ILE 20 Cb -0.10 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2hde s ILE 20 CO 0.49 0.41 1.17 -1.81 0.00 0.00 0.00 174.94 175.20 2hde s ASP 21 N 0.60 6.94 0.57 3.58 1.11 -1.26 -4.87 116.67 123.35 2hde s ASP 21 Ca 0.07 1.42 0.36 0.00 0.18 0.00 0.00 52.55 54.57 2hde s ASP 21 Cb -0.12 -2.54 1.43 0.00 1.07 0.00 0.00 42.92 42.76 2hde s ASP 21 CO 0.01 -0.81 1.66 0.03 1.18 0.00 0.00 175.17 177.24 2hde h ARG 22 N 8.15 0.00 0.00 8.23 -0.00 -1.98 0.86 114.38 129.64 2hde h ARG 22 Ca -0.23 0.00 -0.42 0.00 -0.50 0.00 0.00 59.98 58.83 2hde h ARG 22 Cb 1.08 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.99 2hde h ARG 22 CO 0.99 0.00 -2.44 0.39 0.00 0.00 0.00 179.97 178.92 2hde n GLU 23 N -3.81 0.56 -0.79 0.04 1.02 -1.26 -4.51 120.64 111.89 2hde n GLU 23 Ca 0.25 0.22 -0.14 0.00 -0.02 0.00 0.00 57.16 57.47 2hde n GLU 23 Cb 1.36 -1.44 0.13 0.00 -0.02 0.00 0.00 31.44 31.47 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hde n LYS 24 N -3.96 1.97 -1.67 3.49 5.02 -0.77 -4.96 118.16 117.28 2hde n LYS 24 Ca -0.49 -1.99 -0.31 0.00 -2.02 0.00 0.00 58.31 53.50 2hde n LYS 24 Cb 0.88 -1.80 0.05 0.00 -0.02 0.00 0.00 35.03 34.15 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2hde s THR 25 N -2.17 3.84 -0.12 -0.18 -1.32 0.29 -4.54 115.64 111.44 2hde s THR 25 Ca 0.37 0.60 -0.04 0.00 -1.21 0.00 0.00 61.69 61.41 2hde s THR 25 Cb 0.31 -3.42 -0.03 0.00 -1.51 0.00 0.00 72.50 67.85 2hde s THR 25 CO 0.08 -0.78 0.01 -0.44 -2.21 0.00 0.00 174.62 171.28 2hde s SER 26 N -3.98 5.28 0.19 8.08 0.01 -1.26 -5.01 113.70 117.02 2hde s SER 26 Ca 0.58 0.09 -0.30 0.00 1.31 0.00 0.00 55.95 57.64 2hde s SER 26 Cb -0.13 -1.66 -0.08 0.00 0.21 0.00 0.00 66.02 64.36 2hde s SER 26 CO 0.54 0.30 1.12 -2.16 0.41 0.00 0.00 173.24 173.45 2hde s PRO 27 N -0.40 4.58 0.07 12.44 0.04 -1.26 -4.54 135.00 145.93 2hde s PRO 27 Ca 0.08 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.95 2hde s PRO 27 Cb -0.12 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 2hde s PRO 27 CO 0.02 0.05 -0.20 -0.48 0.04 0.00 0.00 177.00 176.44 2hde s LEU 28 N -0.44 2.23 -0.24 -3.56 0.05 0.10 -4.89 118.68 111.94 2hde s LEU 28 Ca 0.50 -0.59 -0.22 0.00 0.05 0.00 0.00 54.13 53.86 2hde s LEU 28 Cb -0.30 -0.88 -0.01 0.00 -2.05 0.00 0.00 46.19 42.94 2hde s LEU 28 CO 0.36 0.09 0.72 -0.22 -0.55 0.00 0.00 176.35 176.75 2hde s LEU 29 N -1.52 4.08 0.20 1.48 2.96 -1.26 -1.84 118.68 122.78 2hde s LEU 29 Ca 0.06 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.89 2hde s LEU 29 Cb -0.09 -3.01 -0.05 0.00 0.50 0.00 0.00 46.19 43.54 2hde s LEU 29 CO 0.03 -0.42 -0.05 -1.48 -1.32 0.00 0.00 176.35 173.10 2hde s LEU 30 N 2.56 2.36 -0.11 -0.68 0.05 -1.10 -4.56 118.68 117.21 2hde s LEU 30 Ca 0.30 -1.13 -0.11 0.00 0.05 0.00 0.00 54.13 53.25 2hde s LEU 30 Cb -0.15 -0.35 -0.05 0.00 -2.05 0.00 0.00 46.19 43.59 2hde s LEU 30 CO 0.08 -0.41 0.24 -0.13 -0.55 0.00 0.00 176.35 175.58 2hde s ARG 31 N -3.80 3.80 -0.02 1.48 1.81 -1.26 -2.89 118.95 118.07 2hde s ARG 31 Ca 0.24 0.04 0.01 0.00 -1.72 0.00 0.00 55.73 54.29 2hde s ARG 31 Cb 0.04 -3.27 0.02 0.00 -0.45 0.00 0.00 34.95 31.29 2hde s ARG 31 CO 0.06 0.60 -0.01 0.14 -0.68 0.00 0.00 175.30 175.40 2hde s VAL 32 N -0.60 0.22 -0.40 3.52 -7.23 -0.77 -2.89 120.40 112.25 2hde s VAL 32 Ca 0.17 -0.01 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 2hde s VAL 32 Cb -0.13 -0.26 0.08 0.00 0.56 0.00 0.00 36.38 36.63 2hde s VAL 32 CO 0.06 0.12 0.20 -0.36 -0.31 0.00 0.00 175.10 174.81 2hde s PHE 33 N 0.59 3.41 -0.23 2.82 0.40 -0.96 0.22 117.98 124.24 2hde s PHE 33 Ca -0.06 -1.89 -0.06 0.00 -0.60 0.00 0.00 56.93 54.32 2hde s PHE 33 Cb -0.09 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.50 2hde s PHE 33 CO -0.01 -0.89 0.04 0.95 0.70 0.00 0.00 175.22 176.02 2hde s THR 34 N 1.30 4.19 0.36 0.64 -4.23 -0.90 0.03 115.64 117.03 2hde s THR 34 Ca 0.03 -0.22 0.06 0.00 -1.18 0.00 0.00 61.69 60.39 2hde s THR 34 Cb -0.22 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 2hde s THR 34 CO -0.01 0.38 0.50 0.28 -0.54 0.00 0.00 174.62 175.24 2hde s THR 35 N 1.29 3.91 -0.28 3.99 -1.32 -1.09 -4.75 115.64 117.38 2hde s THR 35 Ca 0.04 -0.96 0.11 0.00 -1.21 0.00 0.00 61.69 59.68 2hde s THR 35 Cb -0.15 -3.35 0.65 0.00 -1.51 0.00 0.00 72.50 68.14 2hde s THR 35 CO 0.02 -0.14 1.66 -3.20 -2.21 0.00 0.00 174.62 170.75 2hde n ASN 36 N -1.71 4.20 0.00 8.08 5.15 -1.25 -1.69 115.26 128.04 2hde n ASN 36 Ca 0.01 -3.27 0.00 0.00 -0.60 0.00 0.00 54.58 50.72 2hde n ASN 36 Cb 0.58 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 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 -0.42 0.33 -3.64 1.20 2.85 -0.16 -4.33 115.26 111.09 2hde n ASN 37 Ca 0.35 -1.14 -0.23 0.00 -0.11 0.00 0.00 54.58 53.44 2hde n ASN 37 Cb 1.21 0.00 0.04 0.00 1.24 0.00 0.00 39.78 42.27 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hde n GLY 38 N -0.07 -0.60 3.07 8.20 0.00 0.29 -4.72 105.19 111.36 2hde n GLY 38 Ca 0.00 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2hde n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hde s ARG 39 N -5.77 2.17 -0.08 1.61 6.06 -1.26 -4.86 118.95 116.82 2hde s ARG 39 Ca 0.19 -1.40 0.10 0.00 -2.50 0.00 0.00 55.73 52.12 2hde s ARG 39 Cb -0.05 -2.95 0.41 0.00 0.06 0.00 0.00 34.95 32.41 2hde s ARG 39 CO 0.82 -0.62 1.23 -2.39 -2.50 0.00 0.00 175.30 171.84 2hde n HIS 40 N 4.43 0.89 0.00 5.12 1.44 -1.26 -4.76 115.22 121.08 2hde n HIS 40 Ca -0.12 -0.34 0.00 0.00 -2.01 0.00 0.00 57.72 55.25 2hde n HIS 40 Cb 0.42 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.34 2hde n HIS 40 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2hde n HIS 41 N 0.48 0.00 -3.83 -1.40 1.44 -1.26 -4.91 115.22 105.74 2hde n HIS 41 Ca 0.14 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.82 2hde n HIS 41 Cb 0.59 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.72 2hde n HIS 41 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2hde n ARG 42 N -0.57 0.62 0.10 -1.40 1.85 -1.26 -5.03 116.66 110.97 2hde n ARG 42 Ca 0.00 -1.37 -0.05 0.00 -1.00 0.00 0.00 57.85 55.43 2hde n ARG 42 Cb 0.00 1.84 0.07 0.00 -1.05 0.00 0.00 32.46 33.32 2hde n ARG 42 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hde h MET 43 N 0.00 0.08 -0.89 2.89 -0.00 -1.85 -3.12 114.93 112.05 2hde h MET 43 Ca -0.25 -0.08 0.26 0.00 -0.00 0.00 0.00 59.70 59.63 2hde h MET 43 Cb 1.06 0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 32.64 2hde h MET 43 CO 0.33 0.79 0.75 -0.44 -0.00 0.00 0.00 176.91 178.33 2hde h ASP 44 N 0.05 0.00 0.06 -0.10 5.19 -1.83 0.70 116.42 120.51 2hde h ASP 44 Ca -0.02 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.20 2hde h ASP 44 Cb 1.31 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.82 2hde h ASP 44 CO 0.10 0.00 -0.69 -0.33 -3.12 0.00 0.00 179.24 175.20 2hde h GLU 45 N 0.00 0.57 -2.82 3.56 4.39 -1.91 -3.44 114.58 114.93 2hde h GLU 45 Ca 0.42 -0.43 -0.19 0.00 0.34 0.00 0.00 59.36 59.49 2hde h GLU 45 Cb 1.91 0.08 -0.31 0.00 -0.10 0.00 0.00 28.75 30.33 2hde h GLU 45 CO -0.00 1.06 -0.50 -0.59 -1.16 0.00 0.00 179.01 177.81 2hde s PHE 46 N -3.77 -0.47 0.00 4.33 -0.12 0.25 -4.97 117.98 113.23 2hde s PHE 46 Ca -0.08 1.04 0.00 0.00 -0.05 0.00 0.00 56.93 57.84 2hde s PHE 46 Cb 0.10 0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.52 2hde s PHE 46 CO 0.86 -0.36 0.00 0.45 -0.05 0.00 0.00 175.22 176.12 2hde n SER 47 N 5.22 0.00 0.20 1.98 2.88 -1.22 -4.64 113.62 118.04 2hde n SER 47 Ca -0.09 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.59 2hde n SER 47 Cb 0.50 0.00 0.70 0.00 -0.75 0.00 0.00 64.21 64.66 2hde n SER 47 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2hde h ARG 48 N 0.00 0.00 -1.35 -1.46 2.47 -1.87 -3.46 114.38 108.71 2hde h ARG 48 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hde h ARG 48 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2hde h ARG 48 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2hde n GLY 49 N -0.83 0.60 0.00 0.04 0.00 -1.26 -4.96 105.19 98.78 2hde n GLY 49 Ca -0.01 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.72 2hde n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hde n ASN 50 N -0.24 0.00 -3.61 1.61 2.85 -1.26 -4.82 115.26 109.80 2hde n ASN 50 Ca 0.00 -0.48 -0.08 0.00 -0.11 0.00 0.00 54.58 53.91 2hde n ASN 50 Cb 0.39 -0.12 -0.06 0.00 1.24 0.00 0.00 39.78 41.24 2hde n ASN 50 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2hde s VAL 51 N -2.24 0.00 -2.00 3.44 0.11 -1.26 -5.02 120.40 113.43 2hde s VAL 51 Ca 0.31 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.47 2hde s VAL 51 Cb 0.17 -1.00 0.29 0.00 -1.53 0.00 0.00 36.38 34.30 2hde s VAL 51 CO 0.32 0.00 1.30 -2.65 -3.33 0.00 0.00 175.10 170.75 2hde n PRO 52 N 1.17 0.90 -0.65 1.54 -0.02 -1.26 -3.15 135.00 133.53 2hde n PRO 52 Ca -0.09 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.47 2hde n PRO 52 Cb 0.57 -1.18 0.34 0.00 -0.02 0.00 0.00 33.50 33.22 2hde n PRO 52 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hde n SER 53 N -0.68 4.78 -0.00 2.55 2.88 -1.26 -4.62 113.62 117.27 2hde n SER 53 Ca 0.08 -2.72 -0.00 0.00 -1.33 0.00 0.00 58.87 54.89 2hde n SER 53 Cb 0.03 -0.58 -0.00 0.00 -0.75 0.00 0.00 64.21 62.91 2hde n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2hde n SER 54 N 0.53 0.08 -4.84 -3.46 3.41 -1.19 -4.76 113.62 103.39 2hde n SER 54 Ca 0.25 0.24 -0.36 0.00 -0.26 0.00 0.00 58.87 58.73 2hde n SER 54 Cb 0.97 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.06 3.35 0.26 4.33 -1.05 -1.26 -2.12 118.70 121.15 2hde s GLU 55 Ca -0.01 -0.19 0.04 0.00 -0.15 0.00 0.00 54.97 54.67 2hde s GLU 55 Cb 0.00 -3.11 -0.06 0.00 -0.44 0.00 0.00 34.13 30.53 2hde s GLU 55 CO 0.01 0.76 -0.01 -0.48 0.95 0.00 0.00 175.26 176.50 2hde s LEU 56 N -1.03 2.26 -0.13 1.83 2.34 0.13 -4.93 118.68 119.15 2hde s LEU 56 Ca 0.15 -1.24 -0.03 0.00 0.06 0.00 0.00 54.13 53.07 2hde s LEU 56 Cb -0.12 -0.39 -0.03 0.00 -0.56 0.00 0.00 46.19 45.09 2hde s LEU 56 CO 0.04 -0.49 -0.01 -1.10 -1.06 0.00 0.00 176.35 173.74 2hde s GLN 57 N -3.83 3.43 -0.05 1.48 1.11 -1.26 -1.85 119.66 118.68 2hde s GLN 57 Ca 0.30 -0.45 0.01 0.00 0.01 0.00 0.00 55.36 55.23 2hde s GLN 57 Cb 0.06 -2.90 0.02 0.00 -1.01 0.00 0.00 33.01 29.18 2hde s GLN 57 CO 0.11 0.44 -0.05 0.96 0.01 0.00 0.00 175.29 176.76 2hde s ILE 58 N -0.15 0.58 -1.19 1.08 -4.36 -1.14 -4.90 121.20 111.11 2hde s ILE 58 Ca 0.04 -0.13 -0.14 0.00 -0.26 0.00 0.00 60.65 60.17 2hde s ILE 58 Cb -0.13 -0.61 0.18 0.00 1.25 0.00 0.00 42.46 43.15 2hde s ILE 58 CO 0.02 0.24 1.40 -0.31 0.24 0.00 0.00 174.94 176.53 2hde s TYR 59 N 1.01 3.54 0.56 1.37 1.51 -1.25 -2.69 117.35 121.40 2hde s TYR 59 Ca -0.09 -2.15 0.05 0.00 -1.01 0.00 0.00 57.07 53.87 2hde s TYR 59 Cb -0.14 -4.28 0.04 0.00 -0.11 0.00 0.00 41.96 37.47 2hde s TYR 59 CO -0.00 -1.37 0.40 -0.08 -1.11 0.00 0.00 175.55 173.39 2hde s THR 60 N 1.43 1.55 -0.12 -0.71 -1.32 -0.77 -4.53 115.64 111.17 2hde s THR 60 Ca 0.42 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.39 2hde s THR 60 Cb -0.03 -2.06 0.02 0.00 -1.51 0.00 0.00 72.50 68.92 2hde s THR 60 CO -0.01 0.00 -0.12 -1.66 -2.21 0.00 0.00 174.62 170.63 2hde s TRP 61 N -2.80 1.83 0.25 9.09 -2.14 -1.26 0.03 118.94 123.93 2hde s TRP 61 Ca 0.32 -0.95 0.17 0.00 2.66 0.00 0.00 56.10 58.30 2hde s TRP 61 Cb -0.02 -1.40 0.85 0.00 -3.10 0.00 0.00 33.47 29.80 2hde s TRP 61 CO 0.20 -0.56 0.92 -1.33 -2.66 0.00 0.00 176.95 173.53 2hde n MET 62 N 4.70 -0.03 -0.69 3.25 2.81 -1.26 0.29 117.12 126.19 2hde n MET 62 Ca -0.16 0.76 -0.13 0.00 -1.81 0.00 0.00 57.70 56.36 2hde n MET 62 Cb 0.50 -1.46 0.10 0.00 -0.71 0.00 0.00 33.22 31.66 2hde n MET 62 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2hde n ASP 63 N -4.01 3.43 -4.87 7.83 9.92 -1.26 0.02 116.55 127.60 2hde n ASP 63 Ca 0.23 -2.91 -0.34 0.00 -0.53 0.00 0.00 54.79 51.25 2hde n ASP 63 Cb 0.87 -0.69 -0.05 0.00 -0.64 0.00 0.00 41.12 40.60 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hde s ALA 64 N -1.87 3.73 0.54 2.24 0.00 0.82 -4.61 121.76 122.61 2hde s ALA 64 Ca 0.32 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 2hde s ALA 64 Cb 0.27 -2.24 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 2hde s ALA 64 CO 0.06 0.59 1.01 0.95 0.00 0.00 0.00 175.76 178.37 2hde s THR 65 N -1.47 4.26 0.55 0.00 -4.23 -1.26 -0.53 115.64 112.97 2hde s THR 65 Ca 0.35 1.09 0.38 0.00 -1.18 0.00 0.00 61.69 62.32 2hde s THR 65 Cb -0.13 -3.60 0.56 0.00 1.34 0.00 0.00 72.50 70.67 2hde s THR 65 CO 0.19 -0.62 1.77 -0.07 -0.54 0.00 0.00 174.62 175.36 2hde h LEU 66 N 0.75 0.00 0.30 4.79 -0.00 0.12 0.13 115.31 121.40 2hde h LEU 66 Ca -0.47 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.40 2hde h LEU 66 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 2hde h LEU 66 CO 0.60 0.00 -0.15 0.50 -0.00 0.00 0.00 178.44 179.39 2hde h LYS 67 N 0.00 -0.39 -0.99 1.13 3.11 -1.74 -2.21 116.57 115.47 2hde h LYS 67 Ca 0.58 0.03 0.20 0.00 -2.81 0.00 0.00 60.65 58.65 2hde h LYS 67 Cb 2.39 0.09 -0.11 0.00 -1.00 0.00 0.00 32.23 33.60 2hde h LYS 67 CO -0.01 -0.16 0.59 0.93 -2.81 0.00 0.00 179.45 178.00 2hde h GLU 68 N -0.57 0.70 0.00 1.90 4.39 -1.06 0.54 114.58 120.48 2hde h GLU 68 Ca -0.04 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2hde h GLU 68 Cb 0.42 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2hde h GLU 68 CO 0.07 0.46 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.04 2hde h LEU 69 N 0.72 0.00 -1.09 1.33 -0.00 -1.37 -1.88 115.31 113.03 2hde h LEU 69 Ca 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.40 2hde h LEU 69 Cb 0.94 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.58 2hde h LEU 69 CO -0.40 0.27 -0.06 0.74 -0.00 0.00 0.00 178.44 178.99 2hde h THR 70 N 0.00 1.22 0.08 0.22 2.02 0.73 -2.28 112.91 114.91 2hde h THR 70 Ca -0.00 -0.95 -0.13 0.00 0.77 0.00 0.00 66.41 66.10 2hde h THR 70 Cb 0.68 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2hde h THR 70 CO 0.04 0.32 -0.57 0.28 0.37 0.00 0.00 175.52 175.95 2hde h SER 71 N 0.54 0.28 -0.66 4.18 0.02 -1.19 -3.02 113.55 113.69 2hde h SER 71 Ca 0.11 -0.95 0.14 0.00 -0.84 0.00 0.00 61.79 60.25 2hde h SER 71 Cb 0.44 -0.09 -0.12 0.00 0.14 0.00 0.00 62.40 62.77 2hde h SER 71 CO 0.02 1.27 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.83 2hde h LEU 72 N -0.62 -0.46 -0.26 5.07 3.38 -1.28 0.16 115.31 121.29 2hde h LEU 72 Ca -0.11 0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2hde h LEU 72 Cb 1.41 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2hde h LEU 72 CO 0.08 -0.18 0.08 0.58 0.09 0.00 0.00 178.44 179.08 2hde h VAL 73 N 0.05 1.20 -0.61 1.22 2.07 -1.54 -2.61 116.25 116.04 2hde h VAL 73 Ca 0.34 -0.66 0.10 0.00 0.82 0.00 0.00 66.70 67.30 2hde h VAL 73 Cb 0.55 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2hde h VAL 73 CO -0.63 0.22 0.41 0.11 0.02 0.00 0.00 177.57 177.69 2hde h LYS 74 N 0.26 0.40 -0.17 1.57 6.56 -0.90 0.46 116.57 124.75 2hde h LYS 74 Ca 0.08 -0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.56 2hde h LYS 74 Cb 0.26 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2hde h LYS 74 CO -0.00 0.26 -0.28 1.49 -2.06 0.00 0.00 179.45 178.86 2hde h GLU 75 N 0.41 0.32 -0.72 3.15 4.81 -0.41 -2.36 114.58 119.77 2hde h GLU 75 Ca 0.28 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2hde h GLU 75 Cb 0.56 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2hde h GLU 75 CO -0.08 0.58 0.00 0.28 -0.73 0.00 0.00 179.01 179.06 2hde n VAL 76 N -4.12 0.96 -3.55 0.32 0.31 0.58 -4.84 118.33 108.00 2hde n VAL 76 Ca -0.01 -0.97 -0.16 0.00 -0.01 0.00 0.00 64.34 63.19 2hde n VAL 76 Cb 0.40 0.50 -0.13 0.00 -0.91 0.00 0.00 33.84 33.70 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 -1.04 -0.37 -0.02 3.52 6.14 0.13 -5.02 117.35 120.70 2hde s TYR 77 Ca 0.49 0.56 -0.21 0.00 0.64 0.00 0.00 57.07 58.55 2hde s TYR 77 Cb 0.25 -0.21 -0.13 0.00 0.42 0.00 0.00 41.96 42.30 2hde s TYR 77 CO 0.33 -0.50 0.90 -1.35 0.64 0.00 0.00 175.55 175.57 2hde h PRO 78 N 8.30 -0.56 -0.29 4.97 0.11 -1.88 -3.20 132.00 139.46 2hde h PRO 78 Ca -0.16 0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.07 2hde h PRO 78 Cb 1.14 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2hde h PRO 78 CO 0.22 -0.28 0.35 1.49 -0.21 0.00 0.00 178.00 179.56 2hde h GLU 79 N -1.06 0.00 -0.28 1.05 4.57 -1.97 0.08 114.58 116.96 2hde h GLU 79 Ca -0.06 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 2hde h GLU 79 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2hde h GLU 79 CO 0.10 0.00 -0.32 0.00 -1.18 0.00 0.00 179.01 177.61 2hde h ALA 80 N 1.58 0.92 0.00 2.92 0.00 -1.89 -2.85 119.26 119.94 2hde h ALA 80 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2hde h ALA 80 Cb 0.83 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2hde h ALA 80 CO -0.00 0.62 0.31 0.00 0.00 0.00 0.00 179.25 180.17 2hde h ARG 81 N 0.51 0.00 -6.58 0.00 3.08 -1.00 -3.43 114.38 106.96 2hde h ARG 81 Ca 0.06 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.52 2hde h ARG 81 Cb 0.80 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.95 2hde h ARG 81 CO 0.07 0.00 0.42 1.17 -1.07 0.00 0.00 179.97 180.56 2hde n LYS 82 N -2.83 1.81 -2.51 0.04 3.00 -1.08 -4.92 118.16 111.67 2hde n LYS 82 Ca -0.02 0.64 -0.41 0.00 -0.00 0.00 0.00 58.31 58.52 2hde n LYS 82 Cb 0.35 -2.18 -0.04 0.00 0.00 0.00 0.00 35.03 33.16 2hde n LYS 82 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2hde s LYS 83 N -1.16 4.57 0.00 1.64 1.02 -1.26 -3.25 119.74 121.29 2hde s LYS 83 Ca 0.62 1.71 0.00 0.00 0.02 0.00 0.00 55.97 58.32 2hde s LYS 83 Cb -0.66 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 2hde s LYS 83 CO 0.57 0.02 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 2hde n GLY 84 N 2.28 0.71 3.67 -3.33 0.00 -1.26 -4.83 105.19 102.43 2hde n GLY 84 Ca 0.04 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 -2.39 4.06 -0.37 2.61 2.01 -1.20 -4.50 115.64 115.86 2hde s THR 85 Ca 0.00 1.32 -0.15 0.00 0.31 0.00 0.00 61.69 63.17 2hde s THR 85 Cb 0.00 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.66 2hde s THR 85 CO 0.00 -0.09 0.32 -2.28 -0.69 0.00 0.00 174.62 171.87 2hde s HIS 86 N 3.39 3.22 0.11 4.92 2.46 -0.90 -2.21 115.29 126.27 2hde s HIS 86 Ca 0.60 -0.27 0.10 0.00 0.47 0.00 0.00 55.06 55.96 2hde s HIS 86 Cb -0.26 -2.61 -0.04 0.00 -0.13 0.00 0.00 32.58 29.54 2hde s HIS 86 CO 0.20 -0.48 -0.25 -0.59 -2.47 0.00 0.00 174.74 171.15 2hde s PHE 87 N 1.85 2.15 0.10 3.88 -0.71 -0.97 -1.43 117.98 122.85 2hde s PHE 87 Ca 0.08 -0.39 0.09 0.00 -1.04 0.00 0.00 56.93 55.67 2hde s PHE 87 Cb -0.17 -1.18 -0.04 0.00 -1.21 0.00 0.00 43.02 40.41 2hde s PHE 87 CO 0.11 0.27 -0.19 1.21 -1.34 0.00 0.00 175.22 175.28 2hde s ASN 88 N -1.89 3.77 -0.13 1.98 3.84 -0.57 -0.80 114.94 121.13 2hde s ASN 88 Ca 0.11 -0.55 -0.03 0.00 0.21 0.00 0.00 52.86 52.61 2hde s ASN 88 Cb -0.10 -0.51 -0.03 0.00 -0.55 0.00 0.00 41.25 40.06 2hde s ASN 88 CO 0.05 0.20 -0.05 -0.36 -2.79 0.00 0.00 177.10 174.15 2hde s PHE 89 N -1.06 3.00 0.08 0.43 0.40 0.19 -1.61 117.98 119.40 2hde s PHE 89 Ca 0.16 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.20 2hde s PHE 89 Cb -0.10 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2hde s PHE 89 CO 0.08 0.05 0.11 0.00 0.70 0.00 0.00 175.22 176.16 2hde s ALA 90 N 0.07 0.07 -0.42 5.36 0.00 -0.95 0.40 121.76 126.30 2hde s ALA 90 Ca -0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2hde s ALA 90 Cb -0.14 0.43 0.08 0.00 0.00 0.00 0.00 23.12 23.49 2hde s ALA 90 CO 0.03 -0.46 0.26 0.42 0.00 0.00 0.00 175.76 176.01 2hde s ILE 91 N -3.89 4.30 -0.01 0.00 -1.09 0.15 0.37 121.20 121.03 2hde s ILE 91 Ca 0.06 -1.35 0.02 0.00 -2.23 0.00 0.00 60.65 57.15 2hde s ILE 91 Cb 0.06 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2hde s ILE 91 CO -0.10 -0.50 -0.06 0.68 -1.23 0.00 0.00 174.94 173.74 2hde s VAL 92 N 1.44 0.47 -0.12 2.92 -7.23 -0.71 -2.81 120.40 114.37 2hde s VAL 92 Ca 0.03 -0.22 -0.16 0.00 -1.81 0.00 0.00 61.98 59.82 2hde s VAL 92 Cb -0.23 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 2hde s VAL 92 CO 0.03 0.15 0.40 0.72 -0.31 0.00 0.00 175.10 176.09 2hde s PHE 93 N 0.10 3.52 -0.41 2.82 -0.71 -1.26 -4.22 117.98 117.82 2hde s PHE 93 Ca -0.01 0.79 -0.28 0.00 -1.04 0.00 0.00 56.93 56.39 2hde s PHE 93 Cb -0.05 -2.44 -0.01 0.00 -1.21 0.00 0.00 43.02 39.31 2hde s PHE 93 CO -0.00 0.26 1.63 -0.08 -1.34 0.00 0.00 175.22 175.68 2hde s THR 94 N 0.34 3.65 0.33 -4.49 -1.32 -1.26 -4.73 115.64 108.16 2hde s THR 94 Ca 0.22 0.63 0.07 0.00 -1.21 0.00 0.00 61.69 61.40 2hde s THR 94 Cb -0.14 -3.95 -0.03 0.00 -1.51 0.00 0.00 72.50 66.87 2hde s THR 94 CO 0.08 -0.66 0.27 -1.81 -2.21 0.00 0.00 174.62 170.30 2hde s ASP 95 N 5.35 1.69 0.00 8.08 1.11 -1.26 -5.04 116.67 126.60 2hde s ASP 95 Ca 0.69 -1.75 0.00 0.00 0.18 0.00 0.00 52.55 51.67 2hde s ASP 95 Cb -0.17 0.55 0.00 0.00 1.07 0.00 0.00 42.92 44.37 2hde s ASP 95 CO 0.31 -1.06 0.00 1.33 1.18 0.00 0.00 175.17 176.94 2hde n VAL 96 N -0.63 0.00 -0.04 -1.27 0.24 -1.26 -4.27 118.33 111.10 2hde n VAL 96 Ca 0.07 0.19 -0.07 0.00 -2.04 0.00 0.00 64.34 62.49 2hde n VAL 96 Cb 0.62 -1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 31.83 2hde n VAL 96 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2hde n LYS 97 N -2.17 0.21 -2.11 7.34 4.01 -1.26 -4.65 118.16 119.52 2hde n LYS 97 Ca 0.00 0.06 -0.43 0.00 -0.51 0.00 0.00 58.31 57.43 2hde n LYS 97 Cb 0.00 -1.05 -0.03 0.00 -0.51 0.00 0.00 35.03 33.45 2hde n LYS 97 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2hde s ARG 98 N -2.17 3.39 0.00 1.97 3.52 -1.26 -4.91 118.95 119.49 2hde s ARG 98 Ca -0.12 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.72 2hde s ARG 98 Cb 0.04 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.28 2hde s ARG 98 CO 0.18 -1.79 0.00 -0.35 -0.81 0.00 0.00 175.30 172.53 2hde n PRO 99 N 8.34 0.00 0.00 5.12 -0.04 -1.26 -4.85 135.00 142.31 2hde n PRO 99 Ca 0.21 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2hde n PRO 99 Cb 0.47 -0.29 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 2.42 1.80 3.42 0.55 0.00 -1.26 -4.93 105.19 107.18 2hde n GLY 100 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2hde n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hde s TYR 101 N -0.18 1.93 -0.07 1.61 2.02 -1.26 -5.15 117.35 116.25 2hde s TYR 101 Ca 0.00 -0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 56.00 2hde s TYR 101 Cb 0.00 -1.08 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 2hde s TYR 101 CO 0.00 0.29 0.02 1.03 -1.57 0.00 0.00 175.55 175.33 2hde s ARG 102 N -3.72 3.02 0.08 -0.62 1.81 -1.26 -5.02 118.95 113.24 2hde s ARG 102 Ca 0.29 -0.40 0.03 0.00 -1.72 0.00 0.00 55.73 53.92 2hde s ARG 102 Cb 0.03 -2.83 -0.04 0.00 -0.45 0.00 0.00 34.95 31.66 2hde s ARG 102 CO 0.11 0.70 0.08 0.14 -0.68 0.00 0.00 175.30 175.66 2hde s VAL 103 N -0.94 4.56 0.25 3.52 -7.23 -1.26 -4.95 120.40 114.33 2hde s VAL 103 Ca 0.15 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.38 2hde s VAL 103 Cb -0.11 -3.19 0.02 0.00 0.56 0.00 0.00 36.38 33.66 2hde s VAL 103 CO 0.04 0.13 0.64 -0.75 -0.31 0.00 0.00 175.10 174.85 2hde s LYS 104 N -2.37 1.62 0.28 4.82 2.20 -1.12 -4.96 119.74 120.20 2hde s LYS 104 Ca 0.29 -0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 54.95 2hde s LYS 104 Cb -0.12 0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2hde s LYS 104 CO 0.22 -0.72 0.49 -1.21 -0.36 0.00 0.00 175.35 173.77 2hde s GLU 105 N -3.90 3.54 0.00 4.03 8.01 -1.26 0.30 118.70 129.42 2hde s GLU 105 Ca 0.11 -0.24 0.00 0.00 0.01 0.00 0.00 54.97 54.85 2hde s GLU 105 Cb -0.04 -2.72 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 2hde s GLU 105 CO 0.03 0.26 0.00 0.44 0.01 0.00 0.00 175.26 176.00 2hde n ILE 106 N -1.13 0.00 0.00 -1.63 -6.64 0.16 -4.91 119.36 105.21 2hde n ILE 106 Ca -0.04 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.94 2hde n ILE 106 Cb 0.55 0.27 0.00 0.00 -1.44 0.00 0.00 39.64 39.01 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 2.52 1.91 3.19 3.28 0.00 -1.18 -5.02 105.19 109.89 2hde n GLY 107 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 2.34 0.00 1.61 1.04 -1.26 0.53 113.70 117.96 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 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.71 2hde s SER 108 CO 0.00 0.22 0.00 0.35 0.98 0.00 0.00 173.24 174.79 2hde n THR 109 N 2.78 0.00 -3.89 2.02 -2.24 0.02 -4.64 114.28 108.33 2hde n THR 109 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 2hde n THR 109 Cb 0.53 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 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 -1.57 0.72 -0.92 -0.78 -1.94 -1.23 -2.29 119.30 111.30 2hde s MET 110 Ca 0.00 -0.85 -0.21 0.00 -1.71 0.00 0.00 55.69 52.92 2hde s MET 110 Cb 0.00 0.29 -0.12 0.00 2.01 0.00 0.00 34.83 37.01 2hde s MET 110 CO 0.00 -0.20 1.96 0.43 -0.01 0.00 0.00 175.02 177.20 2hde n SER 111 N 0.35 2.82 0.00 3.03 7.64 -0.94 -2.96 113.62 123.56 2hde n SER 111 Ca -0.17 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.00 2hde n SER 111 Cb 0.60 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2hde n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hde n GLY 112 N 4.63 1.25 2.98 0.23 0.00 -1.26 -4.08 105.19 108.94 2hde n GLY 112 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.27 2.00 -0.58 1.61 0.52 -1.16 -5.06 118.95 116.01 2hde s ARG 113 Ca 0.00 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 2hde s ARG 113 Cb 0.00 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.42 2hde s ARG 113 CO 0.00 -0.31 1.30 0.21 0.02 0.00 0.00 175.30 176.52 2hde s LYS 114 N 1.52 3.39 0.00 3.54 2.36 -1.26 -3.51 119.74 125.79 2hde s LYS 114 Ca 0.03 0.30 0.00 0.00 -2.55 0.00 0.00 55.97 53.75 2hde s LYS 114 Cb -0.14 -4.08 0.00 0.00 -1.05 0.00 0.00 37.83 32.57 2hde s LYS 114 CO -0.09 -1.83 0.00 0.41 1.55 0.00 0.00 175.35 175.38 2hde n GLY 115 N 5.17 0.19 0.08 5.54 0.00 -1.26 -4.97 105.19 109.94 2hde n GLY 115 Ca 0.10 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 2hde n GLY 115 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hde h THR 116 N 0.00 1.15 0.00 2.61 1.35 -1.95 -3.34 112.91 112.74 2hde h THR 116 Ca 0.00 -2.93 -0.05 0.00 -0.55 0.00 0.00 66.41 62.88 2hde h THR 116 Cb 0.00 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2hde h THR 116 CO 0.00 0.69 -0.77 -2.24 -0.25 0.00 0.00 175.52 172.96 2hde h ASP 117 N 0.01 0.00 -0.90 5.36 3.04 -1.95 -3.36 116.42 118.62 2hde h ASP 117 Ca -0.20 0.00 0.22 0.00 -3.24 0.00 0.00 57.03 53.81 2hde h ASP 117 Cb 1.94 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 40.11 2hde h ASP 117 CO 0.11 0.18 0.42 0.44 -2.04 0.00 0.00 179.24 178.34 2hde h ASP 118 N 0.00 0.37 0.58 4.15 5.19 -1.83 0.91 116.42 125.79 2hde h ASP 118 Ca -0.03 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2hde h ASP 118 Cb 1.16 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2hde h ASP 118 CO 0.02 0.02 0.00 -1.54 -3.12 0.00 0.00 179.24 174.62 2hde n SER 119 N -5.02 0.00 -4.86 6.45 3.41 -1.26 -2.00 113.62 110.35 2hde n SER 119 Ca 0.22 0.38 -0.31 0.00 -0.26 0.00 0.00 58.87 58.90 2hde n SER 119 Cb 0.65 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.90 3.62 0.18 4.33 0.00 0.31 -4.81 119.30 120.04 2hde s MET 120 Ca 0.11 0.81 0.06 0.00 0.00 0.00 0.00 55.69 56.68 2hde s MET 120 Cb 0.13 -2.08 -0.04 0.00 0.00 0.00 0.00 34.83 32.83 2hde s MET 120 CO 0.33 -0.55 0.09 0.95 0.00 0.00 0.00 175.02 175.85 2hde s THR 121 N -3.05 4.20 0.05 10.11 -4.23 -1.26 0.92 115.64 122.38 2hde s THR 121 Ca 0.56 -1.26 -0.23 0.00 -1.18 0.00 0.00 61.69 59.58 2hde s THR 121 Cb -0.11 -3.15 -0.15 0.00 1.34 0.00 0.00 72.50 70.43 2hde s THR 121 CO 0.49 -0.15 1.51 -0.07 -0.54 0.00 0.00 174.62 175.87 2hde h LEU 122 N 2.38 0.12 -1.43 4.79 3.38 -0.86 -3.00 115.31 120.68 2hde h LEU 122 Ca -0.47 -0.26 0.36 0.00 0.09 0.00 0.00 57.88 57.59 2hde h LEU 122 Cb 1.21 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 2hde h LEU 122 CO 0.61 0.35 0.78 0.06 0.09 0.00 0.00 178.44 180.33 2hde h GLN 123 N -0.11 0.21 0.00 1.13 3.07 -0.62 1.16 115.11 119.95 2hde h GLN 123 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.74 2hde h GLN 123 Cb 0.28 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 27.79 2hde h GLN 123 CO 0.00 0.14 -0.07 1.03 0.09 0.00 0.00 178.83 180.02 2hde h SER 124 N 0.21 0.00 -0.33 0.06 0.87 -1.82 -2.05 113.55 110.50 2hde h SER 124 Ca 0.71 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 2hde h SER 124 Cb 2.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 2hde h SER 124 CO -0.33 0.07 0.00 0.00 -0.53 0.00 0.00 176.83 176.04 2hde n GLN 125 N -3.28 1.95 -0.71 2.24 1.13 0.40 -4.88 117.38 114.23 2hde n GLN 125 Ca -0.01 -1.26 0.00 0.00 -1.94 0.00 0.00 57.00 53.79 2hde n GLN 125 Cb 0.27 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 0.46 0.00 -1.93 -1.09 5.02 -0.77 -4.99 118.16 114.87 2hde n LYS 126 Ca 0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.01 2hde n LYS 126 Cb 0.35 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 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 -3.23 2.66 0.13 2.13 5.36 -1.23 -5.02 117.98 118.78 2hde s PHE 127 Ca 0.00 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.31 2hde s PHE 127 Cb 0.00 -3.81 -0.01 0.00 -0.34 0.00 0.00 43.02 38.86 2hde s PHE 127 CO 0.00 -2.52 0.13 1.04 -1.46 0.00 0.00 175.22 172.41 2hde n GLN 128 N 0.06 0.18 -2.29 10.12 1.13 -1.26 -4.43 117.38 120.89 2hde n GLN 128 Ca 0.04 -1.20 -0.42 0.00 -1.94 0.00 0.00 57.00 53.47 2hde n GLN 128 Cb 0.42 1.03 -0.03 0.00 0.11 0.00 0.00 30.24 31.77 2hde n GLN 128 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2hde s ILE 129 N -2.53 3.69 0.00 5.09 1.01 -1.26 -2.58 121.20 124.63 2hde s ILE 129 Ca 0.14 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2hde s ILE 129 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2hde s ILE 129 CO 0.10 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2hde n GLY 130 N 3.40 1.82 3.23 6.18 0.00 -1.26 -5.03 105.19 113.53 2hde n GLY 130 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2hde n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hde n ASP 131 N 0.00 -4.02 -3.96 1.61 9.92 -1.06 -4.90 116.55 114.14 2hde n ASP 131 Ca 0.00 -0.82 -0.31 0.00 -0.53 0.00 0.00 54.79 53.14 2hde n ASP 131 Cb 0.00 -1.02 -0.15 0.00 -0.64 0.00 0.00 41.12 39.31 2hde n ASP 131 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 2hde s TYR 132 N -2.13 2.72 -0.14 1.24 -0.85 -1.26 -4.29 117.35 112.63 2hde s TYR 132 Ca 0.67 -2.05 -0.05 0.00 -0.52 0.00 0.00 57.07 55.11 2hde s TYR 132 Cb -0.13 -1.86 -0.04 0.00 0.38 0.00 0.00 41.96 40.32 2hde s TYR 132 CO 0.57 -0.83 0.03 -0.51 -1.52 0.00 0.00 175.55 173.29 2hde s LEU 133 N 1.28 3.70 -0.27 -3.49 1.43 -1.14 -1.73 118.68 118.46 2hde s LEU 133 Ca -0.03 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2hde s LEU 133 Cb -0.19 -1.90 0.05 0.00 0.03 0.00 0.00 46.19 44.18 2hde s LEU 133 CO -0.08 0.25 -0.07 -0.62 0.23 0.00 0.00 176.35 176.07 2hde s ASP 134 N -0.11 4.51 0.03 2.29 -1.08 0.16 -2.26 116.67 120.21 2hde s ASP 134 Ca 0.06 -1.22 -0.04 0.00 -0.52 0.00 0.00 52.55 50.83 2hde s ASP 134 Cb -0.12 -1.62 -0.05 0.00 -1.46 0.00 0.00 42.92 39.67 2hde s ASP 134 CO 0.02 -0.19 0.25 -0.63 0.52 0.00 0.00 175.17 175.13 2hde s ILE 135 N 1.21 5.33 -0.28 4.11 1.01 0.10 -2.24 121.20 130.44 2hde s ILE 135 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.60 2hde s ILE 135 Cb -0.19 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.78 2hde s ILE 135 CO -0.04 0.27 -0.02 0.00 0.00 0.00 0.00 174.94 175.15 2hde s ALA 136 N -1.39 2.42 -0.17 9.38 0.00 -0.63 -2.67 121.76 128.71 2hde s ALA 136 Ca 0.30 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 2hde s ALA 136 Cb -0.13 -1.67 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 2hde s ALA 136 CO 0.20 -1.40 0.40 0.42 0.00 0.00 0.00 175.76 175.38 2hde s ILE 137 N 1.16 5.22 -0.31 0.00 1.01 -0.68 -1.51 121.20 126.09 2hde s ILE 137 Ca -0.00 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 2hde s ILE 137 Cb -0.19 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.59 2hde s ILE 137 CO -0.08 0.31 0.02 -0.89 0.00 0.00 0.00 174.94 174.30 2hde s THR 138 N 0.89 3.12 0.15 2.92 2.01 -0.52 0.10 115.64 124.33 2hde s THR 138 Ca 0.21 -1.35 -0.30 0.00 0.31 0.00 0.00 61.69 60.56 2hde s THR 138 Cb -0.14 -2.80 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 2hde s THR 138 CO 0.08 -0.13 1.15 -2.16 -0.69 0.00 0.00 174.62 172.87 2hde s PRO 139 N 1.28 4.53 -0.23 4.92 0.04 -1.26 -2.13 135.00 142.15 2hde s PRO 139 Ca -0.04 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2hde s PRO 139 Cb -0.20 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.10 2hde s PRO 139 CO -0.00 -0.04 2.53 -0.35 0.04 0.00 0.00 177.00 179.18 2hde n PRO 140 N 2.73 1.84 0.01 0.56 -0.04 -1.26 -3.99 135.00 134.84 2hde n PRO 140 Ca 0.04 -1.34 -0.05 0.00 -0.04 0.00 0.00 63.50 62.11 2hde n PRO 140 Cb 0.46 -1.70 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 2hde n PRO 140 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2hde h ASN 141 N 2.08 0.00 0.00 3.54 7.08 -1.97 -3.44 115.58 122.87 2hde h ASN 141 Ca 0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.46 2hde h ASN 141 Cb 1.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.24 2hde h ASN 141 CO 0.53 0.83 0.00 -2.11 -2.08 0.00 0.00 177.43 174.61 2hde n ARG 142 N -3.01 1.48 -2.91 4.14 1.85 -1.26 -5.07 116.66 111.88 2hde n ARG 142 Ca -0.13 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.29 2hde n ARG 142 Cb 0.96 -0.20 -0.05 0.00 -1.05 0.00 0.00 32.46 32.13 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hde s ALA 143 N -0.37 3.25 0.44 2.89 0.00 -1.26 -5.04 121.76 121.68 2hde s ALA 143 Ca 0.00 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 2hde s ALA 143 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2hde s ALA 143 CO 0.00 -2.05 1.17 -1.25 0.00 0.00 0.00 175.76 173.63 2hde s PRO 144 N 3.50 3.85 0.80 0.00 0.04 -1.26 -4.54 135.00 137.40 2hde s PRO 144 Ca 0.31 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2hde s PRO 144 Cb -0.12 -2.50 0.07 0.00 0.04 0.00 0.00 34.50 31.99 2hde s PRO 144 CO 0.22 -0.48 1.12 -1.25 0.04 0.00 0.00 177.00 176.65 2hde s PRO 145 N -2.56 2.05 0.41 0.56 0.04 -1.26 -5.00 135.00 129.24 2hde s PRO 145 Ca 0.61 0.46 -0.27 0.00 0.04 0.00 0.00 61.00 61.84 2hde s PRO 145 Cb -0.30 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2hde s PRO 145 CO 0.36 -1.60 1.46 -2.30 0.04 0.00 0.00 177.00 174.96 2hde n PRO 146 N -3.39 2.50 -4.37 0.56 -0.02 -1.26 -5.03 135.00 123.99 2hde n PRO 146 Ca 0.07 0.88 -0.24 0.00 -2.02 0.00 0.00 63.50 62.19 2hde n PRO 146 Cb 0.58 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 2hde n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2hde s SER 147 N -0.27 3.03 -0.08 2.55 0.01 -1.26 -5.09 113.70 112.59 2hde s SER 147 Ca 0.56 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2hde s SER 147 Cb -0.47 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 2hde s SER 147 CO 0.61 0.04 -0.04 1.23 0.41 0.00 0.00 173.24 175.50 2hde h GLY 148 N 3.27 0.00 0.00 3.44 0.00 -2.07 -3.57 103.07 104.14 2hde h GLY 148 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2hde h GLY 148 CO 0.49 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.07