#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 5.24 -0.23 1.61 0.01 -1.26 -4.99 113.70 114.08 2hde s SER 3 Ca 0.00 0.00 0.10 0.00 1.31 0.00 0.00 55.95 57.37 2hde s SER 3 Cb 0.00 -1.83 0.43 0.00 0.21 0.00 0.00 66.02 64.84 2hde s SER 3 CO 0.00 0.20 1.25 1.57 0.41 0.00 0.00 173.24 176.67 2hde n HIS 4 N 3.34 0.42 -3.50 2.43 -0.00 -1.26 -5.03 115.22 111.62 2hde n HIS 4 Ca -0.17 -1.60 -0.38 0.00 -0.00 0.00 0.00 57.72 55.57 2hde n HIS 4 Cb 0.53 -0.29 -0.06 0.00 -0.00 0.00 0.00 29.99 30.16 2hde n HIS 4 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2hde s MET 5 N -3.28 4.01 0.00 1.57 1.00 -1.26 -5.07 119.30 116.26 2hde s MET 5 Ca 0.40 0.32 0.00 0.00 0.00 0.00 0.00 55.69 56.42 2hde s MET 5 Cb 0.38 -3.29 0.00 0.00 0.00 0.00 0.00 34.83 31.92 2hde s MET 5 CO -0.05 0.53 0.00 -2.13 0.00 0.00 0.00 175.02 173.37 2hde n ARG 6 N 2.43 0.00 0.05 2.03 3.00 -1.26 -5.05 116.66 117.86 2hde n ARG 6 Ca -0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.68 2hde n ARG 6 Cb 0.52 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.15 2hde n ARG 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2hde h VAL 7 N 0.99 1.31 -3.74 5.15 2.07 -2.07 -3.45 116.25 116.51 2hde h VAL 7 Ca 0.00 -1.54 -0.45 0.00 0.82 0.00 0.00 66.70 65.53 2hde h VAL 7 Cb 0.00 1.62 0.17 0.00 -1.52 0.00 0.00 31.29 31.56 2hde h VAL 7 CO 0.00 0.47 0.15 0.28 0.02 0.00 0.00 177.57 178.49 2hde s THR 8 N -4.20 2.07 0.55 2.57 -1.32 -1.26 -5.02 115.64 109.04 2hde s THR 8 Ca -0.06 0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 60.33 2hde s THR 8 Cb 0.13 -2.41 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 2hde s THR 8 CO 0.80 -0.03 0.96 -1.10 -2.21 0.00 0.00 174.62 173.03 2hde s GLN 9 N -4.84 3.72 -0.18 7.08 -0.21 -1.26 -5.05 119.66 118.91 2hde s GLN 9 Ca 0.66 0.72 -0.14 0.00 0.02 0.00 0.00 55.36 56.62 2hde s GLN 9 Cb -0.20 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 2hde s GLN 9 CO 0.59 -0.38 0.30 -1.21 -2.12 0.00 0.00 175.29 172.47 2hde s GLU 10 N -4.65 4.22 -0.19 2.91 2.02 -1.26 -5.04 118.70 116.71 2hde s GLU 10 Ca 0.55 0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.53 2hde s GLU 10 Cb -0.11 -3.46 0.07 0.00 0.10 0.00 0.00 34.13 30.73 2hde s GLU 10 CO 0.44 0.15 0.43 -1.83 0.02 0.00 0.00 175.26 174.47 2hde s GLU 11 N 0.74 0.38 -0.55 1.61 -1.05 -1.26 -5.08 118.70 113.49 2hde s GLU 11 Ca 0.16 0.92 0.07 0.00 -0.15 0.00 0.00 54.97 55.97 2hde s GLU 11 Cb -0.13 0.14 0.27 0.00 -0.44 0.00 0.00 34.13 33.97 2hde s GLU 11 CO 0.05 -0.20 0.73 -0.89 0.95 0.00 0.00 175.26 175.90 2hde n ILE 12 N 4.74 1.54 -3.40 1.83 2.08 -1.26 -5.02 119.36 119.88 2hde n ILE 12 Ca -0.17 -4.94 -0.01 0.00 0.56 0.00 0.00 62.75 58.19 2hde n ILE 12 Cb 0.53 -1.80 -0.04 0.00 -0.75 0.00 0.00 39.64 37.58 2hde n ILE 12 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2hde s LYS 13 N -2.33 0.52 -0.08 0.38 2.47 -1.26 -5.15 119.74 114.29 2hde s LYS 13 Ca 0.40 1.11 0.01 0.00 -1.56 0.00 0.00 55.97 55.93 2hde s LYS 13 Cb 0.19 0.52 0.02 0.00 -1.46 0.00 0.00 37.83 37.10 2hde s LYS 13 CO -0.06 -0.44 -0.08 0.15 0.16 0.00 0.00 175.35 175.08 2hde s LYS 14 N 2.81 1.34 0.06 4.03 1.02 -1.26 -5.14 119.74 122.61 2hde s LYS 14 Ca 0.08 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.85 2hde s LYS 14 Cb -0.14 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 35.84 2hde s LYS 14 CO -0.19 -0.13 -0.08 -1.83 -0.92 0.00 0.00 175.35 172.21 2hde s GLU 15 N 1.20 0.65 -0.36 1.68 1.03 -1.26 -5.11 118.70 116.53 2hde s GLU 15 Ca -0.05 -0.97 -0.28 0.00 0.03 0.00 0.00 54.97 53.69 2hde s GLU 15 Cb -0.14 -0.28 -0.01 0.00 -0.80 0.00 0.00 34.13 32.90 2hde s GLU 15 CO -0.02 0.03 1.74 -1.25 -1.33 0.00 0.00 175.26 174.43 2hde s PRO 16 N -2.40 3.33 -0.51 -4.83 0.04 -1.26 -4.94 135.00 124.42 2hde s PRO 16 Ca -0.02 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.36 2hde s PRO 16 Cb -0.04 -4.18 0.15 0.00 0.04 0.00 0.00 34.50 30.46 2hde s PRO 16 CO -0.01 -1.86 0.33 -1.21 0.04 0.00 0.00 177.00 174.28 2hde s GLU 17 N 5.63 1.60 0.09 4.56 0.41 -1.26 -5.10 118.70 124.63 2hde s GLU 17 Ca 0.76 -2.45 0.07 0.00 -0.41 0.00 0.00 54.97 52.95 2hde s GLU 17 Cb -0.20 -2.56 -0.04 0.00 -1.78 0.00 0.00 34.13 29.55 2hde s GLU 17 CO 0.33 -1.23 -0.13 0.15 -0.49 0.00 0.00 175.26 173.88 2hde s LYS 18 N -0.25 2.04 0.59 1.61 -0.14 -1.26 -5.12 119.74 117.21 2hde s LYS 18 Ca 0.22 -1.04 -0.17 0.00 -1.36 0.00 0.00 55.97 53.61 2hde s LYS 18 Cb -0.14 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 2hde s LYS 18 CO -0.08 0.51 1.11 -1.25 -0.76 0.00 0.00 175.35 174.89 2hde s PRO 19 N -2.02 3.15 -0.04 -1.68 0.04 -1.26 -5.03 135.00 128.16 2hde s PRO 19 Ca 0.19 1.49 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 2hde s PRO 19 Cb -0.11 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2hde s PRO 19 CO 0.11 -0.99 0.45 0.42 0.04 0.00 0.00 177.00 177.03 2hde s ILE 20 N -2.05 5.07 -0.40 0.56 1.01 -1.26 -4.99 121.20 119.14 2hde s ILE 20 Ca 0.70 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.96 2hde s ILE 20 Cb -0.22 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2hde s ILE 20 CO 0.33 0.47 2.31 0.47 0.00 0.00 0.00 174.94 178.52 2hde n ASP 21 N 2.60 2.39 -0.15 3.58 9.92 -1.26 -4.82 116.55 128.82 2hde n ASP 21 Ca -0.11 0.07 0.03 0.00 -0.53 0.00 0.00 54.79 54.25 2hde n ASP 21 Cb 0.52 -1.42 0.32 0.00 -0.64 0.00 0.00 41.12 39.90 2hde n ASP 21 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2hde h ARG 22 N 15.25 0.81 -0.01 -1.24 3.08 -1.94 -0.71 114.38 129.60 2hde h ARG 22 Ca -0.29 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2hde h ARG 22 Cb 1.28 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2hde h ARG 22 CO 1.07 0.53 -0.36 -1.91 -1.07 0.00 0.00 179.97 178.23 2hde n GLU 23 N -4.45 1.51 -0.87 0.04 2.13 -1.26 -4.43 120.64 113.31 2hde n GLU 23 Ca 0.07 -0.98 0.05 0.00 0.66 0.00 0.00 57.16 56.97 2hde n GLU 23 Cb 0.09 -1.37 0.15 0.00 0.27 0.00 0.00 31.44 30.58 2hde n GLU 23 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2hde n LYS 24 N 0.04 1.09 -5.15 5.31 3.00 -0.97 -5.04 118.16 116.45 2hde n LYS 24 Ca 0.08 -2.89 -0.30 0.00 -0.00 0.00 0.00 58.31 55.20 2hde n LYS 24 Cb 0.41 -1.12 -0.16 0.00 0.00 0.00 0.00 35.03 34.16 2hde n LYS 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2hde s THR 25 N -2.23 2.00 0.62 3.15 2.01 -0.31 -4.75 115.64 116.13 2hde s THR 25 Ca 0.36 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.10 2hde s THR 25 Cb 0.37 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2hde s THR 25 CO -0.10 0.50 1.03 -0.94 -0.69 0.00 0.00 174.62 174.42 2hde s SER 26 N -0.76 6.14 0.89 3.53 1.04 -1.26 -4.91 113.70 118.38 2hde s SER 26 Ca 0.10 1.46 -0.13 0.00 0.48 0.00 0.00 55.95 57.86 2hde s SER 26 Cb -0.10 -2.48 0.16 0.00 0.10 0.00 0.00 66.02 63.71 2hde s SER 26 CO -0.00 -0.93 1.24 -2.16 0.98 0.00 0.00 173.24 172.37 2hde s PRO 27 N -5.08 1.07 0.04 4.02 0.04 -1.26 -4.43 135.00 129.39 2hde s PRO 27 Ca 0.56 -0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.00 2hde s PRO 27 Cb -0.11 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.50 2hde s PRO 27 CO 0.53 -2.09 0.37 -0.48 0.04 0.00 0.00 177.00 175.36 2hde s LEU 28 N -5.70 0.59 -0.06 -3.56 0.05 0.24 -4.82 118.68 105.41 2hde s LEU 28 Ca 0.70 -0.06 -0.30 0.00 0.05 0.00 0.00 54.13 54.52 2hde s LEU 28 Cb -0.05 1.59 -0.04 0.00 -2.05 0.00 0.00 46.19 45.64 2hde s LEU 28 CO 0.51 -0.64 1.28 -0.22 -0.55 0.00 0.00 176.35 176.73 2hde s LEU 29 N -1.99 4.27 0.03 1.48 2.96 -1.26 -2.34 118.68 121.83 2hde s LEU 29 Ca -0.06 1.88 0.04 0.00 -0.22 0.00 0.00 54.13 55.77 2hde s LEU 29 Cb -0.01 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 2hde s LEU 29 CO -0.02 -0.67 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.01 2hde s LEU 30 N 2.59 2.14 -0.25 -0.68 1.98 -0.96 -4.67 118.68 118.84 2hde s LEU 30 Ca 0.58 -0.38 -0.12 0.00 -2.89 0.00 0.00 54.13 51.33 2hde s LEU 30 Cb -0.26 -0.45 -0.05 0.00 0.66 0.00 0.00 46.19 46.10 2hde s LEU 30 CO 0.22 0.00 0.21 -0.13 -1.89 0.00 0.00 176.35 174.76 2hde s ARG 31 N -0.93 4.04 -0.08 1.98 0.52 -1.26 -2.73 118.95 120.49 2hde s ARG 31 Ca -0.00 -0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 2hde s ARG 31 Cb -0.07 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.84 2hde s ARG 31 CO 0.01 -0.04 -0.11 0.14 0.02 0.00 0.00 175.30 175.31 2hde s VAL 32 N 1.35 1.13 -0.28 3.52 -7.23 -0.57 -2.88 120.40 115.44 2hde s VAL 32 Ca 0.09 -0.44 -0.10 0.00 -1.81 0.00 0.00 61.98 59.72 2hde s VAL 32 Cb -0.14 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2hde s VAL 32 CO 0.07 0.37 0.16 -0.36 -0.31 0.00 0.00 175.10 175.02 2hde s PHE 33 N 0.99 3.18 -0.21 2.82 0.40 -0.97 -0.02 117.98 124.16 2hde s PHE 33 Ca -0.08 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2hde s PHE 33 Cb -0.15 -2.35 -0.01 0.00 0.51 0.00 0.00 43.02 41.02 2hde s PHE 33 CO -0.00 -0.27 -0.04 0.95 0.70 0.00 0.00 175.22 176.56 2hde s THR 34 N 1.70 3.50 0.21 0.64 -4.23 -1.10 0.28 115.64 116.63 2hde s THR 34 Ca 0.06 -0.46 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 2hde s THR 34 Cb -0.16 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2hde s THR 34 CO 0.08 0.43 0.16 0.28 -0.54 0.00 0.00 174.62 175.04 2hde s THR 35 N 1.28 4.44 -0.40 3.99 -1.32 -1.05 -4.89 115.64 117.70 2hde s THR 35 Ca 0.03 -1.27 0.05 0.00 -1.21 0.00 0.00 61.69 59.30 2hde s THR 35 Cb -0.14 -3.34 0.61 0.00 -1.51 0.00 0.00 72.50 68.12 2hde s THR 35 CO -0.01 -0.24 1.77 -3.20 -2.21 0.00 0.00 174.62 170.73 2hde n ASN 36 N -0.78 3.36 0.00 8.08 4.05 -1.25 -1.05 115.26 127.67 2hde n ASN 36 Ca -0.08 -3.68 0.00 0.00 0.45 0.00 0.00 54.58 51.27 2hde n ASN 36 Cb 0.56 -0.77 0.00 0.00 1.23 0.00 0.00 39.78 40.80 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 -1.14 0.51 -3.76 1.20 2.85 -0.71 -4.41 115.26 109.79 2hde n ASN 37 Ca 0.51 -1.05 -0.29 0.00 -0.11 0.00 0.00 54.58 53.65 2hde n ASN 37 Cb 1.45 0.00 0.02 0.00 1.24 0.00 0.00 39.78 42.50 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 -0.02 -0.70 2.61 8.20 0.00 0.24 -4.80 105.19 110.72 2hde n GLY 38 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -6.15 1.11 -0.05 1.61 1.81 -1.26 -4.91 118.95 111.11 2hde s ARG 39 Ca 0.29 -1.91 0.12 0.00 -1.72 0.00 0.00 55.73 52.51 2hde s ARG 39 Cb -0.10 -2.00 0.44 0.00 -0.45 0.00 0.00 34.95 32.84 2hde s ARG 39 CO 0.86 -1.21 1.32 -2.39 -0.68 0.00 0.00 175.30 173.20 2hde n HIS 40 N 3.49 0.83 -0.33 -0.53 1.44 -1.26 -4.62 115.22 114.26 2hde n HIS 40 Ca 0.13 -0.35 -0.09 0.00 -2.01 0.00 0.00 57.72 55.40 2hde n HIS 40 Cb 0.37 -0.11 -0.06 0.00 0.12 0.00 0.00 29.99 30.31 2hde n HIS 40 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2hde h HIS 41 N 2.62 -1.59 -1.89 -1.40 2.07 -1.94 -3.45 115.15 109.57 2hde h HIS 41 Ca 0.00 0.11 0.23 0.00 -2.85 0.00 0.00 60.37 57.86 2hde h HIS 41 Cb 0.87 0.81 -0.04 0.00 2.57 0.00 0.00 27.41 31.62 2hde h HIS 41 CO 0.43 -0.41 0.61 2.89 -3.07 0.00 0.00 177.93 178.38 2hde n ARG 42 N -5.34 0.16 0.06 5.12 1.85 -1.26 -4.58 116.66 112.66 2hde n ARG 42 Ca 0.03 -0.59 0.21 0.00 -1.00 0.00 0.00 57.85 56.50 2hde n ARG 42 Cb 0.32 0.94 0.69 0.00 -1.05 0.00 0.00 32.46 33.36 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 0.00 -0.88 2.89 -0.00 -1.84 -0.53 114.93 114.57 2hde h MET 43 Ca -0.15 0.00 0.26 0.00 -0.00 0.00 0.00 59.70 59.80 2hde h MET 43 Cb 0.82 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.39 2hde h MET 43 CO 0.22 0.00 0.75 -0.44 -0.00 0.00 0.00 176.91 177.44 2hde h ASP 44 N 0.00 0.00 0.41 -0.10 5.19 -1.96 0.88 116.42 120.83 2hde h ASP 44 Ca 0.23 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.44 2hde h ASP 44 Cb 1.38 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 2hde h ASP 44 CO -0.00 0.00 -0.85 -0.08 -3.12 0.00 0.00 179.24 175.19 2hde h GLU 45 N 0.00 0.32 -1.78 3.56 4.57 -1.42 -3.43 114.58 116.41 2hde h GLU 45 Ca 0.42 -0.32 -0.23 0.00 -1.18 0.00 0.00 59.36 58.05 2hde h GLU 45 Cb 1.92 0.08 -0.29 0.00 -0.16 0.00 0.00 28.75 30.30 2hde h GLU 45 CO -0.00 1.00 -0.57 -0.59 -1.18 0.00 0.00 179.01 177.66 2hde s PHE 46 N -3.36 -0.87 0.02 0.92 -0.12 0.30 -4.88 117.98 109.99 2hde s PHE 46 Ca -0.05 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 2hde s PHE 46 Cb 0.10 -0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.27 2hde s PHE 46 CO 0.84 -0.98 0.00 -1.13 -0.05 0.00 0.00 175.22 173.90 2hde n SER 47 N 5.18 -0.19 -4.23 1.98 3.41 -0.54 -4.55 113.62 114.67 2hde n SER 47 Ca 0.02 0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.41 2hde n SER 47 Cb 0.49 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 2hde n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hde s ARG 48 N -2.00 2.64 0.00 4.33 1.70 -1.26 -4.60 118.95 119.76 2hde s ARG 48 Ca 0.00 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 2hde s ARG 48 Cb 0.00 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 2hde s ARG 48 CO 0.00 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.06 2hde n GLY 49 N 4.72 2.84 2.58 3.88 0.00 -1.26 -4.92 105.19 113.02 2hde n GLY 49 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 2hde n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hde s ASN 50 N 0.50 3.20 0.76 1.61 2.20 -1.26 -5.14 114.94 116.79 2hde s ASN 50 Ca 0.00 -1.18 -0.11 0.00 -0.94 0.00 0.00 52.86 50.63 2hde s ASN 50 Cb 0.00 -0.20 0.05 0.00 -2.00 0.00 0.00 41.25 39.09 2hde s ASN 50 CO 0.00 -0.43 1.08 0.68 -2.94 0.00 0.00 177.10 175.49 2hde s VAL 51 N 2.15 3.50 -0.05 3.54 -7.23 -1.26 -1.47 120.40 119.57 2hde s VAL 51 Ca 0.09 0.49 -0.00 0.00 -1.81 0.00 0.00 61.98 60.75 2hde s VAL 51 Cb -0.16 -3.05 0.04 0.00 0.56 0.00 0.00 36.38 33.78 2hde s VAL 51 CO -0.36 -0.64 1.74 -0.81 -0.31 0.00 0.00 175.10 174.73 2hde n PRO 52 N -3.43 1.13 0.03 4.82 -0.04 -1.26 -4.53 135.00 131.72 2hde n PRO 52 Ca 0.09 -0.26 0.01 0.00 -0.04 0.00 0.00 63.50 63.30 2hde n PRO 52 Cb 0.53 -1.10 0.07 0.00 -0.04 0.00 0.00 33.50 32.96 2hde n PRO 52 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hde n SER 53 N 1.04 0.07 -3.49 3.54 3.41 -1.26 -3.05 113.62 113.87 2hde n SER 53 Ca 0.05 0.39 -0.40 0.00 -0.26 0.00 0.00 58.87 58.65 2hde n SER 53 Cb 0.54 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 2hde n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2hde n SER 54 N -1.47 7.77 -4.79 4.04 2.88 -1.26 -4.96 113.62 115.83 2hde n SER 54 Ca -0.00 -3.34 -0.28 0.00 -1.33 0.00 0.00 58.87 53.92 2hde n SER 54 Cb 0.17 -1.29 -0.06 0.00 -0.75 0.00 0.00 64.21 62.29 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 -2.28 2.90 0.07 -1.46 -1.05 -1.17 -2.70 118.70 113.01 2hde s GLU 55 Ca 0.49 -0.80 0.05 0.00 -0.15 0.00 0.00 54.97 54.56 2hde s GLU 55 Cb 0.20 -2.68 -0.03 0.00 -0.44 0.00 0.00 34.13 31.18 2hde s GLU 55 CO -0.12 0.51 -0.13 -0.48 0.95 0.00 0.00 175.26 176.00 2hde s LEU 56 N -2.85 2.29 -0.03 1.83 2.34 0.97 -4.97 118.68 118.25 2hde s LEU 56 Ca 0.30 -0.63 -0.01 0.00 0.06 0.00 0.00 54.13 53.85 2hde s LEU 56 Cb -0.11 -0.45 -0.04 0.00 -0.56 0.00 0.00 46.19 45.03 2hde s LEU 56 CO 0.23 -0.11 0.05 -1.10 -1.06 0.00 0.00 176.35 174.36 2hde s GLN 57 N -1.83 3.03 -0.05 1.48 1.11 -1.26 -1.52 119.66 120.62 2hde s GLN 57 Ca -0.02 -0.46 -0.07 0.00 0.01 0.00 0.00 55.36 54.82 2hde s GLN 57 Cb -0.09 -2.84 0.02 0.00 -1.01 0.00 0.00 33.01 29.08 2hde s GLN 57 CO 0.02 0.67 0.18 0.96 0.01 0.00 0.00 175.29 177.13 2hde s ILE 58 N -1.08 0.02 -0.86 1.08 -4.36 -1.11 -4.92 121.20 109.97 2hde s ILE 58 Ca 0.19 -0.16 -0.14 0.00 -0.26 0.00 0.00 60.65 60.28 2hde s ILE 58 Cb -0.12 -0.32 0.21 0.00 1.25 0.00 0.00 42.46 43.49 2hde s ILE 58 CO 0.09 -0.09 0.84 -0.31 0.24 0.00 0.00 174.94 175.72 2hde s TYR 59 N -0.26 3.70 0.46 1.37 2.02 -1.25 -2.25 117.35 121.14 2hde s TYR 59 Ca -0.04 -1.95 0.03 0.00 -0.37 0.00 0.00 57.07 54.74 2hde s TYR 59 Cb -0.03 -3.89 -0.04 0.00 -0.40 0.00 0.00 41.96 37.61 2hde s TYR 59 CO 0.01 -1.06 0.02 -0.08 -1.57 0.00 0.00 175.55 172.87 2hde s THR 60 N 0.44 1.31 -0.18 -0.71 -1.32 -0.99 -4.49 115.64 109.70 2hde s THR 60 Ca 0.21 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.69 2hde s THR 60 Cb -0.09 -2.45 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 2hde s THR 60 CO -0.09 0.00 -0.17 -1.66 -2.21 0.00 0.00 174.62 170.49 2hde s TRP 61 N -2.91 2.79 0.21 9.09 -2.14 -1.26 0.80 118.94 125.53 2hde s TRP 61 Ca 0.18 -1.42 0.17 0.00 2.66 0.00 0.00 56.10 57.69 2hde s TRP 61 Cb 0.04 -1.93 0.71 0.00 -3.10 0.00 0.00 33.47 29.20 2hde s TRP 61 CO 0.09 -0.70 0.71 -1.33 -2.66 0.00 0.00 176.95 173.07 2hde n MET 62 N 4.50 -0.01 -0.40 3.25 2.81 -1.26 0.21 117.12 126.21 2hde n MET 62 Ca -0.20 0.55 -0.08 0.00 -1.81 0.00 0.00 57.70 56.16 2hde n MET 62 Cb 0.51 -1.13 0.06 0.00 -0.71 0.00 0.00 33.22 31.94 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 -3.40 3.23 -4.82 7.83 2.03 -1.26 -2.46 116.55 117.71 2hde n ASP 63 Ca 0.19 -2.53 -0.38 0.00 0.52 0.00 0.00 54.79 52.59 2hde n ASP 63 Cb 0.77 -0.61 -0.06 0.00 -0.72 0.00 0.00 41.12 40.50 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hde s ALA 64 N -1.10 3.59 0.60 -1.67 0.00 0.58 -4.62 121.76 119.14 2hde s ALA 64 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 2hde s ALA 64 Cb 0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 2hde s ALA 64 CO 0.04 0.41 1.03 0.95 0.00 0.00 0.00 175.76 178.19 2hde s THR 65 N -1.18 4.37 0.54 0.00 -4.23 -1.26 -1.00 115.64 112.89 2hde s THR 65 Ca 0.31 0.93 0.37 0.00 -1.18 0.00 0.00 61.69 62.11 2hde s THR 65 Cb -0.19 -3.65 0.56 0.00 1.34 0.00 0.00 72.50 70.57 2hde s THR 65 CO 0.19 -0.85 1.80 -0.07 -0.54 0.00 0.00 174.62 175.14 2hde h LEU 66 N 0.08 0.00 0.42 4.79 -0.00 0.15 0.11 115.31 120.86 2hde h LEU 66 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.41 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 -0.20 0.50 -0.00 0.00 0.00 178.44 179.34 2hde h LYS 67 N 0.00 -0.55 -0.88 1.13 3.11 -1.71 -2.24 116.57 115.43 2hde h LYS 67 Ca 0.58 0.04 0.21 0.00 -2.81 0.00 0.00 60.65 58.66 2hde h LYS 67 Cb 2.32 0.12 -0.12 0.00 -1.00 0.00 0.00 32.23 33.56 2hde h LYS 67 CO -0.01 -0.29 0.39 1.49 -2.81 0.00 0.00 179.45 178.22 2hde h GLU 68 N -0.71 0.42 0.00 1.90 4.22 -1.10 0.63 114.58 119.95 2hde h GLU 68 Ca -0.06 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.29 2hde h GLU 68 Cb 0.51 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2hde h GLU 68 CO 0.10 0.28 -0.30 -0.07 -2.18 0.00 0.00 179.01 176.83 2hde h LEU 69 N 0.43 0.00 -1.38 1.64 -0.00 -1.37 -2.16 115.31 112.48 2hde h LEU 69 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.42 2hde h LEU 69 Cb 0.98 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.61 2hde h LEU 69 CO -0.50 0.30 0.37 0.74 -0.00 0.00 0.00 178.44 179.35 2hde h THR 70 N 0.00 1.16 0.15 0.22 2.02 0.90 -2.41 112.91 114.94 2hde h THR 70 Ca -0.00 -0.33 -0.29 0.00 0.77 0.00 0.00 66.41 66.55 2hde h THR 70 Cb 0.57 0.32 0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2hde h THR 70 CO 0.04 0.16 -1.24 -1.28 0.37 0.00 0.00 175.52 173.57 2hde h SER 71 N 0.80 0.83 -0.58 4.18 0.87 -1.14 -3.04 113.55 115.47 2hde h SER 71 Ca 0.21 -0.85 0.07 0.00 -1.23 0.00 0.00 61.79 59.99 2hde h SER 71 Cb -0.06 -0.26 -0.10 0.00 -0.44 0.00 0.00 62.40 61.54 2hde h SER 71 CO -0.04 1.61 -0.53 -0.07 -0.53 0.00 0.00 176.83 177.27 2hde h LEU 72 N 0.18 -1.81 -0.83 2.23 3.38 -0.91 0.26 115.31 117.80 2hde h LEU 72 Ca -0.20 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2hde h LEU 72 Cb 1.93 0.78 -0.04 0.00 0.09 0.00 0.00 40.66 43.42 2hde h LEU 72 CO 0.24 -0.35 0.53 0.58 0.09 0.00 0.00 178.44 179.53 2hde h VAL 73 N -0.27 1.22 -0.51 1.22 2.07 -1.62 -2.63 116.25 115.73 2hde h VAL 73 Ca 0.13 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.29 2hde h VAL 73 Cb 0.55 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 2hde h VAL 73 CO -0.70 0.22 0.13 0.11 0.02 0.00 0.00 177.57 177.35 2hde h LYS 74 N 1.13 0.27 0.00 1.57 6.56 -0.61 0.74 116.57 126.23 2hde h LYS 74 Ca 0.30 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.85 2hde h LYS 74 Cb -0.10 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.50 2hde h LYS 74 CO -0.06 0.18 -0.11 0.93 -2.06 0.00 0.00 179.45 178.33 2hde h GLU 75 N 0.28 0.00 -0.55 3.15 4.39 -0.29 -1.81 114.58 119.75 2hde h GLU 75 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2hde h GLU 75 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2hde h GLU 75 CO -0.31 0.11 0.00 0.28 -1.16 0.00 0.00 179.01 177.93 2hde n VAL 76 N -4.31 1.16 -3.43 3.13 0.31 -0.08 -4.87 118.33 110.23 2hde n VAL 76 Ca -0.03 -1.06 -0.11 0.00 -0.01 0.00 0.00 64.34 63.13 2hde n VAL 76 Cb 0.18 0.42 -0.09 0.00 -0.91 0.00 0.00 33.84 33.44 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 -1.18 -0.68 0.07 3.52 6.14 0.24 -5.00 117.35 120.45 2hde s TYR 77 Ca 0.39 0.80 -0.16 0.00 0.64 0.00 0.00 57.07 58.73 2hde s TYR 77 Cb 0.21 -0.03 -0.17 0.00 0.42 0.00 0.00 41.96 42.40 2hde s TYR 77 CO 0.24 -0.64 1.27 -1.00 0.64 0.00 0.00 175.55 176.06 2hde h PRO 78 N 8.22 0.62 0.00 4.97 0.13 -1.86 -3.17 132.00 140.91 2hde h PRO 78 Ca -0.18 -0.49 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 2hde h PRO 78 Cb 1.15 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2hde h PRO 78 CO 0.25 1.11 -0.03 1.49 -0.23 0.00 0.00 178.00 180.59 2hde h GLU 79 N 0.28 0.00 -0.06 0.86 4.81 -1.96 -2.06 114.58 116.45 2hde h GLU 79 Ca -0.03 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2hde h GLU 79 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2hde h GLU 79 CO 0.12 0.03 -0.63 0.00 -0.73 0.00 0.00 179.01 177.80 2hde h ALA 80 N 1.97 0.84 0.00 2.92 0.00 -1.90 -2.93 119.26 120.16 2hde h ALA 80 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2hde h ALA 80 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hde h ALA 80 CO 0.00 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.00 2hde h ARG 81 N 0.15 0.00 -6.84 0.00 3.08 -1.46 -3.44 114.38 105.88 2hde h ARG 81 Ca -0.01 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.51 2hde h ARG 81 Cb 1.14 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.27 2hde h ARG 81 CO 0.09 0.00 0.84 0.21 -1.07 0.00 0.00 179.97 180.05 2hde s LYS 82 N -4.01 4.13 0.30 0.04 2.20 -1.11 -4.93 119.74 116.37 2hde s LYS 82 Ca -0.04 2.55 -0.29 0.00 -0.36 0.00 0.00 55.97 57.83 2hde s LYS 82 Cb 0.11 -3.02 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 2hde s LYS 82 CO 0.37 -0.58 1.38 -1.59 -0.36 0.00 0.00 175.35 174.57 2hde s LYS 83 N -0.94 4.29 0.00 4.03 0.00 -1.26 -2.98 119.74 122.89 2hde s LYS 83 Ca 0.60 2.29 0.00 0.00 0.00 0.00 0.00 55.97 58.86 2hde s LYS 83 Cb -0.47 -3.08 0.00 0.00 0.00 0.00 0.00 37.83 34.29 2hde s LYS 83 CO 0.52 -0.32 0.00 0.41 0.00 0.00 0.00 175.35 175.95 2hde n GLY 84 N 1.33 0.84 3.57 0.59 0.00 -1.26 -4.77 105.19 105.49 2hde n GLY 84 Ca 0.03 0.00 -0.42 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 -2.08 4.04 -0.46 2.61 2.01 -1.16 -3.64 115.64 116.96 2hde s THR 85 Ca 0.00 0.72 -0.17 0.00 0.31 0.00 0.00 61.69 62.55 2hde s THR 85 Cb 0.00 -4.72 0.05 0.00 0.01 0.00 0.00 72.50 67.84 2hde s THR 85 CO 0.00 -1.37 0.47 -2.28 -0.69 0.00 0.00 174.62 170.75 2hde s HIS 86 N 4.88 3.16 0.13 4.92 2.46 -0.68 -1.21 115.29 128.95 2hde s HIS 86 Ca 0.40 -0.60 0.07 0.00 0.47 0.00 0.00 55.06 55.40 2hde s HIS 86 Cb -0.08 -3.13 -0.04 0.00 -0.13 0.00 0.00 32.58 29.19 2hde s HIS 86 CO 0.23 -0.81 -0.07 -0.59 -2.47 0.00 0.00 174.74 171.02 2hde s PHE 87 N 2.09 2.75 0.13 3.88 -0.12 -0.03 0.25 117.98 126.94 2hde s PHE 87 Ca 0.10 -0.16 0.10 0.00 -0.05 0.00 0.00 56.93 56.92 2hde s PHE 87 Cb -0.20 -1.40 -0.04 0.00 -0.63 0.00 0.00 43.02 40.75 2hde s PHE 87 CO 0.11 0.46 -0.24 -0.80 -0.05 0.00 0.00 175.22 174.70 2hde s ASN 88 N -2.48 3.04 -0.17 1.98 -0.87 0.21 -0.32 114.94 116.34 2hde s ASN 88 Ca 0.23 -0.75 -0.04 0.00 -1.57 0.00 0.00 52.86 50.74 2hde s ASN 88 Cb -0.10 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.25 40.91 2hde s ASN 88 CO 0.15 0.12 -0.04 -0.36 -2.57 0.00 0.00 177.10 174.40 2hde s PHE 89 N -1.24 3.01 -0.03 2.20 0.08 0.16 -0.79 117.98 121.37 2hde s PHE 89 Ca 0.12 -0.39 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 2hde s PHE 89 Cb -0.09 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2hde s PHE 89 CO 0.06 -0.12 0.30 0.00 -0.10 0.00 0.00 175.22 175.36 2hde s ALA 90 N 0.56 -0.75 -0.35 5.36 0.00 -0.96 -1.55 121.76 124.07 2hde s ALA 90 Ca -0.03 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.13 2hde s ALA 90 Cb -0.14 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 2hde s ALA 90 CO 0.03 -0.24 0.53 0.42 0.00 0.00 0.00 175.76 176.50 2hde s ILE 91 N -1.09 5.00 0.15 0.00 1.01 0.69 0.63 121.20 127.59 2hde s ILE 91 Ca -0.11 0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2hde s ILE 91 Cb -0.05 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2hde s ILE 91 CO 0.03 -0.24 -0.03 0.68 0.00 0.00 0.00 174.94 175.38 2hde s VAL 92 N 2.43 0.78 0.03 2.92 -7.23 -0.96 -2.78 120.40 115.59 2hde s VAL 92 Ca 0.19 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2hde s VAL 92 Cb -0.15 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 2hde s VAL 92 CO 0.14 -0.61 -0.09 0.72 -0.31 0.00 0.00 175.10 174.94 2hde s PHE 93 N -3.58 0.80 0.35 2.82 -0.12 -1.26 -4.50 117.98 112.49 2hde s PHE 93 Ca 0.20 -0.36 -0.26 0.00 -0.05 0.00 0.00 56.93 56.46 2hde s PHE 93 Cb 0.05 -0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 41.87 2hde s PHE 93 CO 0.01 -0.03 1.10 0.95 -0.05 0.00 0.00 175.22 177.21 2hde s THR 94 N -0.92 3.49 0.40 -4.49 -4.23 -1.26 -4.69 115.64 103.93 2hde s THR 94 Ca -0.03 1.30 0.08 0.00 -1.18 0.00 0.00 61.69 61.85 2hde s THR 94 Cb -0.07 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 69.97 2hde s THR 94 CO 0.01 0.16 0.16 -0.62 -0.54 0.00 0.00 174.62 173.79 2hde s ASP 95 N -1.19 4.44 0.00 3.99 2.15 -1.26 -5.10 116.67 119.70 2hde s ASP 95 Ca 0.52 -1.03 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2hde s ASP 95 Cb -0.28 -0.52 0.00 0.00 -0.30 0.00 0.00 42.92 41.82 2hde s ASP 95 CO 0.36 -0.49 0.00 1.33 -0.17 0.00 0.00 175.17 176.20 2hde n VAL 96 N -1.21 0.00 -0.04 1.11 0.24 -1.26 -4.82 118.33 112.35 2hde n VAL 96 Ca -0.01 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.21 2hde n VAL 96 Cb 0.64 -0.16 -0.04 0.00 -1.47 0.00 0.00 33.84 32.81 2hde n VAL 96 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2hde n LYS 97 N -0.80 0.21 -3.37 7.34 -0.00 -1.26 -4.94 118.16 115.34 2hde n LYS 97 Ca 0.00 0.07 -0.44 0.00 -0.00 0.00 0.00 58.31 57.94 2hde n LYS 97 Cb 0.00 -1.03 -0.08 0.00 -0.00 0.00 0.00 35.03 33.92 2hde n LYS 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2hde s ARG 98 N -2.17 3.01 0.00 -1.58 1.70 -1.26 -5.03 118.95 113.61 2hde s ARG 98 Ca -0.12 -1.13 0.00 0.00 -0.47 0.00 0.00 55.73 54.00 2hde s ARG 98 Cb 0.04 -4.07 0.00 0.00 -0.57 0.00 0.00 34.95 30.35 2hde s ARG 98 CO 0.19 -0.96 0.00 -0.35 -1.08 0.00 0.00 175.30 173.09 2hde n PRO 99 N 5.37 0.00 0.00 3.89 -0.04 -1.26 -4.83 135.00 138.13 2hde n PRO 99 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2hde n PRO 99 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 5.00 1.56 3.75 0.55 0.00 -1.26 -4.97 105.19 109.82 2hde n GLY 100 Ca 0.00 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.11 2.40 0.11 1.61 1.51 -1.26 -5.05 117.35 116.56 2hde s TYR 101 Ca 0.00 1.52 0.07 0.00 -1.01 0.00 0.00 57.07 57.64 2hde s TYR 101 Cb 0.00 -3.47 -0.04 0.00 -0.11 0.00 0.00 41.96 38.35 2hde s TYR 101 CO 0.00 -2.18 -0.16 0.50 -1.11 0.00 0.00 175.55 172.60 2hde s ARG 102 N -3.35 1.02 0.29 -0.62 3.52 -1.26 -4.96 118.95 113.58 2hde s ARG 102 Ca 0.77 -1.17 0.11 0.00 -0.13 0.00 0.00 55.73 55.31 2hde s ARG 102 Cb -0.30 -1.04 -0.05 0.00 -1.56 0.00 0.00 34.95 32.00 2hde s ARG 102 CO 0.33 0.22 -0.12 0.14 -0.81 0.00 0.00 175.30 175.06 2hde s VAL 103 N -1.69 2.72 0.12 7.11 -7.23 -1.26 -4.96 120.40 115.22 2hde s VAL 103 Ca 0.06 -2.23 -0.06 0.00 -1.81 0.00 0.00 61.98 57.94 2hde s VAL 103 Cb -0.07 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 2hde s VAL 103 CO 0.04 -0.36 0.18 -0.75 -0.31 0.00 0.00 175.10 173.89 2hde s LYS 104 N -3.58 0.96 0.08 4.82 2.20 -1.12 -4.87 119.74 118.23 2hde s LYS 104 Ca 0.31 -1.16 0.04 0.00 -0.36 0.00 0.00 55.97 54.80 2hde s LYS 104 Cb -0.04 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.56 2hde s LYS 104 CO 0.17 -0.31 0.02 -2.00 -0.36 0.00 0.00 175.35 172.87 2hde s GLU 105 N -3.95 2.65 -0.00 4.03 2.12 -1.26 -0.22 118.70 122.07 2hde s GLU 105 Ca 0.14 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.72 2hde s GLU 105 Cb 0.05 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.79 2hde s GLU 105 CO -0.04 0.55 0.07 0.44 -0.54 0.00 0.00 175.26 175.75 2hde n ILE 106 N 0.61 0.00 0.00 -3.70 -6.64 -0.59 -4.96 119.36 104.08 2hde n ILE 106 Ca -0.11 -0.09 0.00 0.00 -1.77 0.00 0.00 62.75 60.78 2hde n ILE 106 Cb 0.52 0.45 0.00 0.00 -1.44 0.00 0.00 39.64 39.17 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 2.26 1.57 3.11 3.28 0.00 -1.17 -5.04 105.19 109.21 2hde n GLY 107 Ca -0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 1.53 0.00 1.61 1.04 -1.26 0.39 113.70 117.01 2hde s SER 108 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2hde s SER 108 Cb 0.00 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2hde s SER 108 CO 0.00 0.07 0.00 0.35 0.98 0.00 0.00 173.24 174.64 2hde n THR 109 N 2.24 0.00 -3.61 2.02 -2.24 0.57 -4.64 114.28 108.62 2hde n THR 109 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2hde n THR 109 Cb 0.55 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.76 2hde n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hde s MET 110 N -1.63 1.46 -0.32 -0.78 0.23 -1.26 -0.86 119.30 116.15 2hde s MET 110 Ca 0.00 -0.69 -0.29 0.00 -1.03 0.00 0.00 55.69 53.68 2hde s MET 110 Cb 0.00 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.89 2hde s MET 110 CO 0.00 -0.65 1.36 -1.54 -2.03 0.00 0.00 175.02 172.17 2hde s SER 111 N -2.82 6.56 0.00 -1.18 1.04 -0.35 -3.27 113.70 113.68 2hde s SER 111 Ca 0.05 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2hde s SER 111 Cb -0.03 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2hde s SER 111 CO -0.05 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.59 2hde n GLY 112 N 4.53 0.59 3.27 7.32 0.00 -1.26 -4.12 105.19 115.53 2hde n GLY 112 Ca 0.16 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.28 0.46 -0.48 1.61 6.06 -1.20 -5.08 118.95 118.03 2hde s ARG 113 Ca 0.00 0.51 -0.09 0.00 -2.50 0.00 0.00 55.73 53.65 2hde s ARG 113 Cb 0.00 0.22 0.12 0.00 0.06 0.00 0.00 34.95 35.36 2hde s ARG 113 CO 0.00 -0.06 0.35 0.21 -2.50 0.00 0.00 175.30 173.31 2hde s LYS 114 N 0.15 2.49 0.00 5.12 2.20 -1.26 -4.20 119.74 124.23 2hde s LYS 114 Ca -0.00 -1.82 0.00 0.00 -0.36 0.00 0.00 55.97 53.78 2hde s LYS 114 Cb -0.03 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.38 2hde s LYS 114 CO 0.01 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 2hde n GLY 115 N 4.81 -1.10 0.09 5.54 0.00 -1.26 -4.92 105.19 108.34 2hde n GLY 115 Ca -0.06 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.26 1.59 0.00 2.61 1.35 -1.98 -3.27 112.91 112.95 2hde h THR 116 Ca 0.00 -3.18 -0.15 0.00 -0.55 0.00 0.00 66.41 62.53 2hde h THR 116 Cb 0.00 2.88 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 2hde h THR 116 CO 0.00 0.92 -0.70 0.44 -0.25 0.00 0.00 175.52 175.93 2hde h ASP 117 N 0.05 0.00 -0.92 5.36 5.19 -1.94 -3.32 116.42 120.84 2hde h ASP 117 Ca -0.08 0.00 0.26 0.00 -0.62 0.00 0.00 57.03 56.60 2hde h ASP 117 Cb 1.86 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 41.22 2hde h ASP 117 CO 0.17 0.70 0.25 0.44 -3.12 0.00 0.00 179.24 177.68 2hde h ASP 118 N 0.00 -0.03 0.00 6.45 3.32 -1.83 1.25 116.42 125.58 2hde h ASP 118 Ca -0.01 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2hde h ASP 118 Cb 1.51 0.30 0.00 0.00 0.22 0.00 0.00 39.33 41.36 2hde h ASP 118 CO 0.09 -0.22 0.00 -1.20 -1.72 0.00 0.00 179.24 176.19 2hde n SER 119 N -5.27 0.00 -4.86 6.45 7.64 -1.25 -2.00 113.62 114.34 2hde n SER 119 Ca 0.24 -0.90 -0.32 0.00 1.01 0.00 0.00 58.87 58.90 2hde n SER 119 Cb 0.78 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 2hde n SER 119 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2hde s MET 120 N -2.00 3.93 0.12 1.43 0.00 0.43 -4.83 119.30 118.38 2hde s MET 120 Ca 0.43 0.64 0.04 0.00 0.00 0.00 0.00 55.69 56.80 2hde s MET 120 Cb 0.20 -2.38 -0.04 0.00 0.00 0.00 0.00 34.83 32.61 2hde s MET 120 CO 0.33 0.04 0.10 0.95 0.00 0.00 0.00 175.02 176.44 2hde s THR 121 N -2.18 4.44 0.16 10.11 -4.23 -1.26 0.12 115.64 122.79 2hde s THR 121 Ca 0.54 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.94 2hde s THR 121 Cb -0.10 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.56 2hde s THR 121 CO 0.23 0.01 1.80 -0.07 -0.54 0.00 0.00 174.62 176.05 2hde h LEU 122 N 2.89 0.38 -1.95 4.79 3.38 -1.14 -1.79 115.31 121.87 2hde h LEU 122 Ca -0.47 0.00 0.25 0.00 0.09 0.00 0.00 57.88 57.76 2hde h LEU 122 Cb 1.18 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2hde h LEU 122 CO 0.64 0.27 0.68 0.06 0.09 0.00 0.00 178.44 180.18 2hde h GLN 123 N 0.48 0.00 0.00 1.13 3.07 -1.73 0.90 115.11 118.96 2hde h GLN 123 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 2hde h GLN 123 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.57 2hde h GLN 123 CO -0.08 0.00 -0.18 0.77 0.09 0.00 0.00 178.83 179.43 2hde h SER 124 N 0.00 0.00 -0.39 0.06 0.02 -1.66 -3.21 113.55 108.37 2hde h SER 124 Ca 0.42 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2hde h SER 124 Cb 1.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.32 2hde h SER 124 CO -0.00 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2hde n GLN 125 N -2.69 2.24 -0.54 3.45 3.00 0.31 -4.89 117.38 118.26 2hde n GLN 125 Ca 0.04 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 2hde n GLN 125 Cb 0.49 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.27 2hde n GLN 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2hde n LYS 126 N 0.62 0.00 -1.40 -1.09 4.01 -1.18 -4.98 118.16 114.14 2hde n LYS 126 Ca 0.14 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.61 2hde n LYS 126 Cb 0.45 -3.09 0.09 0.00 -0.51 0.00 0.00 35.03 31.98 2hde n LYS 126 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 2hde s PHE 127 N -2.56 2.12 0.13 2.13 5.36 -1.21 -5.04 117.98 118.92 2hde s PHE 127 Ca 0.00 1.61 -0.10 0.00 -0.96 0.00 0.00 56.93 57.48 2hde s PHE 127 Cb 0.00 -3.39 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 2hde s PHE 127 CO 0.00 -2.43 0.27 -0.65 -1.46 0.00 0.00 175.22 170.95 2hde s GLN 128 N -4.07 1.03 0.14 10.12 1.11 -1.26 -4.60 119.66 122.14 2hde s GLN 128 Ca 0.72 -1.02 -0.31 0.00 0.01 0.00 0.00 55.36 54.75 2hde s GLN 128 Cb -0.26 0.38 -0.11 0.00 -1.01 0.00 0.00 33.01 32.01 2hde s GLN 128 CO 0.46 -0.37 1.82 -0.89 0.01 0.00 0.00 175.29 176.32 2hde n ILE 129 N -0.16 0.29 0.00 1.08 5.41 -1.26 -1.59 119.36 123.13 2hde n ILE 129 Ca -0.12 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2hde n ILE 129 Cb 0.63 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 4.18 1.78 3.80 7.39 0.00 -1.26 -5.07 105.19 116.00 2hde n GLY 130 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.52 5.91 -0.32 1.61 1.11 -0.62 -4.99 116.67 117.85 2hde s ASP 131 Ca 0.00 1.90 -0.19 0.00 0.18 0.00 0.00 52.55 54.44 2hde s ASP 131 Cb 0.00 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 2hde s ASP 131 CO 0.00 -1.08 0.56 -0.31 1.18 0.00 0.00 175.17 175.52 2hde s TYR 132 N -2.23 3.20 -0.23 4.23 1.51 -1.26 -4.57 117.35 118.00 2hde s TYR 132 Ca 0.66 0.43 -0.07 0.00 -1.01 0.00 0.00 57.07 57.08 2hde s TYR 132 Cb -0.17 -2.93 -0.03 0.00 -0.11 0.00 0.00 41.96 38.73 2hde s TYR 132 CO 0.31 -0.47 0.05 -0.51 -1.11 0.00 0.00 175.55 173.81 2hde s LEU 133 N 2.48 3.38 -0.32 -1.29 1.43 -1.14 -2.27 118.68 120.95 2hde s LEU 133 Ca 0.22 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2hde s LEU 133 Cb -0.15 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.20 2hde s LEU 133 CO 0.12 0.00 0.12 -0.62 0.23 0.00 0.00 176.35 176.20 2hde s ASP 134 N 1.39 5.32 -0.13 2.29 -1.08 0.21 -2.30 116.67 122.36 2hde s ASP 134 Ca 0.05 -0.83 -0.13 0.00 -0.52 0.00 0.00 52.55 51.12 2hde s ASP 134 Cb -0.15 -1.92 -0.05 0.00 -1.46 0.00 0.00 42.92 39.35 2hde s ASP 134 CO 0.02 -0.25 0.28 -0.63 0.52 0.00 0.00 175.17 175.11 2hde s ILE 135 N 1.50 5.29 -0.44 4.11 1.01 0.14 -2.26 121.20 130.56 2hde s ILE 135 Ca 0.02 0.54 -0.09 0.00 0.00 0.00 0.00 60.65 61.12 2hde s ILE 135 Cb -0.18 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.78 2hde s ILE 135 CO 0.04 0.45 0.29 0.00 0.00 0.00 0.00 174.94 175.72 2hde s ALA 136 N 0.01 3.32 -0.13 9.38 0.00 0.03 -2.52 121.76 131.85 2hde s ALA 136 Ca 0.17 -2.33 -0.22 0.00 0.00 0.00 0.00 51.96 49.58 2hde s ALA 136 Cb -0.13 -2.70 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2hde s ALA 136 CO 0.05 -1.76 0.66 0.42 0.00 0.00 0.00 175.76 175.13 2hde s ILE 137 N 1.38 5.04 -0.33 0.00 1.01 -0.21 -0.62 121.20 127.47 2hde s ILE 137 Ca 0.04 1.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.95 2hde s ILE 137 Cb -0.24 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.28 2hde s ILE 137 CO 0.01 0.19 0.07 -0.89 0.00 0.00 0.00 174.94 174.32 2hde s THR 138 N 1.31 3.55 0.51 2.92 2.01 0.14 -0.60 115.64 125.48 2hde s THR 138 Ca 0.33 -1.20 -0.22 0.00 0.31 0.00 0.00 61.69 60.91 2hde s THR 138 Cb -0.17 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 2hde s THR 138 CO 0.14 -0.15 1.21 -2.16 -0.69 0.00 0.00 174.62 172.97 2hde s PRO 139 N 1.36 3.46 0.28 4.92 0.04 -1.26 -1.69 135.00 142.11 2hde s PRO 139 Ca -0.03 1.88 0.26 0.00 0.04 0.00 0.00 61.00 63.15 2hde s PRO 139 Cb -0.20 -2.26 0.82 0.00 0.04 0.00 0.00 34.50 32.90 2hde s PRO 139 CO 0.02 -0.83 1.75 -1.00 0.04 0.00 0.00 177.00 176.98 2hde h PRO 140 N 1.66 0.00 0.00 0.56 0.13 -1.86 -3.06 132.00 129.43 2hde h PRO 140 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2hde h PRO 140 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2hde h PRO 140 CO 0.58 0.00 0.05 -2.95 -0.23 0.00 0.00 178.00 175.46 2hde h ASN 141 N 0.00 0.00 0.00 1.44 -0.00 -1.92 -3.17 115.58 111.93 2hde h ASN 141 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.28 2hde h ASN 141 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.00 2hde h ASN 141 CO 0.00 0.00 -1.06 0.54 -0.00 0.00 0.00 177.43 176.91 2hde n ARG 142 N -2.85 0.03 -1.11 4.14 5.12 -1.22 -5.08 116.66 115.70 2hde n ARG 142 Ca -0.02 0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.75 2hde n ARG 142 Cb 0.11 -0.93 0.10 0.00 -1.16 0.00 0.00 32.46 30.59 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hde n ALA 143 N -2.63 -0.69 -1.68 7.54 0.00 -1.16 -4.94 120.51 116.96 2hde n ALA 143 Ca -0.02 -0.94 -0.54 0.00 0.00 0.00 0.00 53.44 51.94 2hde n ALA 143 Cb 0.52 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.89 2hde n ALA 143 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hde n PRO 144 N -2.43 1.51 -2.67 0.00 -0.02 -1.26 -4.79 135.00 125.33 2hde n PRO 144 Ca 0.09 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 2hde n PRO 144 Cb 0.31 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 2hde n PRO 144 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2hde s PRO 145 N 3.98 4.36 0.01 0.52 0.04 -1.26 -4.87 135.00 137.79 2hde s PRO 145 Ca 0.98 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 63.20 2hde s PRO 145 Cb -0.92 -3.58 -0.20 0.00 0.04 0.00 0.00 34.50 29.84 2hde s PRO 145 CO 0.60 -0.43 1.17 -1.00 0.04 0.00 0.00 177.00 177.38 2hde h PRO 146 N 7.23 0.38 0.00 0.56 0.13 -1.91 -3.44 132.00 134.96 2hde h PRO 146 Ca -0.27 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2hde h PRO 146 Cb 1.12 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2hde h PRO 146 CO 0.90 0.97 -0.39 0.45 -0.23 0.00 0.00 178.00 179.70 2hde n SER 147 N -4.36 0.17 0.00 1.44 2.88 -1.26 -5.07 113.62 107.42 2hde n SER 147 Ca -0.09 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2hde n SER 147 Cb 0.55 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2hde n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hde n GLY 148 N 2.45 2.03 0.76 0.46 0.00 -1.26 -5.25 105.19 104.37 2hde n GLY 148 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.53 2hde n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36