#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 6.67 -0.29 1.61 0.15 -1.26 -5.05 113.70 115.52 2hde s SER 3 Ca 0.00 0.79 -0.24 0.00 0.70 0.00 0.00 55.95 57.20 2hde s SER 3 Cb 0.00 -2.23 -0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2hde s SER 3 CO 0.00 0.20 0.80 -2.28 1.20 0.00 0.00 173.24 173.15 2hde s HIS 4 N -0.28 3.22 -0.17 3.44 5.04 -1.26 -5.03 115.29 120.24 2hde s HIS 4 Ca 0.22 0.87 -0.16 0.00 -1.54 0.00 0.00 55.06 54.45 2hde s HIS 4 Cb -0.15 -3.19 -0.04 0.00 0.04 0.00 0.00 32.58 29.24 2hde s HIS 4 CO 0.10 -0.54 0.41 -1.64 -2.34 0.00 0.00 174.74 170.73 2hde s MET 5 N 2.94 4.24 -0.42 2.88 1.00 -1.26 -5.04 119.30 123.64 2hde s MET 5 Ca 0.33 0.27 -0.23 0.00 0.00 0.00 0.00 55.69 56.06 2hde s MET 5 Cb -0.14 -3.49 0.02 0.00 0.00 0.00 0.00 34.83 31.22 2hde s MET 5 CO 0.12 0.06 0.80 0.50 0.00 0.00 0.00 175.02 176.50 2hde s ARG 6 N 1.00 3.56 -0.02 2.03 6.06 -1.26 -4.92 118.95 125.40 2hde s ARG 6 Ca 0.21 0.10 -0.20 0.00 -2.50 0.00 0.00 55.73 53.33 2hde s ARG 6 Cb -0.15 -3.89 -0.29 0.00 0.06 0.00 0.00 34.95 30.69 2hde s ARG 6 CO 0.08 -1.03 0.98 0.28 -2.50 0.00 0.00 175.30 173.12 2hde h VAL 7 N 5.90 1.46 -2.99 7.11 2.07 -2.06 -3.44 116.25 124.30 2hde h VAL 7 Ca -0.25 -2.40 -0.54 0.00 0.82 0.00 0.00 66.70 64.34 2hde h VAL 7 Cb 1.09 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 2hde h VAL 7 CO 0.95 0.69 0.76 0.28 0.02 0.00 0.00 177.57 180.27 2hde s THR 8 N -2.73 3.76 -0.07 2.57 -1.32 -1.26 -5.02 115.64 111.57 2hde s THR 8 Ca -0.13 1.18 0.04 0.00 -1.21 0.00 0.00 61.69 61.57 2hde s THR 8 Cb 0.02 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 2hde s THR 8 CO 0.84 0.03 -0.19 0.00 -2.21 0.00 0.00 174.62 173.09 2hde s GLN 9 N 1.95 2.23 0.00 7.08 1.03 -1.26 -5.13 119.66 125.56 2hde s GLN 9 Ca 0.62 -0.68 0.00 0.00 0.04 0.00 0.00 55.36 55.34 2hde s GLN 9 Cb -0.31 -1.82 0.00 0.00 0.03 0.00 0.00 33.01 30.91 2hde s GLN 9 CO 0.27 0.19 0.00 -1.91 -2.54 0.00 0.00 175.29 171.30 2hde n GLU 10 N 3.39 0.00 -4.36 9.60 2.13 -1.26 -5.18 120.64 124.96 2hde n GLU 10 Ca -0.19 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.44 2hde n GLU 10 Cb 0.52 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.09 2hde n GLU 10 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2hde s GLU 11 N -1.14 0.77 -0.41 5.31 2.12 -1.26 -5.11 118.70 118.97 2hde s GLU 11 Ca 0.00 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 54.65 2hde s GLU 11 Cb 0.00 -0.74 0.02 0.00 0.26 0.00 0.00 34.13 33.67 2hde s GLU 11 CO 0.00 0.20 0.90 0.42 -0.54 0.00 0.00 175.26 176.24 2hde s ILE 12 N -0.40 4.55 -0.47 -3.70 1.01 -1.26 -4.94 121.20 116.00 2hde s ILE 12 Ca 0.02 0.92 0.07 0.00 0.00 0.00 0.00 60.65 61.66 2hde s ILE 12 Cb -0.05 -4.36 0.18 0.00 0.01 0.00 0.00 42.46 38.24 2hde s ILE 12 CO -0.00 -0.67 0.62 -0.54 0.00 0.00 0.00 174.94 174.36 2hde s LYS 13 N 3.55 0.95 -0.35 2.79 1.02 -1.26 -5.00 119.74 121.44 2hde s LYS 13 Ca 0.36 -0.97 0.14 0.00 0.02 0.00 0.00 55.97 55.52 2hde s LYS 13 Cb -0.11 -0.24 0.43 0.00 -0.52 0.00 0.00 37.83 37.38 2hde s LYS 13 CO 0.22 -1.29 1.30 0.36 -0.92 0.00 0.00 175.35 175.02 2hde n LYS 14 N 3.42 1.32 -1.54 1.68 0.00 -1.26 -5.14 118.16 116.63 2hde n LYS 14 Ca 0.17 -2.18 -0.30 0.00 -0.00 0.00 0.00 58.31 56.00 2hde n LYS 14 Cb 0.54 -0.38 0.10 0.00 -0.00 0.00 0.00 35.03 35.30 2hde n LYS 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2hde s GLU 15 N -1.07 1.92 1.02 -1.58 8.01 -1.26 -5.05 118.70 120.69 2hde s GLU 15 Ca 0.20 0.59 -0.13 0.00 0.01 0.00 0.00 54.97 55.64 2hde s GLU 15 Cb 0.41 -1.90 0.20 0.00 -4.31 0.00 0.00 34.13 28.53 2hde s GLU 15 CO -0.07 -1.73 1.10 -1.25 0.01 0.00 0.00 175.26 173.33 2hde s PRO 16 N -5.17 0.23 -0.40 0.39 0.04 -1.26 -4.95 135.00 123.88 2hde s PRO 16 Ca 0.61 0.40 0.04 0.00 0.04 0.00 0.00 61.00 62.09 2hde s PRO 16 Cb -0.15 -1.72 0.62 0.00 0.04 0.00 0.00 34.50 33.29 2hde s PRO 16 CO 0.54 -2.84 1.84 0.39 0.04 0.00 0.00 177.00 176.97 2hde n GLU 17 N -4.23 2.28 -3.99 4.56 -0.58 -1.26 -4.95 120.64 112.47 2hde n GLU 17 Ca 0.06 -2.78 -0.25 0.00 -0.42 0.00 0.00 57.16 53.77 2hde n GLU 17 Cb 0.58 -2.09 -0.04 0.00 -0.57 0.00 0.00 31.44 29.32 2hde n GLU 17 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2hde s LYS 18 N -3.01 3.29 0.52 3.49 -2.85 -1.26 -5.11 119.74 114.80 2hde s LYS 18 Ca 0.52 -0.71 -0.07 0.00 -1.00 0.00 0.00 55.97 54.71 2hde s LYS 18 Cb 0.44 -2.86 0.12 0.00 -2.06 0.00 0.00 37.83 33.47 2hde s LYS 18 CO 0.10 0.49 0.26 -0.35 0.10 0.00 0.00 175.35 175.96 2hde n PRO 19 N -0.66 -1.53 -1.96 1.78 -0.04 -1.26 -4.90 135.00 126.43 2hde n PRO 19 Ca -0.08 -0.44 -0.38 0.00 -0.04 0.00 0.00 63.50 62.57 2hde n PRO 19 Cb 0.55 -0.72 0.03 0.00 -0.04 0.00 0.00 33.50 33.31 2hde n PRO 19 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2hde s ILE 20 N -1.29 2.46 -0.50 0.52 1.01 -1.26 -4.92 121.20 117.21 2hde s ILE 20 Ca 0.20 0.34 -0.28 0.00 0.00 0.00 0.00 60.65 60.91 2hde s ILE 20 Cb -0.04 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.28 2hde s ILE 20 CO 0.17 -0.01 1.39 -1.81 0.00 0.00 0.00 174.94 174.68 2hde s ASP 21 N -1.18 6.24 0.58 3.58 1.11 -1.26 -4.86 116.67 120.88 2hde s ASP 21 Ca 0.70 0.49 0.35 0.00 0.18 0.00 0.00 52.55 54.27 2hde s ASP 21 Cb -0.35 -2.54 1.39 0.00 1.07 0.00 0.00 42.92 42.48 2hde s ASP 21 CO 0.42 -1.57 1.64 0.03 1.18 0.00 0.00 175.17 176.86 2hde h ARG 22 N 10.79 0.00 0.00 8.23 -0.00 -1.91 0.62 114.38 132.10 2hde h ARG 22 Ca -0.27 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 58.80 2hde h ARG 22 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.00 2hde h ARG 22 CO 1.14 0.00 -2.45 0.39 0.00 0.00 0.00 179.97 179.05 2hde n GLU 23 N -3.75 0.58 -0.76 0.04 1.02 -1.26 -4.49 120.64 112.03 2hde n GLU 23 Ca 0.24 0.20 -0.14 0.00 -0.02 0.00 0.00 57.16 57.45 2hde n GLU 23 Cb 1.34 -1.46 0.12 0.00 -0.02 0.00 0.00 31.44 31.42 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 -3.79 1.91 -2.00 3.49 4.01 -0.64 -4.95 118.16 116.19 2hde n LYS 24 Ca -0.49 -1.90 -0.31 0.00 -0.51 0.00 0.00 58.31 55.10 2hde n LYS 24 Cb 0.91 -1.76 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2hde s THR 25 N -2.08 4.70 0.14 -0.18 -1.32 0.21 -4.65 115.64 112.46 2hde s THR 25 Ca 0.36 0.87 0.05 0.00 -1.21 0.00 0.00 61.69 61.76 2hde s THR 25 Cb 0.30 -3.85 -0.04 0.00 -1.51 0.00 0.00 72.50 67.40 2hde s THR 25 CO 0.07 -1.07 0.10 -0.44 -2.21 0.00 0.00 174.62 171.07 2hde s SER 26 N -4.03 5.40 0.48 8.08 0.01 -1.26 -5.05 113.70 117.33 2hde s SER 26 Ca 0.55 -0.14 -0.20 0.00 1.31 0.00 0.00 55.95 57.47 2hde s SER 26 Cb -0.11 -1.38 -0.09 0.00 0.21 0.00 0.00 66.02 64.65 2hde s SER 26 CO 0.50 0.10 1.02 -2.16 0.41 0.00 0.00 173.24 173.12 2hde s PRO 27 N -2.87 3.87 0.03 12.44 0.04 -1.26 -4.42 135.00 142.83 2hde s PRO 27 Ca 0.30 1.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 2hde s PRO 27 Cb -0.11 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2hde s PRO 27 CO 0.22 -0.36 0.05 -0.48 0.04 0.00 0.00 177.00 176.47 2hde s LEU 28 N -3.45 1.99 -0.32 -3.56 0.05 0.11 -4.88 118.68 108.61 2hde s LEU 28 Ca 0.66 -0.56 -0.27 0.00 0.05 0.00 0.00 54.13 54.01 2hde s LEU 28 Cb -0.15 0.42 0.01 0.00 -2.05 0.00 0.00 46.19 44.43 2hde s LEU 28 CO 0.19 -0.45 0.96 -0.22 -0.55 0.00 0.00 176.35 176.28 2hde s LEU 29 N -1.99 3.99 -0.08 1.48 2.96 -1.26 -2.12 118.68 121.66 2hde s LEU 29 Ca -0.07 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 2hde s LEU 29 Cb -0.03 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.32 2hde s LEU 29 CO -0.04 -0.80 -0.16 -0.22 -1.32 0.00 0.00 176.35 173.82 2hde s LEU 30 N 3.41 1.77 -0.00 -0.68 2.96 -1.05 -4.47 118.68 120.63 2hde s LEU 30 Ca 0.40 -0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 53.66 2hde s LEU 30 Cb -0.13 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 2hde s LEU 30 CO 0.15 0.07 0.85 -0.13 -1.32 0.00 0.00 176.35 175.97 2hde s ARG 31 N 0.60 4.52 -0.05 1.98 0.52 -1.26 -2.57 118.95 122.70 2hde s ARG 31 Ca -0.15 1.19 0.02 0.00 -0.52 0.00 0.00 55.73 56.27 2hde s ARG 31 Cb -0.16 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.89 2hde s ARG 31 CO 0.05 0.07 -0.09 0.14 0.02 0.00 0.00 175.30 175.49 2hde s VAL 32 N 0.65 0.89 -0.26 3.52 -7.23 -0.16 -2.78 120.40 115.03 2hde s VAL 32 Ca 0.44 -0.36 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 2hde s VAL 32 Cb -0.20 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 2hde s VAL 32 CO 0.24 0.29 0.22 -0.36 -0.31 0.00 0.00 175.10 175.18 2hde s PHE 33 N 0.58 3.26 -0.17 2.82 0.40 -0.76 0.34 117.98 124.45 2hde s PHE 33 Ca -0.10 0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2hde s PHE 33 Cb -0.13 -2.38 -0.02 0.00 0.51 0.00 0.00 43.02 40.99 2hde s PHE 33 CO 0.02 -0.10 -0.06 0.95 0.70 0.00 0.00 175.22 176.73 2hde s THR 34 N 1.60 3.56 0.19 0.64 -4.23 -0.98 0.42 115.64 116.83 2hde s THR 34 Ca 0.09 -0.46 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 2hde s THR 34 Cb -0.15 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 2hde s THR 34 CO 0.09 0.48 -0.15 0.28 -0.54 0.00 0.00 174.62 174.78 2hde s THR 35 N 0.70 1.69 -0.30 3.99 -1.32 -1.12 -4.82 115.64 114.45 2hde s THR 35 Ca -0.03 -2.12 0.08 0.00 -1.21 0.00 0.00 61.69 58.42 2hde s THR 35 Cb -0.15 -1.96 0.52 0.00 -1.51 0.00 0.00 72.50 69.41 2hde s THR 35 CO 0.02 -0.54 1.51 -3.20 -2.21 0.00 0.00 174.62 170.19 2hde n ASN 36 N -0.19 2.61 0.00 8.08 5.15 -1.25 -0.54 115.26 129.11 2hde n ASN 36 Ca -0.09 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.13 2hde n ASN 36 Cb 0.60 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.19 2hde n ASN 36 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2hde n ASN 37 N -1.11 0.04 -2.80 1.20 3.02 -1.18 -4.81 115.26 109.62 2hde n ASN 37 Ca 0.35 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 54.30 2hde n ASN 37 Cb 1.09 0.86 0.07 0.00 -0.61 0.00 0.00 39.78 41.18 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hde n GLY 38 N 0.86 -0.15 3.18 7.41 0.00 -1.19 -4.96 105.19 110.34 2hde n GLY 38 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.08 0.67 -0.05 1.61 1.81 -1.26 -4.98 118.95 111.66 2hde s ARG 39 Ca 0.03 -0.54 0.10 0.00 -1.72 0.00 0.00 55.73 53.61 2hde s ARG 39 Cb -0.02 0.28 0.39 0.00 -0.45 0.00 0.00 34.95 35.15 2hde s ARG 39 CO 0.54 -0.19 1.24 -2.39 -0.68 0.00 0.00 175.30 173.83 2hde n HIS 40 N 0.86 0.76 0.31 -0.53 1.44 -1.26 -4.49 115.22 112.31 2hde n HIS 40 Ca -0.20 -0.31 0.06 0.00 -2.01 0.00 0.00 57.72 55.26 2hde n HIS 40 Cb 0.58 -0.13 0.26 0.00 0.12 0.00 0.00 29.99 30.82 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 2.25 0.00 0.00 -1.40 2.07 -2.01 -3.37 115.15 112.69 2hde h HIS 41 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2hde h HIS 41 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 2hde h HIS 41 CO 0.39 0.00 0.00 -2.13 -3.07 0.00 0.00 177.93 173.12 2hde n ARG 42 N -2.66 0.00 -0.46 5.12 0.00 -1.26 0.19 116.66 117.59 2hde n ARG 42 Ca 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 57.85 58.23 2hde n ARG 42 Cb 0.84 0.00 0.62 0.00 0.00 0.00 0.00 32.46 33.92 2hde n ARG 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hde n MET 43 N 0.00 -0.02 -0.06 -0.14 0.00 -1.26 0.16 117.12 115.79 2hde n MET 43 Ca 0.00 1.06 -0.15 0.00 0.00 0.00 0.00 57.70 58.60 2hde n MET 43 Cb 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 33.22 30.92 2hde n MET 43 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2hde n ASP 44 N -4.26 1.40 0.23 3.17 -0.08 0.52 -4.42 116.55 113.10 2hde n ASP 44 Ca 0.36 0.10 -0.15 0.00 -1.51 0.00 0.00 54.79 53.59 2hde n ASP 44 Cb 1.46 -0.19 -0.08 0.00 2.34 0.00 0.00 41.12 44.65 2hde n ASP 44 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2hde h GLU 45 N 0.02 -0.50 -4.57 -0.67 4.39 0.16 -3.45 114.58 109.97 2hde h GLU 45 Ca -0.47 0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.05 2hde h GLU 45 Cb 2.03 0.11 -0.16 0.00 -0.10 0.00 0.00 28.75 30.63 2hde h GLU 45 CO 0.02 -0.32 -0.70 -0.59 -1.16 0.00 0.00 179.01 176.26 2hde s PHE 46 N -6.05 0.78 0.00 4.33 -0.12 0.20 -5.02 117.98 112.10 2hde s PHE 46 Ca -0.16 -0.84 0.00 0.00 -0.05 0.00 0.00 56.93 55.89 2hde s PHE 46 Cb 0.04 -0.47 0.00 0.00 -0.63 0.00 0.00 43.02 41.97 2hde s PHE 46 CO 0.63 -0.16 0.00 -1.13 -0.05 0.00 0.00 175.22 174.51 2hde n SER 47 N 0.33 0.00 -1.88 1.98 3.41 -1.26 -4.07 113.62 112.13 2hde n SER 47 Ca -0.15 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.28 2hde n SER 47 Cb 0.59 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.64 2hde n SER 47 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2hde n ARG 48 N -0.47 1.91 -3.74 4.33 0.63 -1.26 -4.85 116.66 113.21 2hde n ARG 48 Ca 0.00 -2.02 -0.24 0.00 -0.92 0.00 0.00 57.85 54.67 2hde n ARG 48 Cb 0.00 -1.79 0.04 0.00 0.45 0.00 0.00 32.46 31.16 2hde n ARG 48 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hde n GLY 49 N -0.40 -0.38 1.85 5.14 0.00 -1.26 -4.84 105.19 105.31 2hde n GLY 49 Ca 0.40 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.99 5.59 -3.40 1.61 2.85 -1.26 -4.69 115.26 112.97 2hde n ASN 50 Ca -0.16 -2.62 0.02 0.00 -0.11 0.00 0.00 54.58 51.72 2hde n ASN 50 Cb 0.62 -1.24 -0.05 0.00 1.24 0.00 0.00 39.78 40.35 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 -0.19 -0.12 -0.44 3.44 0.11 -1.26 -5.02 120.40 116.92 2hde s VAL 51 Ca 0.36 0.00 0.18 0.00 -2.93 0.00 0.00 61.98 59.59 2hde s VAL 51 Cb 0.20 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.23 2hde s VAL 51 CO -0.03 0.00 1.54 -0.81 -3.33 0.00 0.00 175.10 172.48 2hde n PRO 52 N 4.14 0.12 -0.42 1.54 -0.04 -1.26 -1.64 135.00 137.43 2hde n PRO 52 Ca -0.11 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 2hde n PRO 52 Cb 0.55 -1.84 0.24 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.08 3.37 0.00 3.54 3.41 -1.26 -4.51 113.62 116.10 2hde n SER 53 Ca -0.00 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 2hde n SER 53 Cb 0.07 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2hde n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2hde n SER 54 N 0.65 0.00 -4.82 4.04 3.41 -0.65 -4.71 113.62 111.53 2hde n SER 54 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.41 2hde n SER 54 Cb 0.65 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 2hde n SER 54 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2hde s GLU 55 N -0.45 3.94 0.18 4.33 8.01 -1.26 -2.31 118.70 131.14 2hde s GLU 55 Ca 0.00 0.31 0.10 0.00 0.01 0.00 0.00 54.97 55.39 2hde s GLU 55 Cb 0.00 -3.26 -0.04 0.00 -4.31 0.00 0.00 34.13 26.51 2hde s GLU 55 CO 0.00 0.60 -0.21 -0.51 0.01 0.00 0.00 175.26 175.14 2hde s LEU 56 N -0.72 2.43 -0.16 1.80 1.43 0.15 -4.86 118.68 118.76 2hde s LEU 56 Ca 0.22 -0.86 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 2hde s LEU 56 Cb -0.16 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2hde s LEU 56 CO 0.11 0.05 0.07 -1.10 0.23 0.00 0.00 176.35 175.70 2hde s GLN 57 N -2.69 3.75 -0.02 1.70 1.11 -1.26 -0.99 119.66 121.26 2hde s GLN 57 Ca 0.18 -0.31 0.00 0.00 0.01 0.00 0.00 55.36 55.24 2hde s GLN 57 Cb -0.07 -3.15 0.02 0.00 -1.01 0.00 0.00 33.01 28.80 2hde s GLN 57 CO 0.08 0.42 0.00 0.96 0.01 0.00 0.00 175.29 176.77 2hde s ILE 58 N -0.06 0.11 -1.19 1.08 -4.36 -1.06 -4.96 121.20 110.75 2hde s ILE 58 Ca 0.07 0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.38 2hde s ILE 58 Cb -0.12 -0.19 0.14 0.00 1.25 0.00 0.00 42.46 43.54 2hde s ILE 58 CO 0.01 0.11 1.48 -0.31 0.24 0.00 0.00 174.94 176.47 2hde s TYR 59 N 0.78 3.23 0.34 1.37 1.51 -1.25 -2.51 117.35 120.82 2hde s TYR 59 Ca -0.07 -1.87 0.01 0.00 -1.01 0.00 0.00 57.07 54.13 2hde s TYR 59 Cb -0.10 -4.44 0.01 0.00 -0.11 0.00 0.00 41.96 37.31 2hde s TYR 59 CO -0.02 -1.54 0.08 -2.37 -1.11 0.00 0.00 175.55 170.59 2hde n THR 60 N 5.27 0.00 -3.90 -0.71 5.66 -0.90 -4.52 114.28 115.19 2hde n THR 60 Ca 0.38 -1.54 -0.26 0.00 -3.05 0.00 0.00 64.05 59.58 2hde n THR 60 Cb 0.45 0.17 -0.17 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.09 1.30 0.27 1.09 -2.14 -1.26 0.07 118.94 116.18 2hde s TRP 61 Ca 0.06 -0.61 0.21 0.00 2.66 0.00 0.00 56.10 58.41 2hde s TRP 61 Cb -0.00 -1.13 0.88 0.00 -3.10 0.00 0.00 33.47 30.11 2hde s TRP 61 CO 0.04 -0.47 0.90 -1.33 -2.66 0.00 0.00 176.95 173.43 2hde n MET 62 N 4.95 -0.02 -0.50 3.25 2.81 -1.26 0.24 117.12 126.59 2hde n MET 62 Ca -0.12 0.70 -0.10 0.00 -1.81 0.00 0.00 57.70 56.38 2hde n MET 62 Cb 0.50 -1.42 0.08 0.00 -0.71 0.00 0.00 33.22 31.66 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 -3.69 3.30 -4.85 7.83 -0.08 -1.26 -0.66 116.55 117.14 2hde n ASP 63 Ca 0.24 -2.65 -0.36 0.00 -1.51 0.00 0.00 54.79 50.51 2hde n ASP 63 Cb 0.95 -0.64 -0.06 0.00 2.34 0.00 0.00 41.12 43.72 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hde s ALA 64 N -1.35 3.67 0.53 -1.67 0.00 0.65 -4.69 121.76 118.90 2hde s ALA 64 Ca 0.23 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 2hde s ALA 64 Cb 0.19 -2.38 -0.07 0.00 0.00 0.00 0.00 23.12 20.87 2hde s ALA 64 CO 0.05 0.51 1.01 0.95 0.00 0.00 0.00 175.76 178.28 2hde s THR 65 N -1.33 4.18 0.54 0.00 -4.23 -1.26 -1.47 115.64 112.07 2hde s THR 65 Ca 0.32 1.12 0.44 0.00 -1.18 0.00 0.00 61.69 62.39 2hde s THR 65 Cb -0.15 -3.56 0.65 0.00 1.34 0.00 0.00 72.50 70.78 2hde s THR 65 CO 0.17 -0.53 1.67 -0.07 -0.54 0.00 0.00 174.62 175.32 2hde h LEU 66 N 0.96 0.02 0.26 4.79 -0.00 0.14 0.25 115.31 121.73 2hde h LEU 66 Ca -0.47 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.40 2hde h LEU 66 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2hde h LEU 66 CO 0.60 -0.01 -0.12 0.07 -0.00 0.00 0.00 178.44 178.97 2hde h LYS 67 N 0.01 -0.33 -0.94 1.13 2.10 -1.77 -1.27 116.57 115.50 2hde h LYS 67 Ca 0.79 0.02 0.16 0.00 -2.00 0.00 0.00 60.65 59.61 2hde h LYS 67 Cb 3.11 0.08 -0.10 0.00 -0.90 0.00 0.00 32.23 34.42 2hde h LYS 67 CO -0.04 -0.11 0.54 0.93 -2.00 0.00 0.00 179.45 178.77 2hde h GLU 68 N -0.50 0.73 -0.05 0.07 3.07 -0.83 0.33 114.58 117.41 2hde h GLU 68 Ca -0.04 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2hde h GLU 68 Cb 0.37 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2hde h GLU 68 CO 0.06 0.48 -0.32 -0.07 -1.40 0.00 0.00 179.01 177.76 2hde h LEU 69 N 0.75 0.10 -1.14 1.33 -0.00 -1.34 -2.67 115.31 112.34 2hde h LEU 69 Ca 0.51 -0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.45 2hde h LEU 69 Cb 0.70 -0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.27 2hde h LEU 69 CO -0.35 0.42 0.60 0.74 -0.00 0.00 0.00 178.44 179.85 2hde h THR 70 N 0.09 1.00 -0.09 0.22 2.02 0.89 -2.10 112.91 114.92 2hde h THR 70 Ca 0.01 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 2hde h THR 70 Cb 0.61 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2hde h THR 70 CO 0.04 0.18 -0.26 0.28 0.37 0.00 0.00 175.52 176.13 2hde h SER 71 N 0.97 0.39 -0.89 4.18 0.02 -1.24 -2.87 113.55 114.10 2hde h SER 71 Ca 0.42 -0.59 0.23 0.00 -0.84 0.00 0.00 61.79 61.01 2hde h SER 71 Cb 0.35 -0.11 -0.16 0.00 0.14 0.00 0.00 62.40 62.62 2hde h SER 71 CO -0.18 0.91 0.09 -0.07 -1.14 0.00 0.00 176.83 176.44 2hde h LEU 72 N -0.12 -0.29 0.03 5.07 3.38 -1.19 0.33 115.31 122.52 2hde h LEU 72 Ca -0.01 0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2hde h LEU 72 Cb 0.87 0.38 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2hde h LEU 72 CO 0.06 -0.25 -0.18 0.58 0.09 0.00 0.00 178.44 178.74 2hde h VAL 73 N 0.09 1.74 0.00 1.22 2.07 -1.57 -2.76 116.25 117.04 2hde h VAL 73 Ca 0.54 -2.39 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 2hde h VAL 73 Cb 1.07 3.35 -0.00 0.00 -1.52 0.00 0.00 31.29 34.19 2hde h VAL 73 CO -0.77 0.63 -0.15 0.07 0.02 0.00 0.00 177.57 177.38 2hde h LYS 74 N -0.86 0.00 0.15 1.57 5.09 -1.20 0.46 116.57 121.78 2hde h LYS 74 Ca -0.03 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 60.42 2hde h LYS 74 Cb 1.14 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.48 2hde h LYS 74 CO 0.03 0.15 -1.35 0.93 -2.09 0.00 0.00 179.45 177.12 2hde h GLU 75 N 0.00 0.32 0.02 0.07 5.08 -0.48 -3.19 114.58 116.41 2hde h GLU 75 Ca -0.00 -0.55 -0.21 0.00 -1.00 0.00 0.00 59.36 57.59 2hde h GLU 75 Cb 0.27 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2hde h GLU 75 CO 0.02 1.25 -0.96 -0.24 -1.00 0.00 0.00 179.01 178.08 2hde h VAL 76 N 0.09 1.53 -3.47 3.13 3.04 -1.16 -3.43 116.25 115.99 2hde h VAL 76 Ca -0.18 -2.82 -0.66 0.00 -1.01 0.00 0.00 66.70 62.04 2hde h VAL 76 Cb 2.02 2.60 -0.27 0.00 -2.01 0.00 0.00 31.29 33.64 2hde h VAL 76 CO 0.21 0.82 -0.70 -0.47 -1.01 0.00 0.00 177.57 176.42 2hde s TYR 77 N -3.04 3.00 0.19 3.17 6.14 0.16 -5.00 117.35 121.96 2hde s TYR 77 Ca -0.02 -0.83 -0.09 0.00 0.64 0.00 0.00 57.07 56.76 2hde s TYR 77 Cb 0.10 -2.14 0.11 0.00 0.42 0.00 0.00 41.96 40.44 2hde s TYR 77 CO 0.84 -0.51 1.72 -1.35 0.64 0.00 0.00 175.55 176.88 2hde h PRO 78 N 8.14 1.09 0.00 4.97 0.11 -1.84 -2.43 132.00 142.05 2hde h PRO 78 Ca -0.40 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.46 2hde h PRO 78 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2hde h PRO 78 CO 0.60 0.95 0.00 -1.91 -0.21 0.00 0.00 178.00 177.43 2hde n GLU 79 N -4.28 0.10 -0.02 1.05 4.07 -1.26 -2.53 120.64 117.77 2hde n GLU 79 Ca 0.05 0.39 -0.14 0.00 -0.06 0.00 0.00 57.16 57.40 2hde n GLU 79 Cb 0.24 -1.72 -0.14 0.00 -0.06 0.00 0.00 31.44 29.76 2hde n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hde n ALA 80 N -1.65 1.26 0.27 4.31 0.00 -0.93 -4.01 120.51 119.75 2hde n ALA 80 Ca 0.02 -0.73 0.18 0.00 0.00 0.00 0.00 53.44 52.91 2hde n ALA 80 Cb 0.17 -0.74 0.94 0.00 0.00 0.00 0.00 19.45 19.82 2hde n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hde h ARG 81 N 0.03 0.00 -6.91 0.00 3.08 -1.32 -3.44 114.38 105.83 2hde h ARG 81 Ca -0.36 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.14 2hde h ARG 81 Cb 2.03 0.00 0.12 0.00 0.08 0.00 0.00 29.97 32.20 2hde h ARG 81 CO 0.08 0.00 0.66 1.17 -1.07 0.00 0.00 179.97 180.81 2hde n LYS 82 N -2.73 2.32 -2.22 0.04 3.00 -1.25 -4.94 118.16 112.38 2hde n LYS 82 Ca -0.02 0.82 -0.40 0.00 -0.00 0.00 0.00 58.31 58.70 2hde n LYS 82 Cb 0.08 -2.56 -0.03 0.00 0.00 0.00 0.00 35.03 32.53 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 -2.21 4.38 0.00 1.64 3.01 -1.26 -3.06 119.74 122.24 2hde s LYS 83 Ca 0.58 2.07 0.00 0.00 -1.01 0.00 0.00 55.97 57.61 2hde s LYS 83 Cb -0.49 -3.05 0.00 0.00 -1.01 0.00 0.00 37.83 33.28 2hde s LYS 83 CO 0.60 -0.11 0.00 0.41 0.51 0.00 0.00 175.35 176.76 2hde n GLY 84 N 0.88 0.76 3.58 -3.33 0.00 -1.26 -4.69 105.19 101.13 2hde n GLY 84 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.28 4.90 -0.30 2.61 2.01 -1.17 -3.71 115.64 117.69 2hde s THR 85 Ca 0.00 0.68 -0.09 0.00 0.31 0.00 0.00 61.69 62.59 2hde s THR 85 Cb 0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2hde s THR 85 CO 0.00 -0.26 0.15 -1.38 -0.69 0.00 0.00 174.62 172.44 2hde s HIS 86 N 2.68 3.17 0.13 4.92 -3.43 -0.80 0.08 115.29 122.05 2hde s HIS 86 Ca 0.25 -0.55 0.06 0.00 -0.80 0.00 0.00 55.06 54.02 2hde s HIS 86 Cb -0.15 -2.34 -0.04 0.00 -1.43 0.00 0.00 32.58 28.62 2hde s HIS 86 CO 0.14 -0.44 -0.01 -0.59 -2.00 0.00 0.00 174.74 171.83 2hde s PHE 87 N 1.61 2.89 -0.07 0.38 -0.71 -0.53 -0.15 117.98 121.40 2hde s PHE 87 Ca 0.05 -0.09 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 2hde s PHE 87 Cb -0.17 -1.45 -0.01 0.00 -1.21 0.00 0.00 43.02 40.18 2hde s PHE 87 CO 0.06 0.49 -0.24 -0.80 -1.34 0.00 0.00 175.22 173.39 2hde s ASN 88 N -2.59 3.13 -0.17 1.98 -0.87 0.72 -0.54 114.94 116.60 2hde s ASN 88 Ca 0.26 -0.51 -0.17 0.00 -1.57 0.00 0.00 52.86 50.86 2hde s ASN 88 Cb -0.11 -1.06 -0.04 0.00 -0.02 0.00 0.00 41.25 40.03 2hde s ASN 88 CO 0.18 0.22 0.45 -0.36 -2.57 0.00 0.00 177.10 175.01 2hde s PHE 89 N 0.01 3.43 0.14 2.20 0.40 0.15 -0.03 117.98 124.27 2hde s PHE 89 Ca -0.09 0.75 -0.08 0.00 -0.60 0.00 0.00 56.93 56.91 2hde s PHE 89 Cb -0.15 -2.56 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2hde s PHE 89 CO 0.05 0.05 0.24 0.00 0.70 0.00 0.00 175.22 176.26 2hde s ALA 90 N 1.09 0.07 -0.21 5.36 0.00 0.03 -1.30 121.76 126.81 2hde s ALA 90 Ca 0.22 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 2hde s ALA 90 Cb -0.15 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2hde s ALA 90 CO 0.09 -0.60 0.01 0.42 0.00 0.00 0.00 175.76 175.68 2hde s ILE 91 N -3.96 3.97 0.16 0.00 1.09 0.03 0.37 121.20 122.86 2hde s ILE 91 Ca 0.16 -0.30 0.02 0.00 -1.10 0.00 0.00 60.65 59.43 2hde s ILE 91 Cb 0.04 -2.80 -0.05 0.00 -1.06 0.00 0.00 42.46 38.59 2hde s ILE 91 CO -0.02 0.42 -0.03 0.54 -0.10 0.00 0.00 174.94 175.75 2hde s VAL 92 N 1.09 0.78 -0.00 2.92 0.11 -1.11 -2.77 120.40 121.42 2hde s VAL 92 Ca 0.02 -1.99 -0.08 0.00 -2.93 0.00 0.00 61.98 57.01 2hde s VAL 92 Cb -0.14 -1.99 0.00 0.00 -1.53 0.00 0.00 36.38 32.72 2hde s VAL 92 CO 0.02 -0.60 0.16 0.72 -3.33 0.00 0.00 175.10 172.07 2hde s PHE 93 N -3.59 0.01 0.25 1.54 -0.12 -1.26 -4.47 117.98 110.34 2hde s PHE 93 Ca 0.20 -0.07 -0.31 0.00 -0.05 0.00 0.00 56.93 56.71 2hde s PHE 93 Cb 0.05 -0.03 -0.11 0.00 -0.63 0.00 0.00 43.02 42.30 2hde s PHE 93 CO 0.02 -0.29 1.62 0.99 -0.05 0.00 0.00 175.22 177.51 2hde s THR 94 N -1.34 2.14 0.39 -4.49 2.01 -1.26 -4.67 115.64 108.42 2hde s THR 94 Ca -0.14 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2hde s THR 94 Cb -0.07 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2hde s THR 94 CO 0.02 0.01 0.37 -1.81 -0.69 0.00 0.00 174.62 172.52 2hde s ASP 95 N 0.76 5.22 0.00 3.53 1.11 -1.26 -5.02 116.67 121.01 2hde s ASP 95 Ca 0.67 -0.61 0.00 0.00 0.18 0.00 0.00 52.55 52.79 2hde s ASP 95 Cb -0.48 -0.74 0.00 0.00 1.07 0.00 0.00 42.92 42.78 2hde s ASP 95 CO 0.41 -0.55 0.00 1.33 1.18 0.00 0.00 175.17 177.54 2hde n VAL 96 N -1.52 0.00 -0.04 -1.27 0.24 -1.26 -5.05 118.33 109.43 2hde n VAL 96 Ca 0.02 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.26 2hde n VAL 96 Cb 0.61 -0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.93 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 -0.59 0.22 -2.65 7.34 0.00 -1.26 -4.99 118.16 116.22 2hde n LYS 97 Ca 0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 58.31 58.32 2hde n LYS 97 Cb 0.00 -1.17 0.09 0.00 -0.00 0.00 0.00 35.03 33.95 2hde n LYS 97 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2hde n ARG 98 N -2.76 0.04 0.07 -1.58 1.85 -1.26 -5.02 116.66 108.00 2hde n ARG 98 Ca -0.15 -0.57 0.13 0.00 -1.00 0.00 0.00 57.85 56.26 2hde n ARG 98 Cb 0.66 -0.07 0.48 0.00 -1.05 0.00 0.00 32.46 32.49 2hde n ARG 98 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2hde n PRO 99 N 1.23 0.16 -0.34 2.89 -0.04 -1.26 -4.91 135.00 132.72 2hde n PRO 99 Ca -0.02 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2hde n PRO 99 Cb 0.73 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.32 1.21 2.41 0.55 0.00 -1.26 -5.02 105.19 104.40 2hde n GLY 100 Ca 0.06 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.67 -0.49 -2.70 1.61 4.11 -1.26 -4.93 117.16 112.83 2hde n TYR 101 Ca 0.00 0.66 -0.06 0.00 -0.00 0.00 0.00 57.90 58.49 2hde n TYR 101 Cb 0.07 -1.38 0.09 0.00 -0.00 0.00 0.00 39.34 38.12 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 0.74 0.77 -2.79 -3.48 5.12 -1.26 -5.15 116.66 110.61 2hde n ARG 102 Ca 0.12 -1.47 -0.36 0.00 -1.93 0.00 0.00 57.85 54.21 2hde n ARG 102 Cb 0.19 -0.40 -0.07 0.00 -1.16 0.00 0.00 32.46 31.03 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hde s VAL 103 N 0.17 4.25 0.15 1.55 0.11 -1.26 -5.00 120.40 120.37 2hde s VAL 103 Ca 0.19 1.75 -0.21 0.00 -2.93 0.00 0.00 61.98 60.77 2hde s VAL 103 Cb 0.29 -3.93 0.06 0.00 -1.53 0.00 0.00 36.38 31.27 2hde s VAL 103 CO -0.08 0.05 0.55 -0.75 -3.33 0.00 0.00 175.10 171.54 2hde s LYS 104 N -2.28 1.22 -0.01 1.54 2.47 -1.12 -4.99 119.74 116.58 2hde s LYS 104 Ca 0.53 -0.52 -0.06 0.00 -1.56 0.00 0.00 55.97 54.36 2hde s LYS 104 Cb -0.17 0.56 -0.05 0.00 -1.46 0.00 0.00 37.83 36.72 2hde s LYS 104 CO 0.21 -0.52 0.25 -2.00 0.16 0.00 0.00 175.35 173.45 2hde s GLU 105 N -3.72 3.55 -0.01 4.03 2.12 -1.26 -0.79 118.70 122.61 2hde s GLU 105 Ca 0.01 -0.11 0.10 0.00 0.36 0.00 0.00 54.97 55.33 2hde s GLU 105 Cb -0.00 -3.09 -0.15 0.00 0.26 0.00 0.00 34.13 31.15 2hde s GLU 105 CO -0.12 0.66 0.22 0.44 -0.54 0.00 0.00 175.26 175.92 2hde n ILE 106 N 1.17 0.00 0.00 -3.70 -6.64 -0.42 -4.95 119.36 104.82 2hde n ILE 106 Ca -0.12 -0.22 0.00 0.00 -1.77 0.00 0.00 62.75 60.64 2hde n ILE 106 Cb 0.53 0.31 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 1.93 1.30 3.16 3.28 0.00 -1.16 -5.04 105.19 108.67 2hde n GLY 107 Ca -0.02 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2hde n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hde s SER 108 N 0.00 1.95 0.00 1.61 0.01 -1.26 0.32 113.70 116.33 2hde s SER 108 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2hde s SER 108 Cb 0.00 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2hde s SER 108 CO 0.00 0.16 0.00 0.35 0.41 0.00 0.00 173.24 174.16 2hde n THR 109 N 2.40 0.00 -4.16 1.44 -2.24 0.30 -4.50 114.28 107.53 2hde n THR 109 Ca -0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2hde n THR 109 Cb 0.54 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.96 0.82 -0.85 -0.78 -1.94 -1.25 -1.45 119.30 111.89 2hde s MET 110 Ca 0.00 -1.34 -0.25 0.00 -1.71 0.00 0.00 55.69 52.39 2hde s MET 110 Cb 0.00 -0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 2hde s MET 110 CO 0.00 -0.07 1.74 -1.54 -0.01 0.00 0.00 175.02 175.14 2hde s SER 111 N -3.03 5.58 0.00 3.03 1.04 0.11 -3.02 113.70 117.42 2hde s SER 111 Ca 0.13 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2hde s SER 111 Cb 0.06 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2hde s SER 111 CO -0.05 -2.29 0.00 0.61 0.98 0.00 0.00 173.24 172.49 2hde n GLY 112 N 6.44 0.52 3.09 7.32 0.00 -1.26 -4.35 105.19 116.94 2hde n GLY 112 Ca 0.30 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 2hde n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 113 N -2.28 0.80 -0.62 1.61 0.52 -1.17 -5.10 118.95 112.71 2hde s ARG 113 Ca 0.00 -0.60 -0.22 0.00 -0.52 0.00 0.00 55.73 54.39 2hde s ARG 113 Cb 0.00 -0.76 0.07 0.00 0.52 0.00 0.00 34.95 34.78 2hde s ARG 113 CO 0.00 0.19 0.90 0.21 0.02 0.00 0.00 175.30 176.62 2hde s LYS 114 N -0.87 3.14 0.00 3.54 2.47 -1.26 -3.93 119.74 122.84 2hde s LYS 114 Ca 0.01 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 2hde s LYS 114 Cb -0.07 -4.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.11 2hde s LYS 114 CO 0.01 -1.68 0.00 0.41 0.16 0.00 0.00 175.35 174.25 2hde n GLY 115 N 5.27 -1.38 0.12 5.54 0.00 -1.26 -4.97 105.19 108.51 2hde n GLY 115 Ca -0.04 -1.57 -0.16 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 -0.56 0.83 0.00 2.61 1.35 -1.96 -3.34 112.91 111.83 2hde h THR 116 Ca 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 2hde h THR 116 Cb 0.00 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2hde h THR 116 CO 0.00 0.76 -0.32 0.47 -0.25 0.00 0.00 175.52 176.18 2hde n ASP 117 N -3.35 0.38 -0.20 5.36 8.00 -1.26 -4.02 116.55 121.46 2hde n ASP 117 Ca -0.23 0.11 0.31 0.00 0.71 0.00 0.00 54.79 55.68 2hde n ASP 117 Cb 1.05 -0.09 0.71 0.00 -0.02 0.00 0.00 41.12 42.77 2hde n ASP 117 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2hde h ASP 118 N 0.00 0.00 1.02 -2.24 5.19 -1.83 1.08 116.42 119.64 2hde h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2hde h ASP 118 Cb 0.55 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2hde h ASP 118 CO 0.00 0.00 -0.28 -1.20 -3.12 0.00 0.00 179.24 174.64 2hde n SER 119 N -3.93 0.56 -4.88 6.45 7.64 -1.26 -2.68 113.62 115.52 2hde n SER 119 Ca 0.21 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 60.06 2hde n SER 119 Cb 1.12 -0.25 0.03 0.00 -1.01 0.00 0.00 64.21 64.09 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 -3.08 3.26 0.27 1.43 0.00 0.37 -4.79 119.30 116.76 2hde s MET 120 Ca 0.10 0.57 0.10 0.00 0.00 0.00 0.00 55.69 56.46 2hde s MET 120 Cb 0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 34.83 32.86 2hde s MET 120 CO 0.64 -0.75 -0.03 0.95 0.00 0.00 0.00 175.02 175.82 2hde s THR 121 N -3.23 3.31 0.02 10.11 -4.23 -1.26 0.14 115.64 120.51 2hde s THR 121 Ca 0.56 -1.98 -0.24 0.00 -1.18 0.00 0.00 61.69 58.85 2hde s THR 121 Cb -0.11 -2.76 -0.17 0.00 1.34 0.00 0.00 72.50 70.79 2hde s THR 121 CO 0.52 -0.37 1.43 -0.07 -0.54 0.00 0.00 174.62 175.59 2hde h LEU 122 N 1.97 0.05 -1.59 4.79 3.38 -1.32 -3.01 115.31 119.58 2hde h LEU 122 Ca -0.44 -0.33 0.24 0.00 0.09 0.00 0.00 57.88 57.44 2hde h LEU 122 Cb 1.25 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 2hde h LEU 122 CO 0.60 0.37 0.64 0.06 0.09 0.00 0.00 178.44 180.20 2hde h GLN 123 N -0.27 0.30 0.00 1.13 3.07 -1.11 0.60 115.11 118.83 2hde h GLN 123 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2hde h GLN 123 Cb 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.84 2hde h GLN 123 CO 0.00 0.20 0.00 1.03 0.09 0.00 0.00 178.83 180.15 2hde h SER 124 N 0.31 0.00 -0.40 0.06 0.87 -1.81 -1.96 113.55 110.61 2hde h SER 124 Ca 0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 2hde h SER 124 Cb 1.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2hde h SER 124 CO -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.14 2hde n GLN 125 N -2.83 3.17 -0.74 2.24 1.13 0.21 -4.87 117.38 115.70 2hde n GLN 125 Ca -0.00 -1.96 0.00 0.00 -1.94 0.00 0.00 57.00 53.10 2hde n GLN 125 Cb 0.21 -1.84 0.00 0.00 0.11 0.00 0.00 30.24 28.72 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 0.53 0.00 -1.93 -1.09 5.02 -0.74 -4.99 118.16 114.96 2hde n LYS 126 Ca 0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.09 2hde n LYS 126 Cb 0.75 -2.86 0.04 0.00 -0.02 0.00 0.00 35.03 32.94 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 -3.13 2.37 0.11 2.13 5.36 -1.22 -5.02 117.98 118.57 2hde s PHE 127 Ca 0.00 1.47 -0.02 0.00 -0.96 0.00 0.00 56.93 57.42 2hde s PHE 127 Cb 0.00 -3.60 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 2hde s PHE 127 CO 0.00 -2.45 0.06 -0.65 -1.46 0.00 0.00 175.22 170.72 2hde s GLN 128 N -3.13 0.86 0.15 10.12 -1.52 -1.26 -4.47 119.66 120.42 2hde s GLN 128 Ca 0.75 -1.34 -0.33 0.00 -1.95 0.00 0.00 55.36 52.49 2hde s GLN 128 Cb -0.34 0.25 -0.13 0.00 -0.22 0.00 0.00 33.01 32.57 2hde s GLN 128 CO 0.39 -0.24 1.65 -0.89 -0.25 0.00 0.00 175.29 175.95 2hde n ILE 129 N -0.05 0.07 0.00 1.08 5.41 -1.26 -1.24 119.36 123.37 2hde n ILE 129 Ca -0.08 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2hde n ILE 129 Cb 0.63 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 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 3.68 1.75 3.77 7.39 0.00 -1.26 -5.05 105.19 115.46 2hde n GLY 130 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.87 5.16 -0.48 1.61 1.11 -0.37 -4.90 116.67 116.93 2hde s ASP 131 Ca 0.00 2.09 -0.21 0.00 0.18 0.00 0.00 52.55 54.61 2hde s ASP 131 Cb 0.00 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.46 2hde s ASP 131 CO 0.00 -1.60 0.67 -0.31 1.18 0.00 0.00 175.17 175.12 2hde s TYR 132 N -2.15 3.02 -0.28 4.23 2.02 -1.26 -4.39 117.35 118.55 2hde s TYR 132 Ca 0.69 -0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 57.07 2hde s TYR 132 Cb -0.22 -3.50 -0.04 0.00 -0.40 0.00 0.00 41.96 37.79 2hde s TYR 132 CO 0.38 -0.99 0.16 -1.17 -1.57 0.00 0.00 175.55 172.36 2hde s LEU 133 N 2.89 3.90 -0.21 -1.29 1.98 -1.12 -2.74 118.68 122.10 2hde s LEU 133 Ca 0.21 -0.11 -0.08 0.00 -2.89 0.00 0.00 54.13 51.26 2hde s LEU 133 Cb -0.16 -2.06 -0.04 0.00 0.66 0.00 0.00 46.19 44.59 2hde s LEU 133 CO 0.17 -0.06 0.09 -0.62 -1.89 0.00 0.00 176.35 174.03 2hde s ASP 134 N 1.71 5.63 -0.32 3.68 -1.08 0.16 -1.82 116.67 124.63 2hde s ASP 134 Ca 0.07 0.01 -0.08 0.00 -0.52 0.00 0.00 52.55 52.03 2hde s ASP 134 Cb -0.16 -1.99 0.02 0.00 -1.46 0.00 0.00 42.92 39.33 2hde s ASP 134 CO 0.09 0.09 0.12 -0.63 0.52 0.00 0.00 175.17 175.35 2hde s ILE 135 N 0.87 4.11 -0.66 4.11 1.09 0.17 -0.79 121.20 130.10 2hde s ILE 135 Ca 0.05 -0.77 -0.24 0.00 -1.10 0.00 0.00 60.65 58.59 2hde s ILE 135 Cb -0.13 -3.19 0.05 0.00 -1.06 0.00 0.00 42.46 38.13 2hde s ILE 135 CO 0.03 -0.02 1.05 0.00 -0.10 0.00 0.00 174.94 175.89 2hde s ALA 136 N 1.50 3.02 -0.06 9.38 0.00 0.95 -2.80 121.76 133.75 2hde s ALA 136 Ca 0.02 -1.61 -0.26 0.00 0.00 0.00 0.00 51.96 50.11 2hde s ALA 136 Cb -0.18 -3.95 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2hde s ALA 136 CO 0.04 -2.86 0.83 0.42 0.00 0.00 0.00 175.76 174.19 2hde s ILE 137 N 4.52 4.95 -0.63 0.00 1.01 0.30 -0.20 121.20 131.14 2hde s ILE 137 Ca 0.27 1.71 0.05 0.00 0.00 0.00 0.00 60.65 62.69 2hde s ILE 137 Cb -0.14 -4.16 0.19 0.00 0.01 0.00 0.00 42.46 38.36 2hde s ILE 137 CO 0.13 0.17 0.51 0.41 0.00 0.00 0.00 174.94 176.17 2hde n THR 138 N 4.00 1.16 -0.50 2.92 -1.04 0.78 -3.10 114.28 118.51 2hde n THR 138 Ca 0.03 -4.64 -0.30 0.00 -2.04 0.00 0.00 64.05 57.10 2hde n THR 138 Cb 0.51 -2.07 0.27 0.00 -1.82 0.00 0.00 70.33 67.22 2hde n THR 138 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2hde s PRO 139 N -1.37 -2.25 -1.23 -2.82 0.02 -1.26 -1.90 135.00 124.19 2hde s PRO 139 Ca 0.29 0.29 -0.20 0.00 0.02 0.00 0.00 61.00 61.40 2hde s PRO 139 Cb 0.02 -1.44 0.01 0.00 0.02 0.00 0.00 34.50 33.10 2hde s PRO 139 CO -0.15 -4.47 1.79 -1.25 -0.33 0.00 0.00 177.00 172.60 2hde s PRO 140 N -4.95 3.42 0.00 5.54 0.04 -1.24 -4.24 135.00 133.56 2hde s PRO 140 Ca 0.69 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 60.13 2hde s PRO 140 Cb -0.16 -5.41 0.00 0.00 0.04 0.00 0.00 34.50 28.97 2hde s PRO 140 CO 0.59 -2.86 0.00 0.09 0.04 0.00 0.00 177.00 174.86 2hde n ASN 141 N 10.59 0.86 -0.00 6.66 3.02 -1.26 -4.87 115.26 130.26 2hde n ASN 141 Ca 0.46 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 55.05 2hde n ASN 141 Cb 0.47 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 2hde n ASN 141 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2hde n ARG 142 N -1.73 3.11 -3.42 3.52 0.00 -1.26 -4.86 116.66 112.01 2hde n ARG 142 Ca 0.00 -0.02 -0.44 0.00 -0.00 0.00 0.00 57.85 57.39 2hde n ARG 142 Cb 0.11 -1.00 -0.05 0.00 0.00 0.00 0.00 32.46 31.52 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hde s ALA 143 N -2.05 3.83 0.41 5.13 0.00 -1.26 -4.94 121.76 122.87 2hde s ALA 143 Ca 0.02 -3.06 0.07 0.00 0.00 0.00 0.00 51.96 48.99 2hde s ALA 143 Cb 0.07 -3.23 0.86 0.00 0.00 0.00 0.00 23.12 20.81 2hde s ALA 143 CO 0.38 -2.15 2.06 -1.00 0.00 0.00 0.00 175.76 175.04 2hde h PRO 144 N 7.95 0.53 0.55 0.00 0.13 -1.91 -3.23 132.00 136.01 2hde h PRO 144 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2hde h PRO 144 Cb 1.04 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.06 2hde h PRO 144 CO 0.81 0.36 -0.26 -1.35 -0.23 0.00 0.00 178.00 177.33 2hde h PRO 145 N 0.55 -0.71 -1.02 1.56 0.11 -2.03 -3.10 132.00 127.36 2hde h PRO 145 Ca 0.15 0.05 0.25 0.00 0.11 0.00 0.00 66.00 66.56 2hde h PRO 145 Cb -0.05 0.16 -0.11 0.00 0.11 0.00 0.00 31.00 31.11 2hde h PRO 145 CO -0.03 -0.42 0.63 -1.35 -0.21 0.00 0.00 178.00 176.62 2hde h PRO 146 N -0.88 0.50 -6.83 1.05 0.11 -1.92 -3.40 132.00 120.63 2hde h PRO 146 Ca -0.08 -0.03 -0.48 0.00 0.11 0.00 0.00 66.00 65.53 2hde h PRO 146 Cb 0.62 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2hde h PRO 146 CO 0.12 0.33 0.30 -1.12 -0.21 0.00 0.00 178.00 177.42 2hde s SER 147 N -5.24 7.27 -0.75 -2.05 0.01 -1.17 -4.84 113.70 106.93 2hde s SER 147 Ca -0.10 1.74 -0.18 0.00 1.31 0.00 0.00 55.95 58.73 2hde s SER 147 Cb 0.26 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 64.09 2hde s SER 147 CO 0.80 -0.06 0.85 -0.83 0.41 0.00 0.00 173.24 174.41 2hde s GLY 148 N -1.65 2.02 0.00 3.44 0.00 -1.26 -4.93 107.32 104.94 2hde s GLY 148 Ca 0.49 -2.64 0.29 0.00 0.00 0.00 0.00 44.72 42.86 2hde s GLY 148 CO 0.23 1.64 1.86 0.54 0.00 0.00 0.00 173.10 177.37