#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 5.31 -3.90 1.61 3.41 -1.26 -4.99 113.62 113.80 2hde n SER 3 Ca 0.00 -3.67 -0.27 0.00 -0.26 0.00 0.00 58.87 54.67 2hde n SER 3 Cb 0.00 -0.75 -0.17 0.00 -0.26 0.00 0.00 64.21 63.03 2hde n SER 3 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2hde s HIS 4 N -3.65 1.53 -0.12 7.33 4.02 -1.26 -4.99 115.29 118.16 2hde s HIS 4 Ca 0.45 -0.84 -0.02 0.00 1.02 0.00 0.00 55.06 55.67 2hde s HIS 4 Cb 0.24 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.58 30.49 2hde s HIS 4 CO -0.12 -0.54 -0.13 -0.12 1.02 0.00 0.00 174.74 174.85 2hde n MET 5 N 4.93 0.27 -0.91 1.40 1.56 -1.26 -5.04 117.12 118.06 2hde n MET 5 Ca -0.12 0.09 -0.29 0.00 -0.27 0.00 0.00 57.70 57.10 2hde n MET 5 Cb 0.49 -1.10 0.23 0.00 2.15 0.00 0.00 33.22 35.00 2hde n MET 5 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2hde s ARG 6 N -2.23 -1.09 0.60 2.12 1.81 -1.26 -5.01 118.95 113.90 2hde s ARG 6 Ca -0.16 0.22 -0.14 0.00 -1.72 0.00 0.00 55.73 53.93 2hde s ARG 6 Cb 0.05 -1.59 -0.04 0.00 -0.45 0.00 0.00 34.95 32.93 2hde s ARG 6 CO 0.24 -3.68 1.04 0.08 -0.68 0.00 0.00 175.30 172.29 2hde s VAL 7 N -2.80 4.17 -0.29 3.52 1.01 -1.26 -5.07 120.40 119.68 2hde s VAL 7 Ca 0.69 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 2hde s VAL 7 Cb -0.15 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.81 2hde s VAL 7 CO 0.58 -0.74 0.75 0.28 0.00 0.00 0.00 175.10 175.97 2hde s THR 8 N -2.75 -0.41 -0.17 3.92 -1.32 -1.26 -5.05 115.64 108.60 2hde s THR 8 Ca 0.60 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.22 2hde s THR 8 Cb -0.13 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.19 2hde s THR 8 CO 0.43 0.00 1.23 0.00 -2.21 0.00 0.00 174.62 174.07 2hde n GLN 9 N 4.71 0.85 -3.87 7.08 0.00 -1.26 -5.08 117.38 119.81 2hde n GLN 9 Ca -0.16 -1.86 -0.36 0.00 0.00 0.00 0.00 57.00 54.63 2hde n GLN 9 Cb 0.55 -0.12 -0.13 0.00 0.00 0.00 0.00 30.24 30.53 2hde n GLN 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2hde s GLU 10 N -0.87 2.93 -0.03 2.61 0.41 -1.26 -5.08 118.70 117.41 2hde s GLU 10 Ca 0.16 -0.94 -0.14 0.00 -0.41 0.00 0.00 54.97 53.64 2hde s GLU 10 Cb 0.29 -3.17 0.02 0.00 -1.78 0.00 0.00 34.13 29.50 2hde s GLU 10 CO -0.08 -0.43 0.32 -1.21 -0.49 0.00 0.00 175.26 173.36 2hde s GLU 11 N 1.40 0.63 0.10 1.61 2.02 -1.26 -5.14 118.70 118.06 2hde s GLU 11 Ca 0.01 -0.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 2hde s GLU 11 Cb -0.17 0.28 -0.06 0.00 0.10 0.00 0.00 34.13 34.28 2hde s GLU 11 CO -0.01 -0.16 1.20 -1.50 0.02 0.00 0.00 175.26 174.80 2hde s ILE 12 N -1.12 3.89 -0.37 -1.63 2.07 -1.26 -4.96 121.20 117.83 2hde s ILE 12 Ca -0.12 1.42 0.13 0.00 -1.41 0.00 0.00 60.65 60.67 2hde s ILE 12 Cb -0.05 -3.91 0.38 0.00 0.13 0.00 0.00 42.46 39.02 2hde s ILE 12 CO 0.04 0.14 0.93 0.29 -1.91 0.00 0.00 174.94 174.43 2hde n LYS 13 N 3.54 1.06 -4.59 3.50 4.76 -1.26 -5.09 118.16 120.07 2hde n LYS 13 Ca 0.08 -2.95 -0.30 0.00 -2.87 0.00 0.00 58.31 52.26 2hde n LYS 13 Cb 0.46 -1.28 -0.17 0.00 -1.84 0.00 0.00 35.03 32.20 2hde n LYS 13 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2hde s LYS 14 N -1.96 2.59 -0.43 1.97 2.47 -1.26 -5.04 119.74 118.09 2hde s LYS 14 Ca 0.31 -0.70 0.08 0.00 -1.56 0.00 0.00 55.97 54.10 2hde s LYS 14 Cb 0.38 -2.13 0.27 0.00 -1.46 0.00 0.00 37.83 34.89 2hde s LYS 14 CO -0.04 -0.03 0.77 0.39 0.16 0.00 0.00 175.35 176.60 2hde n GLU 15 N 4.11 0.82 0.01 4.03 4.71 -1.26 -4.96 120.64 128.10 2hde n GLU 15 Ca -0.19 -2.56 -0.18 0.00 -0.01 0.00 0.00 57.16 54.21 2hde n GLU 15 Cb 0.51 -1.35 -0.11 0.00 -1.01 0.00 0.00 31.44 29.48 2hde n GLU 15 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2hde h PRO 16 N 3.69 0.44 0.00 3.49 0.13 -2.05 -3.43 132.00 134.27 2hde h PRO 16 Ca -0.02 -0.48 -0.12 0.00 -0.87 0.00 0.00 66.00 64.51 2hde h PRO 16 Cb 0.98 0.14 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 2hde h PRO 16 CO 0.37 1.14 -0.16 -1.91 -0.23 0.00 0.00 178.00 177.22 2hde n GLU 17 N -4.17 0.84 -3.55 0.86 2.13 -1.26 -5.09 120.64 110.39 2hde n GLU 17 Ca -0.11 -0.88 -0.41 0.00 0.66 0.00 0.00 57.16 56.43 2hde n GLU 17 Cb 0.71 0.21 -0.08 0.00 0.27 0.00 0.00 31.44 32.54 2hde n GLU 17 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2hde s LYS 18 N 0.09 2.61 0.00 5.31 2.36 -1.26 -5.08 119.74 123.77 2hde s LYS 18 Ca 0.07 -1.95 0.00 0.00 -2.55 0.00 0.00 55.97 51.55 2hde s LYS 18 Cb 0.28 -3.95 0.00 0.00 -1.05 0.00 0.00 37.83 33.10 2hde s LYS 18 CO -0.08 -1.20 0.00 -0.35 1.55 0.00 0.00 175.35 175.27 2hde n PRO 19 N 4.62 -0.38 -2.76 4.03 -0.04 -1.26 -5.03 135.00 134.18 2hde n PRO 19 Ca -0.03 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 2hde n PRO 19 Cb 0.41 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.98 4.22 -0.57 0.52 1.01 -1.26 -4.97 121.20 119.17 2hde s ILE 20 Ca 0.00 1.56 -0.27 0.00 0.00 0.00 0.00 60.65 61.94 2hde s ILE 20 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2hde s ILE 20 CO 0.00 -0.13 1.58 -1.81 0.00 0.00 0.00 174.94 174.59 2hde s ASP 21 N -1.92 5.83 0.56 3.58 1.01 -1.26 -4.85 116.67 119.63 2hde s ASP 21 Ca 0.58 0.32 0.41 0.00 0.71 0.00 0.00 52.55 54.57 2hde s ASP 21 Cb -0.14 -2.54 1.55 0.00 1.01 0.00 0.00 42.92 42.80 2hde s ASP 21 CO 0.18 -1.94 1.66 0.03 0.21 0.00 0.00 175.17 175.32 2hde h ARG 22 N 12.38 0.00 0.00 8.23 -0.00 -1.93 1.00 114.38 134.05 2hde h ARG 22 Ca -0.27 0.00 -0.40 0.00 -0.50 0.00 0.00 59.98 58.81 2hde h ARG 22 Cb 1.12 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.03 2hde h ARG 22 CO 1.19 0.00 -2.21 0.39 0.00 0.00 0.00 179.97 179.34 2hde n GLU 23 N -3.94 0.58 -0.70 0.04 1.02 -1.26 -4.45 120.64 111.93 2hde n GLU 23 Ca 0.32 0.33 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 2hde n GLU 23 Cb 1.55 -1.55 0.11 0.00 -0.02 0.00 0.00 31.44 31.54 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 -4.30 1.83 -1.55 3.49 5.02 -0.70 -4.95 118.16 116.99 2hde n LYS 24 Ca -0.48 -1.75 -0.31 0.00 -2.02 0.00 0.00 58.31 53.75 2hde n LYS 24 Cb 0.83 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.92 3.75 -0.12 -0.18 -1.32 0.34 -4.68 115.64 111.50 2hde s THR 25 Ca 0.33 0.57 -0.03 0.00 -1.21 0.00 0.00 61.69 61.34 2hde s THR 25 Cb 0.28 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.93 2hde s THR 25 CO 0.07 -0.74 0.01 -0.44 -2.21 0.00 0.00 174.62 171.31 2hde s SER 26 N -3.81 5.29 0.17 8.08 0.01 -1.26 -5.04 113.70 117.14 2hde s SER 26 Ca 0.59 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.65 2hde s SER 26 Cb -0.14 -1.65 -0.08 0.00 0.21 0.00 0.00 66.02 64.36 2hde s SER 26 CO 0.55 0.31 1.20 -2.16 0.41 0.00 0.00 173.24 173.55 2hde s PRO 27 N -0.45 4.48 -0.04 12.44 0.04 -1.26 -4.61 135.00 145.61 2hde s PRO 27 Ca 0.08 1.87 0.02 0.00 0.04 0.00 0.00 61.00 63.01 2hde s PRO 27 Cb -0.12 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2hde s PRO 27 CO 0.02 -0.12 -0.08 -0.48 0.04 0.00 0.00 177.00 176.38 2hde s LEU 28 N -0.03 1.65 -0.00 -3.56 0.05 0.90 -4.90 118.68 112.79 2hde s LEU 28 Ca 0.54 -0.19 -0.30 0.00 0.05 0.00 0.00 54.13 54.23 2hde s LEU 28 Cb -0.32 -0.57 -0.03 0.00 -2.05 0.00 0.00 46.19 43.22 2hde s LEU 28 CO 0.35 0.03 1.06 -0.22 -0.55 0.00 0.00 176.35 177.02 2hde s LEU 29 N 0.45 4.35 0.21 1.48 2.96 -1.26 -2.18 118.68 124.69 2hde s LEU 29 Ca -0.07 1.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.62 2hde s LEU 29 Cb -0.11 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2hde s LEU 29 CO 0.01 -0.37 -0.03 -1.48 -1.32 0.00 0.00 176.35 173.16 2hde s LEU 30 N 1.26 2.28 -0.08 -0.68 0.05 -1.07 -4.74 118.68 115.71 2hde s LEU 30 Ca 0.53 -1.17 -0.17 0.00 0.05 0.00 0.00 54.13 53.38 2hde s LEU 30 Cb -0.23 -0.31 -0.05 0.00 -2.05 0.00 0.00 46.19 43.55 2hde s LEU 30 CO 0.26 -0.46 0.43 -0.13 -0.55 0.00 0.00 176.35 175.91 2hde s ARG 31 N -3.83 4.20 -0.01 1.48 0.52 -1.26 -2.77 118.95 117.28 2hde s ARG 31 Ca 0.26 0.40 0.02 0.00 -0.52 0.00 0.00 55.73 55.89 2hde s ARG 31 Cb 0.05 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2hde s ARG 31 CO 0.07 0.34 -0.06 0.14 0.02 0.00 0.00 175.30 175.81 2hde s VAL 32 N 0.04 0.51 -0.41 3.52 -7.23 -0.68 -2.97 120.40 113.17 2hde s VAL 32 Ca 0.24 -0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 60.11 2hde s VAL 32 Cb -0.15 -0.46 0.09 0.00 0.56 0.00 0.00 36.38 36.42 2hde s VAL 32 CO 0.11 0.16 0.23 -0.36 -0.31 0.00 0.00 175.10 174.92 2hde s PHE 33 N 0.09 3.43 -0.26 2.82 0.40 -0.34 0.26 117.98 124.37 2hde s PHE 33 Ca -0.01 -1.92 -0.09 0.00 -0.60 0.00 0.00 56.93 54.32 2hde s PHE 33 Cb -0.05 -3.04 -0.04 0.00 0.51 0.00 0.00 43.02 40.40 2hde s PHE 33 CO -0.00 -0.91 0.12 0.95 0.70 0.00 0.00 175.22 176.08 2hde s THR 34 N 1.30 4.76 0.35 0.64 -4.23 -0.93 -0.29 115.64 117.24 2hde s THR 34 Ca 0.04 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.61 2hde s THR 34 Cb -0.23 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.35 2hde s THR 34 CO -0.01 0.31 0.31 0.28 -0.54 0.00 0.00 174.62 174.97 2hde s THR 35 N 1.56 3.41 -0.26 3.99 -1.32 -1.10 -4.71 115.64 117.22 2hde s THR 35 Ca 0.06 -1.36 0.12 0.00 -1.21 0.00 0.00 61.69 59.31 2hde s THR 35 Cb -0.15 -3.16 0.58 0.00 -1.51 0.00 0.00 72.50 68.26 2hde s THR 35 CO 0.06 -0.15 1.54 -3.20 -2.21 0.00 0.00 174.62 170.67 2hde n ASN 36 N -1.40 3.67 0.00 8.08 4.05 -1.26 -2.16 115.26 126.24 2hde n ASN 36 Ca -0.01 -3.32 0.00 0.00 0.45 0.00 0.00 54.58 51.70 2hde n ASN 36 Cb 0.60 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.98 2hde n ASN 36 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 2hde n ASN 37 N -0.65 0.13 -3.38 1.20 6.94 -0.49 -4.42 115.26 114.59 2hde n ASN 37 Ca 0.31 -0.45 -0.18 0.00 -0.02 0.00 0.00 54.58 54.25 2hde n ASN 37 Cb 1.08 0.33 0.07 0.00 -2.36 0.00 0.00 39.78 38.90 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hde n GLY 38 N 0.33 -0.88 2.69 4.83 0.00 0.31 -4.68 105.19 107.78 2hde n GLY 38 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.93 -0.06 -0.07 1.61 0.52 -1.26 -4.87 118.95 109.89 2hde s ARG 39 Ca 0.31 0.38 0.10 0.00 -0.52 0.00 0.00 55.73 56.01 2hde s ARG 39 Cb -0.05 -0.54 0.42 0.00 0.52 0.00 0.00 34.95 35.29 2hde s ARG 39 CO 0.76 -0.34 1.26 -2.39 0.02 0.00 0.00 175.30 174.60 2hde n HIS 40 N 5.30 0.87 0.00 -0.53 1.44 -1.26 -4.76 115.22 116.29 2hde n HIS 40 Ca -0.03 -0.34 0.00 0.00 -2.01 0.00 0.00 57.72 55.33 2hde n HIS 40 Cb 0.50 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 30.44 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 0.54 0.00 -3.62 -1.40 1.44 -1.26 -4.89 115.22 106.03 2hde n HIS 41 Ca 0.15 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.79 2hde n HIS 41 Cb 0.57 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.70 2hde n HIS 41 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2hde n ARG 42 N -0.68 0.78 0.22 -1.40 0.63 -1.26 -5.03 116.66 109.92 2hde n ARG 42 Ca 0.00 -1.66 0.06 0.00 -0.92 0.00 0.00 57.85 55.32 2hde n ARG 42 Cb 0.00 1.99 0.50 0.00 0.45 0.00 0.00 32.46 35.40 2hde n ARG 42 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 2hde h MET 43 N 0.00 0.00 -1.10 -0.14 2.86 -1.91 -2.52 114.93 112.13 2hde h MET 43 Ca -0.24 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.72 2hde h MET 43 Cb 0.89 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 2hde h MET 43 CO 0.30 0.22 0.86 0.22 1.06 0.00 0.00 176.91 179.56 2hde h ASP 44 N 0.00 0.00 0.46 1.22 3.58 -1.99 0.89 116.42 120.59 2hde h ASP 44 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 2hde h ASP 44 Cb 0.40 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2hde h ASP 44 CO 0.03 0.00 -1.69 -0.33 -2.88 0.00 0.00 179.24 174.36 2hde h GLU 45 N 0.00 0.06 -1.31 0.28 4.39 -1.87 -3.45 114.58 112.68 2hde h GLU 45 Ca 0.52 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 60.13 2hde h GLU 45 Cb 2.23 0.04 -0.24 0.00 -0.10 0.00 0.00 28.75 30.68 2hde h GLU 45 CO -0.01 0.69 -0.33 -0.59 -1.16 0.00 0.00 179.01 177.62 2hde s PHE 46 N -2.60 -1.36 0.00 4.33 -0.12 0.31 -5.11 117.98 113.43 2hde s PHE 46 Ca -0.08 1.47 0.00 0.00 -0.05 0.00 0.00 56.93 58.27 2hde s PHE 46 Cb 0.08 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 2hde s PHE 46 CO 0.82 -0.82 0.00 0.45 -0.05 0.00 0.00 175.22 175.62 2hde n SER 47 N 5.41 0.00 0.22 1.98 2.88 -0.93 -4.24 113.62 118.94 2hde n SER 47 Ca -0.02 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.64 2hde n SER 47 Cb 0.51 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.60 2hde n SER 47 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2hde h ARG 48 N 0.00 0.00 0.00 -1.46 2.43 -1.97 -3.44 114.38 109.95 2hde h ARG 48 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hde h ARG 48 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2hde h ARG 48 CO 0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 2hde n GLY 49 N -1.25 0.93 0.37 2.80 0.00 -1.26 -4.78 105.19 102.00 2hde n GLY 49 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2hde n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2hde h ASN 50 N 0.00 0.98 -3.41 1.61 4.21 -1.99 -3.43 115.58 113.55 2hde h ASN 50 Ca 0.00 -0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 2hde h ASN 50 Cb 0.00 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 36.97 2hde h ASN 50 CO 0.00 0.65 -0.06 0.68 -1.29 0.00 0.00 177.43 177.41 2hde s VAL 51 N -5.97 4.92 -0.56 2.81 -7.23 -1.26 -4.98 120.40 108.14 2hde s VAL 51 Ca -0.12 0.34 0.23 0.00 -1.81 0.00 0.00 61.98 60.62 2hde s VAL 51 Cb 0.19 -3.70 0.24 0.00 0.56 0.00 0.00 36.38 33.68 2hde s VAL 51 CO 0.80 -0.31 1.71 -0.81 -0.31 0.00 0.00 175.10 176.18 2hde n PRO 52 N -0.81 0.19 -0.64 4.82 -0.04 -1.26 -2.46 135.00 134.80 2hde n PRO 52 Ca 0.00 0.38 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 2hde n PRO 52 Cb 0.54 -1.83 0.34 0.00 -0.04 0.00 0.00 33.50 32.50 2hde n PRO 52 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hde n SER 53 N -2.18 4.75 0.00 3.54 2.88 -1.26 -4.68 113.62 116.66 2hde n SER 53 Ca 0.03 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.85 2hde n SER 53 Cb 0.25 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 2hde n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2hde n SER 54 N 0.51 0.00 -4.78 -3.46 7.64 -1.03 -4.77 113.62 107.73 2hde n SER 54 Ca 0.24 0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.84 2hde n SER 54 Cb 0.96 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 63.95 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2hde s GLU 55 N -0.30 3.01 0.20 1.43 4.04 -1.26 -2.18 118.70 123.64 2hde s GLU 55 Ca 0.00 -0.56 0.03 0.00 0.04 0.00 0.00 54.97 54.48 2hde s GLU 55 Cb 0.00 -2.81 -0.01 0.00 0.02 0.00 0.00 34.13 31.33 2hde s GLU 55 CO 0.00 0.61 0.10 1.47 -1.84 0.00 0.00 175.26 175.61 2hde n LEU 56 N 0.88 0.00 -4.10 1.83 -0.00 0.14 -4.93 117.00 110.81 2hde n LEU 56 Ca -0.11 -1.67 -0.22 0.00 -0.00 0.00 0.00 56.01 54.01 2hde n LEU 56 Cb 0.52 0.67 -0.15 0.00 -0.00 0.00 0.00 43.42 44.46 2hde n LEU 56 CO 0.41 -0.26 -0.47 -1.10 -0.00 0.00 0.00 177.39 175.96 2hde s GLN 57 N -2.79 1.18 -0.03 1.47 -1.52 -1.26 -1.69 119.66 115.02 2hde s GLN 57 Ca 0.15 -0.50 0.01 0.00 -1.95 0.00 0.00 55.36 53.06 2hde s GLN 57 Cb 0.01 -1.13 0.02 0.00 -0.22 0.00 0.00 33.01 31.69 2hde s GLN 57 CO 0.10 0.29 -0.02 0.96 -0.25 0.00 0.00 175.29 176.37 2hde s ILE 58 N -0.27 0.30 -1.21 1.08 -4.36 -1.11 -4.94 121.20 110.69 2hde s ILE 58 Ca 0.04 -0.02 -0.16 0.00 -0.26 0.00 0.00 60.65 60.24 2hde s ILE 58 Cb -0.06 -0.35 0.12 0.00 1.25 0.00 0.00 42.46 43.42 2hde s ILE 58 CO -0.00 0.16 1.53 -0.31 0.24 0.00 0.00 174.94 176.55 2hde s TYR 59 N 0.76 3.13 0.36 1.37 2.02 -1.26 -2.58 117.35 121.15 2hde s TYR 59 Ca -0.08 -1.80 0.02 0.00 -0.37 0.00 0.00 57.07 54.84 2hde s TYR 59 Cb -0.12 -4.51 0.02 0.00 -0.40 0.00 0.00 41.96 36.96 2hde s TYR 59 CO -0.01 -1.60 0.17 -2.37 -1.57 0.00 0.00 175.55 170.17 2hde n THR 60 N 5.52 0.00 -3.85 -0.71 5.66 -0.93 -4.62 114.28 115.35 2hde n THR 60 Ca 0.40 -1.55 -0.24 0.00 -3.05 0.00 0.00 64.05 59.61 2hde n THR 60 Cb 0.45 0.03 -0.17 0.00 -1.55 0.00 0.00 70.33 69.09 2hde n THR 60 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 2hde s TRP 61 N -2.02 1.02 0.23 1.09 -2.14 -1.26 -0.07 118.94 115.79 2hde s TRP 61 Ca 0.13 -0.41 0.18 0.00 2.66 0.00 0.00 56.10 58.65 2hde s TRP 61 Cb -0.01 -0.98 0.78 0.00 -3.10 0.00 0.00 33.47 30.16 2hde s TRP 61 CO 0.08 -0.40 0.80 -1.33 -2.66 0.00 0.00 176.95 173.44 2hde n MET 62 N 5.01 -0.02 -0.67 3.25 2.81 -1.26 0.25 117.12 126.50 2hde n MET 62 Ca -0.10 0.64 -0.13 0.00 -1.81 0.00 0.00 57.70 56.30 2hde n MET 62 Cb 0.50 -1.28 0.10 0.00 -0.71 0.00 0.00 33.22 31.83 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 -3.63 3.41 -4.85 7.83 9.92 -1.26 -0.31 116.55 127.67 2hde n ASP 63 Ca 0.21 -2.87 -0.35 0.00 -0.53 0.00 0.00 54.79 51.25 2hde n ASP 63 Cb 0.83 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 40.57 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 -1.80 3.61 0.48 2.24 0.00 0.71 -4.73 121.76 122.27 2hde s ALA 64 Ca 0.31 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 2hde s ALA 64 Cb 0.26 -2.47 -0.09 0.00 0.00 0.00 0.00 23.12 20.82 2hde s ALA 64 CO 0.06 0.48 0.97 0.95 0.00 0.00 0.00 175.76 178.22 2hde s THR 65 N -1.44 4.47 0.52 0.00 -4.23 -1.26 -0.15 115.64 113.55 2hde s THR 65 Ca 0.37 1.33 0.39 0.00 -1.18 0.00 0.00 61.69 62.59 2hde s THR 65 Cb -0.15 -3.67 0.59 0.00 1.34 0.00 0.00 72.50 70.62 2hde s THR 65 CO 0.19 -0.54 1.71 -0.07 -0.54 0.00 0.00 174.62 175.37 2hde h LEU 66 N 1.32 0.07 0.54 4.79 -0.00 0.12 0.16 115.31 122.31 2hde h LEU 66 Ca -0.48 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.40 2hde h LEU 66 Cb 1.18 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2hde h LEU 66 CO 0.61 -0.02 -0.26 0.50 -0.00 0.00 0.00 178.44 179.28 2hde h LYS 67 N 0.04 -0.69 -0.96 1.13 3.11 -1.74 -2.16 116.57 115.30 2hde h LYS 67 Ca 0.72 0.05 0.22 0.00 -2.81 0.00 0.00 60.65 58.82 2hde h LYS 67 Cb 2.73 0.16 -0.12 0.00 -1.00 0.00 0.00 32.23 34.00 2hde h LYS 67 CO -0.08 -0.44 0.53 0.93 -2.81 0.00 0.00 179.45 177.58 2hde h GLU 68 N -0.77 0.57 0.00 1.90 4.39 -1.01 0.79 114.58 120.45 2hde h GLU 68 Ca -0.07 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2hde h GLU 68 Cb 0.57 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2hde h GLU 68 CO 0.12 0.37 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.07 2hde h LEU 69 N 0.58 0.00 -0.96 1.33 -0.00 -1.34 -1.30 115.31 113.63 2hde h LEU 69 Ca 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.38 2hde h LEU 69 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 2hde h LEU 69 CO -0.46 0.20 -0.23 0.74 -0.00 0.00 0.00 178.44 178.70 2hde h THR 70 N 0.00 1.26 0.12 0.22 2.02 0.13 -2.34 112.91 114.32 2hde h THR 70 Ca -0.00 -1.23 -0.20 0.00 0.77 0.00 0.00 66.41 65.75 2hde h THR 70 Cb 0.49 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2hde h THR 70 CO 0.03 0.39 -0.93 0.77 0.37 0.00 0.00 175.52 176.15 2hde h SER 71 N 0.44 0.41 -0.51 4.18 4.64 -1.15 -2.93 113.55 118.62 2hde h SER 71 Ca 0.07 -0.92 0.10 0.00 -0.47 0.00 0.00 61.79 60.57 2hde h SER 71 Cb 0.64 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.49 2hde h SER 71 CO 0.05 1.43 -0.29 -0.07 -0.87 0.00 0.00 176.83 177.08 2hde h LEU 72 N -0.41 -1.00 -0.71 5.97 3.38 -1.22 0.39 115.31 121.71 2hde h LEU 72 Ca -0.18 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2hde h LEU 72 Cb 1.63 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 42.85 2hde h LEU 72 CO 0.11 -0.29 0.35 0.58 0.09 0.00 0.00 178.44 179.28 2hde h VAL 73 N -0.17 1.23 -0.65 1.22 2.07 -1.55 -2.66 116.25 115.74 2hde h VAL 73 Ca 0.22 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.16 2hde h VAL 73 Cb 0.52 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2hde h VAL 73 CO -0.61 0.27 0.35 0.11 0.02 0.00 0.00 177.57 177.71 2hde h LYS 74 N 0.99 0.62 0.00 1.57 6.56 -0.52 0.58 116.57 126.38 2hde h LYS 74 Ca 0.25 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 2hde h LYS 74 Cb 0.10 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.62 2hde h LYS 74 CO -0.03 0.41 -0.11 0.93 -2.06 0.00 0.00 179.45 178.59 2hde h GLU 75 N 0.64 0.00 -0.52 3.15 3.07 -0.05 -1.51 114.58 119.36 2hde h GLU 75 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2hde h GLU 75 Cb 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 2hde h GLU 75 CO -0.20 0.11 0.00 0.28 -1.40 0.00 0.00 179.01 177.80 2hde n VAL 76 N -4.23 0.85 -3.42 3.13 0.31 -0.11 -4.86 118.33 110.00 2hde n VAL 76 Ca -0.03 -0.93 -0.12 0.00 -0.01 0.00 0.00 64.34 63.26 2hde n VAL 76 Cb 0.18 0.63 -0.10 0.00 -0.91 0.00 0.00 33.84 33.65 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 -1.09 -0.67 0.05 3.52 6.14 0.19 -5.04 117.35 120.45 2hde s TYR 77 Ca 0.38 0.72 -0.17 0.00 0.64 0.00 0.00 57.07 58.63 2hde s TYR 77 Cb 0.20 -0.06 -0.17 0.00 0.42 0.00 0.00 41.96 42.35 2hde s TYR 77 CO 0.27 -0.66 1.25 -1.00 0.64 0.00 0.00 175.55 176.05 2hde h PRO 78 N 8.22 0.54 0.00 4.97 0.13 -1.87 -3.14 132.00 140.85 2hde h PRO 78 Ca -0.18 -0.42 -0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2hde h PRO 78 Cb 1.15 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2hde h PRO 78 CO 0.26 1.04 -0.00 1.49 -0.23 0.00 0.00 178.00 180.56 2hde h GLU 79 N 0.15 0.00 0.01 0.86 4.57 -1.96 -1.54 114.58 116.67 2hde h GLU 79 Ca -0.03 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.92 2hde h GLU 79 Cb 1.12 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 2hde h GLU 79 CO 0.10 0.00 -1.19 0.00 -1.18 0.00 0.00 179.01 176.74 2hde h ALA 80 N 2.00 0.43 -0.06 2.92 0.00 -1.90 -3.28 119.26 119.37 2hde h ALA 80 Ca -0.00 -1.04 0.02 0.00 0.00 0.00 0.00 54.91 53.89 2hde h ALA 80 Cb 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2hde h ALA 80 CO 0.00 1.31 0.27 -0.09 0.00 0.00 0.00 179.25 180.74 2hde h ARG 81 N 0.01 0.00 -6.55 0.00 9.65 -1.29 -3.43 114.38 112.76 2hde h ARG 81 Ca -0.09 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.21 2hde h ARG 81 Cb 1.84 0.00 0.07 0.00 -1.39 0.00 0.00 29.97 30.49 2hde h ARG 81 CO 0.12 0.00 0.72 1.63 2.80 0.00 0.00 179.97 185.24 2hde n LYS 82 N -3.11 2.12 -2.12 0.20 4.01 -1.24 -4.91 118.16 113.11 2hde n LYS 82 Ca -0.01 0.76 -0.41 0.00 -0.51 0.00 0.00 58.31 58.14 2hde n LYS 82 Cb 0.34 -2.48 -0.03 0.00 -0.51 0.00 0.00 35.03 32.35 2hde n LYS 82 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2hde s LYS 83 N 0.27 4.34 0.00 1.97 2.36 -1.26 -2.87 119.74 124.55 2hde s LYS 83 Ca 0.73 2.18 0.00 0.00 -2.55 0.00 0.00 55.97 56.33 2hde s LYS 83 Cb -0.66 -3.13 0.00 0.00 -1.05 0.00 0.00 37.83 32.99 2hde s LYS 83 CO 0.43 -0.28 0.00 0.41 1.55 0.00 0.00 175.35 177.46 2hde n GLY 84 N 1.86 0.76 3.68 5.54 0.00 -1.26 -4.88 105.19 110.89 2hde n GLY 84 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 4.50 -0.36 2.61 2.01 -1.14 -4.42 115.64 116.59 2hde s THR 85 Ca 0.00 1.80 -0.12 0.00 0.31 0.00 0.00 61.69 63.68 2hde s THR 85 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2hde s THR 85 CO 0.00 -0.06 0.23 -2.28 -0.69 0.00 0.00 174.62 171.82 2hde s HIS 86 N 2.60 3.22 -0.11 4.92 2.46 -0.78 -2.38 115.29 125.22 2hde s HIS 86 Ca 0.51 -0.56 0.01 0.00 0.47 0.00 0.00 55.06 55.49 2hde s HIS 86 Cb -0.20 -2.47 -0.02 0.00 -0.13 0.00 0.00 32.58 29.76 2hde s HIS 86 CO 0.16 -0.51 -0.13 -0.59 -2.47 0.00 0.00 174.74 171.20 2hde s PHE 87 N 1.65 2.79 -0.25 3.88 -0.12 -0.91 0.33 117.98 125.35 2hde s PHE 87 Ca 0.05 -0.49 -0.09 0.00 -0.05 0.00 0.00 56.93 56.34 2hde s PHE 87 Cb -0.18 -1.78 -0.04 0.00 -0.63 0.00 0.00 43.02 40.38 2hde s PHE 87 CO 0.09 -0.09 0.13 -0.80 -0.05 0.00 0.00 175.22 174.49 2hde s ASN 88 N 0.03 5.69 -0.13 1.98 0.01 0.11 -1.22 114.94 121.41 2hde s ASN 88 Ca -0.04 -0.04 -0.22 0.00 -0.71 0.00 0.00 52.86 51.84 2hde s ASN 88 Cb -0.14 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 2hde s ASN 88 CO 0.04 0.00 0.67 -0.36 -1.51 0.00 0.00 177.10 175.95 2hde s PHE 89 N 1.41 3.49 0.24 2.20 0.40 0.17 -0.92 117.98 124.97 2hde s PHE 89 Ca 0.06 1.11 -0.09 0.00 -0.60 0.00 0.00 56.93 57.41 2hde s PHE 89 Cb -0.15 -2.80 -0.01 0.00 0.51 0.00 0.00 43.02 40.57 2hde s PHE 89 CO 0.06 -0.03 0.38 0.00 0.70 0.00 0.00 175.22 176.34 2hde s ALA 90 N 1.30 0.21 -0.23 5.36 0.00 -0.89 -0.71 121.76 126.81 2hde s ALA 90 Ca 0.34 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2hde s ALA 90 Cb -0.17 1.16 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2hde s ALA 90 CO 0.14 -0.78 -0.12 0.42 0.00 0.00 0.00 175.76 175.42 2hde s ILE 91 N -3.99 2.38 -0.01 0.00 1.01 0.43 0.27 121.20 121.27 2hde s ILE 91 Ca 0.28 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2hde s ILE 91 Cb 0.01 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.29 2hde s ILE 91 CO 0.11 0.24 -0.07 0.54 0.00 0.00 0.00 174.94 175.76 2hde s VAL 92 N 1.24 0.56 0.16 2.92 0.11 -0.92 -2.66 120.40 121.81 2hde s VAL 92 Ca -0.01 -0.26 0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2hde s VAL 92 Cb -0.16 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2hde s VAL 92 CO -0.08 0.18 0.01 0.72 -3.33 0.00 0.00 175.10 172.60 2hde s PHE 93 N 0.09 2.91 -0.42 1.54 -0.12 -1.26 -4.55 117.98 116.17 2hde s PHE 93 Ca -0.01 -0.10 -0.29 0.00 -0.05 0.00 0.00 56.93 56.48 2hde s PHE 93 Cb -0.06 -1.43 0.02 0.00 -0.63 0.00 0.00 43.02 40.93 2hde s PHE 93 CO -0.00 0.51 1.25 0.99 -0.05 0.00 0.00 175.22 177.92 2hde s THR 94 N -1.64 4.11 0.22 -4.49 2.01 -1.26 -4.95 115.64 109.65 2hde s THR 94 Ca 0.27 1.17 -0.30 0.00 0.31 0.00 0.00 61.69 63.14 2hde s THR 94 Cb -0.10 -4.39 -0.08 0.00 0.01 0.00 0.00 72.50 67.94 2hde s THR 94 CO 0.19 -0.81 1.02 -1.81 -0.69 0.00 0.00 174.62 172.52 2hde s ASP 95 N 2.96 7.44 0.04 3.53 1.01 -1.26 -4.88 116.67 125.51 2hde s ASP 95 Ca 0.54 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.84 2hde s ASP 95 Cb -0.11 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2hde s ASP 95 CO 0.30 -0.04 0.00 1.33 0.21 0.00 0.00 175.17 176.97 2hde n VAL 96 N 1.80 0.00 -0.04 -1.27 0.24 -1.26 -5.01 118.33 112.79 2hde n VAL 96 Ca -0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2hde n VAL 96 Cb 0.47 -0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 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 -2.61 0.99 -3.74 7.34 -0.00 -1.26 -4.97 118.16 113.91 2hde n LYS 97 Ca 0.00 0.03 -0.37 0.00 -0.00 0.00 0.00 58.31 57.98 2hde n LYS 97 Cb 0.00 -1.17 -0.11 0.00 -0.00 0.00 0.00 35.03 33.74 2hde n LYS 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2hde s ARG 98 N -2.17 3.84 0.00 -1.58 6.06 -1.26 -5.06 118.95 118.78 2hde s ARG 98 Ca -0.09 -0.38 0.00 0.00 -2.50 0.00 0.00 55.73 52.75 2hde s ARG 98 Cb 0.03 -3.43 0.00 0.00 0.06 0.00 0.00 34.95 31.61 2hde s ARG 98 CO 0.22 -0.08 0.00 -0.35 -2.50 0.00 0.00 175.30 172.59 2hde n PRO 99 N 4.65 0.00 -2.86 5.12 -0.04 -1.26 -4.82 135.00 135.80 2hde n PRO 99 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 2hde n PRO 99 Cb 0.52 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.00 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 3.39 -0.47 3.59 0.55 0.00 -1.26 -4.89 105.19 106.10 2hde n GLY 100 Ca 0.00 0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.61 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 1.35 -2.58 1.61 4.11 -1.26 -4.87 117.16 111.14 2hde n TYR 101 Ca -0.14 0.66 -0.01 0.00 -0.00 0.00 0.00 57.90 58.41 2hde n TYR 101 Cb 0.63 -2.29 0.04 0.00 -0.00 0.00 0.00 39.34 37.73 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 1.56 0.50 -2.75 -3.48 1.74 -1.26 -5.14 116.66 107.82 2hde n ARG 102 Ca 0.14 -0.53 -0.41 0.00 -0.77 0.00 0.00 57.85 56.27 2hde n ARG 102 Cb 0.27 0.13 -0.04 0.00 -1.02 0.00 0.00 32.46 31.79 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 0.05 4.51 0.17 1.55 0.11 -1.26 -4.95 120.40 120.59 2hde s VAL 103 Ca 0.04 2.03 -0.21 0.00 -2.93 0.00 0.00 61.98 60.91 2hde s VAL 103 Cb 0.16 -4.30 0.05 0.00 -1.53 0.00 0.00 36.38 30.76 2hde s VAL 103 CO -0.05 0.33 0.57 -0.54 -3.33 0.00 0.00 175.10 172.08 2hde s LYS 104 N -0.03 1.31 0.05 1.54 3.01 -1.09 -4.98 119.74 119.55 2hde s LYS 104 Ca 0.46 -0.61 -0.02 0.00 -1.01 0.00 0.00 55.97 54.79 2hde s LYS 104 Cb -0.23 0.56 -0.04 0.00 -1.01 0.00 0.00 37.83 37.11 2hde s LYS 104 CO 0.29 -0.56 0.23 -2.00 0.51 0.00 0.00 175.35 173.82 2hde s GLU 105 N -3.79 3.48 -0.01 1.68 -6.30 -1.26 -0.43 118.70 112.07 2hde s GLU 105 Ca 0.03 -0.32 0.05 0.00 -2.50 0.00 0.00 54.97 52.23 2hde s GLU 105 Cb -0.01 -3.03 -0.08 0.00 0.00 0.00 0.00 34.13 31.01 2hde s GLU 105 CO -0.10 0.61 0.10 0.44 0.02 0.00 0.00 175.26 176.34 2hde n ILE 106 N 0.51 0.02 0.00 -3.70 -6.64 0.11 -4.95 119.36 104.71 2hde n ILE 106 Ca -0.07 -0.12 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 2hde n ILE 106 Cb 0.52 0.32 0.00 0.00 -1.44 0.00 0.00 39.64 39.04 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 2.24 1.85 3.13 3.28 0.00 -1.17 -5.02 105.19 109.51 2hde n GLY 107 Ca -0.01 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 2hde n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hde s SER 108 N 0.00 1.74 0.00 1.61 1.04 -1.26 0.46 113.70 117.29 2hde s SER 108 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2hde s SER 108 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2hde s SER 108 CO 0.00 0.16 0.00 0.35 0.98 0.00 0.00 173.24 174.73 2hde n THR 109 N 2.56 0.00 -4.05 2.02 -2.24 -0.36 -4.53 114.28 107.68 2hde n THR 109 Ca -0.15 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2hde n THR 109 Cb 0.55 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.73 1.17 -1.38 -0.78 -1.94 -1.25 -2.14 119.30 111.26 2hde s MET 110 Ca 0.00 -1.33 -0.16 0.00 -1.71 0.00 0.00 55.69 52.49 2hde s MET 110 Cb 0.00 0.34 0.05 0.00 2.01 0.00 0.00 34.83 37.23 2hde s MET 110 CO 0.00 -0.41 2.04 0.43 -0.01 0.00 0.00 175.02 177.06 2hde n SER 111 N -0.22 4.23 0.00 3.03 7.64 -1.00 -3.60 113.62 123.69 2hde n SER 111 Ca -0.04 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 56.97 2hde n SER 111 Cb 0.64 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 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 4.61 1.06 3.10 0.23 0.00 -1.26 -4.08 105.19 108.86 2hde n GLY 112 Ca 0.51 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.45 2.79 -0.76 1.61 6.06 -1.24 -5.06 118.95 121.90 2hde s ARG 113 Ca 0.00 -0.76 -0.26 0.00 -2.50 0.00 0.00 55.73 52.22 2hde s ARG 113 Cb 0.00 -2.39 -0.04 0.00 0.06 0.00 0.00 34.95 32.58 2hde s ARG 113 CO 0.00 -0.17 1.92 0.15 -2.50 0.00 0.00 175.30 174.70 2hde s LYS 114 N 1.22 2.57 0.00 5.12 3.01 -1.26 -3.76 119.74 126.64 2hde s LYS 114 Ca 0.02 0.17 0.00 0.00 -1.01 0.00 0.00 55.97 55.15 2hde s LYS 114 Cb -0.14 -4.73 0.00 0.00 -1.01 0.00 0.00 37.83 31.95 2hde s LYS 114 CO -0.09 -3.08 0.00 0.41 0.51 0.00 0.00 175.35 173.10 2hde n GLY 115 N 6.29 -2.40 0.09 -3.33 0.00 -1.26 -4.95 105.19 99.62 2hde n GLY 115 Ca 0.31 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.35 0.85 0.00 2.61 1.35 -1.93 -3.34 112.91 111.10 2hde h THR 116 Ca 0.00 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 2hde h THR 116 Cb 0.00 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2hde h THR 116 CO 0.00 0.48 -0.85 0.47 -0.25 0.00 0.00 175.52 175.37 2hde n ASP 117 N -3.06 0.85 -0.34 5.36 9.92 -1.26 -4.38 116.55 123.65 2hde n ASP 117 Ca -0.09 -0.78 0.20 0.00 -0.53 0.00 0.00 54.79 53.59 2hde n ASP 117 Cb 0.91 0.78 0.44 0.00 -0.64 0.00 0.00 41.12 42.61 2hde n ASP 117 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2hde h ASP 118 N 0.00 0.58 0.86 -2.24 2.03 -1.83 0.96 116.42 116.78 2hde h ASP 118 Ca 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2hde h ASP 118 Cb 0.50 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2hde h ASP 118 CO 0.00 0.08 0.00 -1.20 -1.03 0.00 0.00 179.24 177.09 2hde n SER 119 N -4.80 0.03 -4.85 4.15 7.64 -1.26 -2.31 113.62 112.22 2hde n SER 119 Ca 0.27 0.50 -0.31 0.00 1.01 0.00 0.00 58.87 60.34 2hde n SER 119 Cb 0.82 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 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 -3.01 3.49 0.25 1.43 1.75 0.33 -4.79 119.30 118.75 2hde s MET 120 Ca 0.12 0.88 0.09 0.00 -1.25 0.00 0.00 55.69 55.53 2hde s MET 120 Cb 0.16 -2.07 -0.04 0.00 2.84 0.00 0.00 34.83 35.72 2hde s MET 120 CO 0.45 -0.65 -0.01 0.95 -0.65 0.00 0.00 175.02 175.11 2hde s THR 121 N -2.97 3.49 0.10 10.11 -4.23 -1.26 0.11 115.64 120.98 2hde s THR 121 Ca 0.57 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 2hde s THR 121 Cb -0.12 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.78 2hde s THR 121 CO 0.48 -0.32 1.69 -0.07 -0.54 0.00 0.00 174.62 175.86 2hde h LEU 122 N 2.06 0.18 -1.00 4.79 3.38 -0.55 -2.88 115.31 121.28 2hde h LEU 122 Ca -0.45 -0.09 0.34 0.00 0.09 0.00 0.00 57.88 57.78 2hde h LEU 122 Cb 1.24 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.79 2hde h LEU 122 CO 0.59 0.21 0.56 -0.61 0.09 0.00 0.00 178.44 179.29 2hde h GLN 123 N 0.13 0.26 0.00 1.13 4.15 -0.93 1.38 115.11 121.23 2hde h GLN 123 Ca 0.05 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2hde h GLN 123 Cb 0.07 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2hde h GLN 123 CO -0.01 0.17 0.00 0.66 -1.93 0.00 0.00 178.83 177.72 2hde h SER 124 N 0.27 0.00 -0.14 -0.69 4.64 -1.82 -2.86 113.55 112.95 2hde h SER 124 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 2hde h SER 124 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2hde h SER 124 CO -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.32 2hde n GLN 125 N -2.42 1.54 -0.90 4.77 1.13 0.47 -4.89 117.38 117.08 2hde n GLN 125 Ca 0.03 -0.81 0.00 0.00 -1.94 0.00 0.00 57.00 54.28 2hde n GLN 125 Cb 0.34 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.34 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 0.05 -0.35 -2.25 -1.09 5.02 -1.08 -4.99 118.16 113.47 2hde n LYS 126 Ca 0.15 0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 2hde n LYS 126 Cb 0.25 -3.49 -0.00 0.00 -0.02 0.00 0.00 35.03 31.78 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 -2.29 2.72 0.25 2.13 5.36 -1.24 -5.05 117.98 119.87 2hde s PHE 127 Ca 0.00 1.54 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 2hde s PHE 127 Cb 0.00 -3.33 -0.05 0.00 -0.34 0.00 0.00 43.02 39.30 2hde s PHE 127 CO 0.00 -1.58 0.10 -0.65 -1.46 0.00 0.00 175.22 171.63 2hde s GLN 128 N -3.09 1.39 -0.12 10.12 -0.21 -1.26 -4.67 119.66 121.82 2hde s GLN 128 Ca 0.70 -1.75 -0.29 0.00 0.02 0.00 0.00 55.36 54.04 2hde s GLN 128 Cb -0.26 -0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.51 2hde s GLN 128 CO 0.30 -0.31 1.69 0.42 -2.12 0.00 0.00 175.29 175.27 2hde s ILE 129 N -3.80 3.56 0.00 1.08 1.01 -1.26 -1.82 121.20 119.96 2hde s ILE 129 Ca 0.38 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2hde s ILE 129 Cb 0.08 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2hde s ILE 129 CO 0.14 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2hde n GLY 130 N 4.45 0.82 3.69 6.18 0.00 -1.26 -5.08 105.19 113.99 2hde n GLY 130 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.83 3.30 -0.41 1.61 1.11 -0.76 -4.82 116.67 114.87 2hde s ASP 131 Ca 0.00 1.81 -0.18 0.00 0.18 0.00 0.00 52.55 54.36 2hde s ASP 131 Cb 0.00 -2.41 0.02 0.00 1.07 0.00 0.00 42.92 41.59 2hde s ASP 131 CO 0.00 -2.80 0.47 -0.31 1.18 0.00 0.00 175.17 173.71 2hde s TYR 132 N -2.78 3.16 -0.25 4.23 1.51 -1.26 -4.33 117.35 117.62 2hde s TYR 132 Ca 0.64 -0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 56.39 2hde s TYR 132 Cb -0.20 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 2hde s TYR 132 CO 0.58 -0.69 0.06 -0.51 -1.11 0.00 0.00 175.55 173.87 2hde s LEU 133 N 2.27 3.44 -0.38 -1.29 1.43 -1.16 -2.16 118.68 120.84 2hde s LEU 133 Ca 0.14 -0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 2hde s LEU 133 Cb -0.16 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2hde s LEU 133 CO 0.14 -0.06 0.22 -0.62 0.23 0.00 0.00 176.35 176.26 2hde s ASP 134 N 1.58 5.79 -0.66 2.29 -1.08 0.14 -1.20 116.67 123.52 2hde s ASP 134 Ca 0.06 -0.94 -0.19 0.00 -0.52 0.00 0.00 52.55 50.96 2hde s ASP 134 Cb -0.15 -2.05 0.11 0.00 -1.46 0.00 0.00 42.92 39.37 2hde s ASP 134 CO 0.02 -0.38 0.81 -0.63 0.52 0.00 0.00 175.17 175.51 2hde s ILE 135 N 1.58 4.78 -0.65 4.11 1.01 0.60 -2.10 121.20 130.54 2hde s ILE 135 Ca 0.03 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.33 2hde s ILE 135 Cb -0.19 -4.56 0.02 0.00 0.01 0.00 0.00 42.46 37.74 2hde s ILE 135 CO 0.07 -1.23 1.39 0.00 0.00 0.00 0.00 174.94 175.17 2hde s ALA 136 N 2.73 2.72 -0.11 9.38 0.00 -0.10 -2.72 121.76 133.66 2hde s ALA 136 Ca 0.16 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.91 2hde s ALA 136 Cb -0.19 -4.19 -0.04 0.00 0.00 0.00 0.00 23.12 18.70 2hde s ALA 136 CO 0.04 -3.19 0.62 0.42 0.00 0.00 0.00 175.76 173.65 2hde s ILE 137 N 6.19 5.08 -0.29 0.00 1.01 -0.92 0.07 121.20 132.34 2hde s ILE 137 Ca 0.45 1.25 -0.02 0.00 0.00 0.00 0.00 60.65 62.33 2hde s ILE 137 Cb -0.09 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.47 2hde s ILE 137 CO 0.20 0.24 -0.02 -0.89 0.00 0.00 0.00 174.94 174.48 2hde s THR 138 N 0.99 2.95 0.65 2.92 2.01 0.15 0.11 115.64 125.43 2hde s THR 138 Ca 0.32 -1.31 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 2hde s THR 138 Cb -0.16 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.69 2hde s THR 138 CO 0.14 -0.04 1.17 -2.16 -0.69 0.00 0.00 174.62 173.04 2hde s PRO 139 N 1.27 2.70 0.34 4.92 0.04 -1.26 -1.87 135.00 141.13 2hde s PRO 139 Ca -0.04 1.65 0.18 0.00 0.04 0.00 0.00 61.00 62.82 2hde s PRO 139 Cb -0.19 -1.91 0.42 0.00 0.04 0.00 0.00 34.50 32.85 2hde s PRO 139 CO -0.02 -1.38 1.61 -1.00 0.04 0.00 0.00 177.00 176.25 2hde h PRO 140 N 0.29 0.00 0.00 0.56 0.13 -1.90 -1.49 132.00 129.59 2hde h PRO 140 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2hde h PRO 140 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2hde h PRO 140 CO 0.53 0.41 -0.06 -2.95 -0.23 0.00 0.00 178.00 175.70 2hde h ASN 141 N 0.00 0.00 0.00 1.44 7.08 -1.95 -3.18 115.58 118.97 2hde h ASN 141 Ca -0.00 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 52.99 2hde h ASN 141 Cb 1.11 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.31 2hde h ASN 141 CO 0.05 0.06 -1.83 0.54 -2.08 0.00 0.00 177.43 174.17 2hde n ARG 142 N -3.23 1.85 -1.55 4.14 3.00 -1.18 -4.95 116.66 114.74 2hde n ARG 142 Ca -0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 2hde n ARG 142 Cb 0.29 -1.31 -0.04 0.00 0.00 0.00 0.00 32.46 31.40 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hde n ALA 143 N -2.50 1.43 -1.80 7.54 0.00 -0.57 -4.88 120.51 119.72 2hde n ALA 143 Ca -0.20 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2hde n ALA 143 Cb 0.88 -2.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 2hde n ALA 143 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2hde s PRO 144 N 6.76 3.37 1.02 0.00 0.02 -1.26 -4.93 135.00 139.98 2hde s PRO 144 Ca 1.03 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 63.78 2hde s PRO 144 Cb -0.44 -4.25 0.20 0.00 0.02 0.00 0.00 34.50 30.03 2hde s PRO 144 CO 0.37 -1.82 1.09 -2.14 -0.33 0.00 0.00 177.00 174.17 2hde s PRO 145 N 5.74 0.21 -0.07 5.54 0.02 -1.26 -4.94 135.00 140.24 2hde s PRO 145 Ca 0.89 1.14 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 2hde s PRO 145 Cb -0.29 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2hde s PRO 145 CO 0.35 -3.05 1.24 -1.25 -0.33 0.00 0.00 177.00 173.96 2hde s PRO 146 N -4.61 4.32 -0.20 5.54 0.04 -1.26 -5.01 135.00 133.81 2hde s PRO 146 Ca 0.67 1.71 -0.25 0.00 0.04 0.00 0.00 61.00 63.17 2hde s PRO 146 Cb -0.23 -3.61 0.06 0.00 0.04 0.00 0.00 34.50 30.77 2hde s PRO 146 CO 0.61 -0.52 0.66 -1.12 0.04 0.00 0.00 177.00 176.66 2hde s SER 147 N 1.66 -0.67 0.00 6.66 0.01 -1.26 -5.01 113.70 115.08 2hde s SER 147 Ca 0.57 1.17 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2hde s SER 147 Cb -0.25 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.13 2hde s SER 147 CO 0.21 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2hde n GLY 148 N 2.28 0.90 0.00 3.44 0.00 -1.26 -5.28 105.19 105.27 2hde n GLY 148 Ca -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86