#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 2.62 0.42 1.61 0.01 -1.26 -4.96 113.70 112.15 2hde s SER 3 Ca 0.00 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2hde s SER 3 Cb 0.00 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.73 2hde s SER 3 CO 0.00 -0.30 0.00 1.57 0.41 0.00 0.00 173.24 174.92 2hde n HIS 4 N 5.11 -4.30 -3.44 2.43 -0.00 -1.26 -5.12 115.22 108.64 2hde n HIS 4 Ca -0.08 1.37 -0.38 0.00 -0.00 0.00 0.00 57.72 58.63 2hde n HIS 4 Cb 0.48 3.38 -0.06 0.00 -0.00 0.00 0.00 29.99 33.79 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 -1.89 3.99 0.37 1.57 1.00 -1.26 -5.09 119.30 117.99 2hde s MET 5 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 55.69 56.20 2hde s MET 5 Cb 0.00 -3.22 0.07 0.00 0.00 0.00 0.00 34.83 31.68 2hde s MET 5 CO 0.00 0.67 0.51 0.54 0.00 0.00 0.00 175.02 176.74 2hde n ARG 6 N 1.76 0.40 -1.44 2.03 5.12 -1.26 -5.10 116.66 118.18 2hde n ARG 6 Ca -0.13 -1.54 -0.29 0.00 -1.93 0.00 0.00 57.85 53.96 2hde n ARG 6 Cb 0.52 -0.29 0.16 0.00 -1.16 0.00 0.00 32.46 31.70 2hde n ARG 6 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hde s VAL 7 N -1.36 1.94 0.09 1.55 1.01 -1.26 -5.09 120.40 117.28 2hde s VAL 7 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2hde s VAL 7 Cb -0.02 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2hde s VAL 7 CO 0.23 0.00 -0.08 0.28 0.00 0.00 0.00 175.10 175.52 2hde s THR 8 N -3.24 0.80 -1.00 3.92 -1.32 -1.26 -5.05 115.64 108.49 2hde s THR 8 Ca 0.66 -1.69 -0.23 0.00 -1.21 0.00 0.00 61.69 59.23 2hde s THR 8 Cb -0.14 -1.39 -0.13 0.00 -1.51 0.00 0.00 72.50 69.34 2hde s THR 8 CO 0.54 -0.66 1.92 0.00 -2.21 0.00 0.00 174.62 174.22 2hde n GLN 9 N 0.43 1.48 -3.14 7.08 6.02 -1.26 -4.67 117.38 123.33 2hde n GLN 9 Ca -0.15 -2.18 0.04 0.00 -0.01 0.00 0.00 57.00 54.69 2hde n GLN 9 Cb 0.59 -3.40 -0.00 0.00 1.02 0.00 0.00 30.24 28.44 2hde n GLN 9 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2hde s GLU 10 N 6.00 0.48 -0.43 -1.09 2.56 -1.26 -5.09 118.70 119.86 2hde s GLU 10 Ca 0.65 0.29 0.05 0.00 0.00 0.00 0.00 54.97 55.96 2hde s GLU 10 Cb 0.05 0.17 0.19 0.00 2.00 0.00 0.00 34.13 36.54 2hde s GLU 10 CO 0.14 -0.84 0.48 -0.85 -0.56 0.00 0.00 175.26 173.63 2hde n GLU 11 N 5.09 0.37 -3.90 4.30 0.28 -1.26 -5.09 120.64 120.42 2hde n GLU 11 Ca 0.07 -2.87 -0.30 0.00 -0.16 0.00 0.00 57.16 53.90 2hde n GLU 11 Cb 0.56 -1.55 -0.15 0.00 1.43 0.00 0.00 31.44 31.73 2hde n GLU 11 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2hde s ILE 12 N 0.08 1.47 -0.34 3.84 1.01 -1.26 -5.10 121.20 120.91 2hde s ILE 12 Ca 0.33 -1.39 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 2hde s ILE 12 Cb 0.06 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 2hde s ILE 12 CO -0.16 -0.28 0.33 -1.59 0.00 0.00 0.00 174.94 173.24 2hde s LYS 13 N 1.38 3.58 -0.26 2.79 -2.85 -1.26 -5.03 119.74 118.09 2hde s LYS 13 Ca -0.00 -0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 54.49 2hde s LYS 13 Cb -0.18 -3.80 0.09 0.00 -2.06 0.00 0.00 37.83 31.88 2hde s LYS 13 CO -0.10 -0.49 0.11 0.15 0.10 0.00 0.00 175.35 175.12 2hde s LYS 14 N 1.96 0.23 -0.26 1.78 1.02 -1.26 -5.11 119.74 118.10 2hde s LYS 14 Ca 0.11 -0.48 -0.11 0.00 0.02 0.00 0.00 55.97 55.51 2hde s LYS 14 Cb -0.17 -1.42 0.10 0.00 -0.52 0.00 0.00 37.83 35.82 2hde s LYS 14 CO 0.11 -0.93 0.59 -1.83 -0.92 0.00 0.00 175.35 172.37 2hde s GLU 15 N 2.05 0.54 0.23 1.68 -1.05 -1.26 -5.15 118.70 115.74 2hde s GLU 15 Ca 0.07 1.24 -0.30 0.00 -0.15 0.00 0.00 54.97 55.84 2hde s GLU 15 Cb -0.16 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 33.92 2hde s GLU 15 CO -0.29 -0.19 1.18 -1.25 0.95 0.00 0.00 175.26 175.66 2hde s PRO 16 N 2.36 4.53 0.00 -4.83 0.04 -1.26 -4.81 135.00 131.02 2hde s PRO 16 Ca -0.07 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2hde s PRO 16 Cb -0.10 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2hde s PRO 16 CO -0.17 -0.00 0.00 -1.91 0.04 0.00 0.00 177.00 174.95 2hde n GLU 17 N 1.95 0.00 -4.44 4.56 2.13 -1.26 -5.15 120.64 118.44 2hde n GLU 17 Ca 0.02 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 2hde n GLU 17 Cb 0.44 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.05 2hde n GLU 17 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2hde s LYS 18 N -1.50 1.59 0.08 5.31 1.02 -1.26 -5.15 119.74 119.83 2hde s LYS 18 Ca 0.00 -1.67 -0.01 0.00 0.02 0.00 0.00 55.97 54.31 2hde s LYS 18 Cb 0.00 -1.72 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 2hde s LYS 18 CO 0.00 0.34 0.04 -0.35 -0.92 0.00 0.00 175.35 174.46 2hde n PRO 19 N -0.31 -1.58 -2.13 -1.68 -0.04 -1.26 -4.79 135.00 123.22 2hde n PRO 19 Ca -0.08 -0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 62.91 2hde n PRO 19 Cb 0.59 -0.10 -0.03 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.93 3.47 -0.05 0.52 1.09 -1.26 -4.94 121.20 119.11 2hde s ILE 20 Ca 0.03 0.34 -0.30 0.00 -1.10 0.00 0.00 60.65 59.62 2hde s ILE 20 Cb -0.01 -4.04 -0.07 0.00 -1.06 0.00 0.00 42.46 37.29 2hde s ILE 20 CO 0.03 -0.94 1.83 -1.81 -0.10 0.00 0.00 174.94 173.95 2hde s ASP 21 N 6.92 6.45 0.57 3.58 1.01 -1.26 -4.81 116.67 129.12 2hde s ASP 21 Ca 0.64 2.33 0.39 0.00 0.71 0.00 0.00 52.55 56.63 2hde s ASP 21 Cb -0.13 -2.53 1.50 0.00 1.01 0.00 0.00 42.92 42.77 2hde s ASP 21 CO 0.23 -1.10 1.64 0.03 0.21 0.00 0.00 175.17 176.18 2hde h ARG 22 N 10.56 0.00 0.00 8.23 -0.00 -1.92 0.78 114.38 132.04 2hde h ARG 22 Ca -0.43 0.00 -0.27 0.00 -0.50 0.00 0.00 59.98 58.78 2hde h ARG 22 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.14 2hde h ARG 22 CO 0.95 0.00 -1.83 -1.91 0.00 0.00 0.00 179.97 177.18 2hde n GLU 23 N -3.87 0.56 -0.51 0.04 4.07 -1.26 -4.48 120.64 115.19 2hde n GLU 23 Ca 0.30 0.28 -0.09 0.00 -0.06 0.00 0.00 57.16 57.59 2hde n GLU 23 Cb 1.53 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 31.49 2hde n GLU 23 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2hde n LYS 24 N -4.35 1.59 -1.66 5.31 5.02 -0.88 -4.94 118.16 118.25 2hde n LYS 24 Ca -0.37 -1.26 -0.31 0.00 -2.02 0.00 0.00 58.31 54.35 2hde n LYS 24 Cb 0.72 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.40 4.09 -0.25 -0.18 -1.32 0.27 -4.56 115.64 112.29 2hde s THR 25 Ca 0.24 0.71 -0.07 0.00 -1.21 0.00 0.00 61.69 61.36 2hde s THR 25 Cb 0.20 -3.45 -0.03 0.00 -1.51 0.00 0.00 72.50 67.71 2hde s THR 25 CO 0.05 -0.85 0.07 -0.94 -2.21 0.00 0.00 174.62 170.73 2hde s SER 26 N -3.72 5.10 0.63 8.08 1.04 -1.26 -5.01 113.70 118.56 2hde s SER 26 Ca 0.58 -0.23 -0.18 0.00 0.48 0.00 0.00 55.95 56.61 2hde s SER 26 Cb -0.14 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.05 2hde s SER 26 CO 0.53 -0.04 1.22 -2.84 0.98 0.00 0.00 173.24 173.09 2hde s PRO 27 N 1.61 2.75 0.02 4.02 0.02 -1.26 -4.66 135.00 137.49 2hde s PRO 27 Ca 0.06 1.84 -0.00 0.00 0.02 0.00 0.00 61.00 62.93 2hde s PRO 27 Cb -0.15 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 2hde s PRO 27 CO 0.03 -1.38 -0.02 -0.48 -0.33 0.00 0.00 177.00 174.82 2hde s LEU 28 N -4.33 2.20 -0.09 -5.54 0.05 0.19 -4.86 118.68 106.29 2hde s LEU 28 Ca 0.78 -0.44 -0.30 0.00 0.05 0.00 0.00 54.13 54.22 2hde s LEU 28 Cb -0.31 0.10 -0.04 0.00 -2.05 0.00 0.00 46.19 43.89 2hde s LEU 28 CO 0.37 -0.27 1.51 -0.22 -0.55 0.00 0.00 176.35 177.18 2hde s LEU 29 N -1.31 4.27 -0.04 1.48 2.96 -1.26 -1.88 118.68 122.89 2hde s LEU 29 Ca -0.14 2.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.83 2hde s LEU 29 Cb -0.09 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2hde s LEU 29 CO -0.01 -0.86 -0.07 -0.22 -1.32 0.00 0.00 176.35 173.88 2hde s LEU 30 N 3.74 1.50 -0.07 -0.68 2.96 -0.99 -4.52 118.68 120.63 2hde s LEU 30 Ca 0.66 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 2hde s LEU 30 Cb -0.29 -0.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 2hde s LEU 30 CO 0.24 -0.01 0.94 -0.60 -1.32 0.00 0.00 176.35 175.61 2hde s ARG 31 N 0.69 4.46 0.03 1.98 3.52 -1.26 -2.38 118.95 125.99 2hde s ARG 31 Ca -0.11 1.30 0.06 0.00 -0.13 0.00 0.00 55.73 56.86 2hde s ARG 31 Cb -0.13 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2hde s ARG 31 CO 0.01 -0.18 -0.18 0.14 -0.81 0.00 0.00 175.30 174.28 2hde s VAL 32 N 1.54 1.47 -0.38 7.11 -7.23 -0.82 -2.89 120.40 119.20 2hde s VAL 32 Ca 0.47 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2hde s VAL 32 Cb -0.19 -1.28 0.10 0.00 0.56 0.00 0.00 36.38 35.57 2hde s VAL 32 CO 0.21 0.19 0.14 -0.36 -0.31 0.00 0.00 175.10 174.97 2hde s PHE 33 N -0.74 3.62 -0.25 2.82 0.40 -0.81 0.33 117.98 123.36 2hde s PHE 33 Ca 0.06 -2.56 -0.09 0.00 -0.60 0.00 0.00 56.93 53.74 2hde s PHE 33 Cb -0.08 -3.05 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2hde s PHE 33 CO 0.01 -0.95 0.12 0.95 0.70 0.00 0.00 175.22 176.04 2hde s THR 34 N 1.07 4.77 0.32 0.64 -4.23 -0.69 -0.03 115.64 117.50 2hde s THR 34 Ca 0.08 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.64 2hde s THR 34 Cb -0.21 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.36 2hde s THR 34 CO -0.05 0.32 0.30 0.28 -0.54 0.00 0.00 174.62 174.93 2hde s THR 35 N 1.49 3.79 -0.27 3.99 -1.32 -1.01 -4.57 115.64 117.73 2hde s THR 35 Ca 0.06 -1.33 0.12 0.00 -1.21 0.00 0.00 61.69 59.33 2hde s THR 35 Cb -0.15 -3.26 0.65 0.00 -1.51 0.00 0.00 72.50 68.22 2hde s THR 35 CO 0.06 -0.21 1.63 -3.20 -2.21 0.00 0.00 174.62 170.69 2hde n ASN 36 N -1.37 4.20 0.00 8.08 4.05 -1.26 -2.18 115.26 126.78 2hde n ASN 36 Ca -0.03 -3.24 0.00 0.00 0.45 0.00 0.00 54.58 51.76 2hde n ASN 36 Cb 0.59 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 40.94 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2hde n ASN 37 N -0.40 0.37 -3.70 1.20 5.15 -0.73 -4.47 115.26 112.69 2hde n ASN 37 Ca 0.33 -0.76 -0.28 0.00 -0.60 0.00 0.00 54.58 53.27 2hde n ASN 37 Cb 1.17 0.19 0.03 0.00 -0.53 0.00 0.00 39.78 40.65 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hde n GLY 38 N 0.19 -0.79 2.88 8.20 0.00 0.31 -4.72 105.19 111.27 2hde n GLY 38 Ca 0.00 0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 2hde n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hde s ARG 39 N -5.97 0.43 -0.04 1.61 6.06 -1.26 -4.86 118.95 114.91 2hde s ARG 39 Ca 0.34 -0.00 0.10 0.00 -2.50 0.00 0.00 55.73 53.67 2hde s ARG 39 Cb -0.11 -0.38 0.36 0.00 0.06 0.00 0.00 34.95 34.88 2hde s ARG 39 CO 0.85 -1.05 1.23 -2.39 -2.50 0.00 0.00 175.30 171.44 2hde n HIS 40 N 5.24 0.69 -0.28 5.12 1.44 -1.26 -4.60 115.22 121.57 2hde n HIS 40 Ca 0.01 -0.29 0.01 0.00 -2.01 0.00 0.00 57.72 55.44 2hde n HIS 40 Cb 0.49 -0.10 0.05 0.00 0.12 0.00 0.00 29.99 30.55 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 0.52 0.10 -4.07 -1.40 1.44 -1.26 -4.51 115.22 106.04 2hde n HIS 41 Ca 0.13 0.92 -0.13 0.00 -2.01 0.00 0.00 57.72 56.63 2hde n HIS 41 Cb 0.46 -0.83 -0.12 0.00 0.12 0.00 0.00 29.99 29.62 2hde n HIS 41 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2hde s ARG 42 N -5.78 0.53 0.28 -1.40 1.81 -1.26 -5.03 118.95 108.09 2hde s ARG 42 Ca -0.11 -0.73 0.08 0.00 -1.72 0.00 0.00 55.73 53.25 2hde s ARG 42 Cb 0.17 -0.31 0.40 0.00 -0.45 0.00 0.00 34.95 34.76 2hde s ARG 42 CO 0.55 0.06 1.65 0.00 -0.68 0.00 0.00 175.30 176.87 2hde h MET 43 N 4.56 0.11 -0.45 3.54 -0.00 -1.89 -2.74 114.93 118.07 2hde h MET 43 Ca -0.36 -0.07 0.13 0.00 -0.00 0.00 0.00 59.70 59.41 2hde h MET 43 Cb 1.20 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.79 2hde h MET 43 CO 0.41 0.62 0.34 -0.44 -0.00 0.00 0.00 176.91 177.85 2hde h ASP 44 N 0.09 0.00 -0.09 -0.10 3.32 -1.97 0.34 116.42 118.01 2hde h ASP 44 Ca -0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 2hde h ASP 44 Cb 0.98 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2hde h ASP 44 CO 0.08 0.00 0.12 -0.08 -1.72 0.00 0.00 179.24 177.63 2hde h GLU 45 N 0.00 0.00 -0.58 3.56 4.57 -1.88 -3.39 114.58 116.85 2hde h GLU 45 Ca 0.21 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.54 2hde h GLU 45 Cb 0.89 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.28 2hde h GLU 45 CO -0.00 0.00 -0.15 -0.59 -1.18 0.00 0.00 179.01 177.09 2hde s PHE 46 N -4.58 -1.06 0.00 0.92 -0.12 0.12 -5.02 117.98 108.24 2hde s PHE 46 Ca -0.05 0.71 0.00 0.00 -0.05 0.00 0.00 56.93 57.54 2hde s PHE 46 Cb 0.15 0.22 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 2hde s PHE 46 CO 0.53 -0.61 0.00 -1.13 -0.05 0.00 0.00 175.22 173.96 2hde n SER 47 N 5.29 0.00 -0.05 1.98 3.41 -1.15 -4.85 113.62 118.25 2hde n SER 47 Ca 0.05 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 58.90 2hde n SER 47 Cb 0.55 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 65.11 2hde n SER 47 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2hde h ARG 48 N 0.00 0.00 -1.29 4.33 2.47 -1.85 -3.44 114.38 114.59 2hde h ARG 48 Ca 0.00 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 2hde h ARG 48 Cb 0.00 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2hde h ARG 48 CO 0.00 0.00 -0.11 0.41 0.56 0.00 0.00 179.97 180.83 2hde n GLY 49 N -1.59 0.48 0.00 0.04 0.00 -1.26 -5.00 105.19 97.86 2hde n GLY 49 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2hde n GLY 49 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hde n ASN 50 N 0.95 0.00 -4.67 1.61 4.13 -1.26 -4.99 115.26 111.03 2hde n ASN 50 Ca -0.02 0.03 -0.42 0.00 1.68 0.00 0.00 54.58 55.85 2hde n ASN 50 Cb 0.52 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 2hde n ASN 50 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2hde n VAL 51 N -1.99 2.23 1.90 2.41 0.24 -1.26 -4.87 118.33 117.00 2hde n VAL 51 Ca 0.00 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.92 2hde n VAL 51 Cb 0.00 -1.44 0.69 0.00 -1.47 0.00 0.00 33.84 31.62 2hde n VAL 51 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2hde n PRO 52 N 0.36 0.95 -0.56 7.34 -0.04 -1.26 -2.95 135.00 138.84 2hde n PRO 52 Ca 0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2hde n PRO 52 Cb 0.37 -1.38 0.31 0.00 -0.04 0.00 0.00 33.50 32.76 2hde n PRO 52 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2hde n SER 53 N -0.88 4.42 0.00 3.54 7.64 -1.26 -4.71 113.62 122.37 2hde n SER 53 Ca 0.17 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2hde n SER 53 Cb 0.08 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2hde n SER 53 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2hde n SER 54 N 0.30 0.00 -4.53 6.43 3.41 -1.15 -4.58 113.62 113.49 2hde n SER 54 Ca 0.23 0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.61 2hde n SER 54 Cb 0.90 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.63 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2hde s GLU 55 N -0.21 2.32 0.37 4.33 -1.05 -1.26 -1.71 118.70 121.50 2hde s GLU 55 Ca 0.00 -0.85 0.03 0.00 -0.15 0.00 0.00 54.97 53.99 2hde s GLU 55 Cb 0.00 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.33 2hde s GLU 55 CO 0.00 0.57 0.10 1.47 0.95 0.00 0.00 175.26 178.35 2hde n LEU 56 N 1.50 0.00 -4.34 1.83 -0.00 0.15 -4.94 117.00 111.20 2hde n LEU 56 Ca -0.16 -2.72 -0.31 0.00 -0.00 0.00 0.00 56.01 52.82 2hde n LEU 56 Cb 0.52 0.76 -0.15 0.00 -0.00 0.00 0.00 43.42 44.55 2hde n LEU 56 CO 0.29 -0.41 -0.54 -1.10 -0.00 0.00 0.00 177.39 175.63 2hde s GLN 57 N -3.40 2.28 -0.05 1.47 -1.52 -1.26 -1.94 119.66 115.24 2hde s GLN 57 Ca 0.14 -0.88 -0.02 0.00 -1.95 0.00 0.00 55.36 52.65 2hde s GLN 57 Cb 0.01 -2.14 0.03 0.00 -0.22 0.00 0.00 33.01 30.69 2hde s GLN 57 CO 0.10 0.54 0.08 0.96 -0.25 0.00 0.00 175.29 176.71 2hde s ILE 58 N -0.54 -0.14 -1.27 1.08 -4.36 -1.00 -4.88 121.20 110.09 2hde s ILE 58 Ca 0.08 0.41 -0.17 0.00 -0.26 0.00 0.00 60.65 60.70 2hde s ILE 58 Cb -0.11 -0.18 0.09 0.00 1.25 0.00 0.00 42.46 43.51 2hde s ILE 58 CO 0.00 0.17 1.66 -0.31 0.24 0.00 0.00 174.94 176.70 2hde s TYR 59 N 2.17 2.94 0.40 1.37 1.51 -1.25 -2.34 117.35 122.15 2hde s TYR 59 Ca 0.04 -1.72 0.05 0.00 -1.01 0.00 0.00 57.07 54.43 2hde s TYR 59 Cb -0.12 -4.65 0.05 0.00 -0.11 0.00 0.00 41.96 37.12 2hde s TYR 59 CO -0.04 -1.72 0.40 -2.37 -1.11 0.00 0.00 175.55 170.72 2hde n THR 60 N 6.01 0.00 -4.04 -0.71 5.66 -0.79 -4.33 114.28 116.08 2hde n THR 60 Ca 0.46 -1.47 -0.24 0.00 -3.05 0.00 0.00 64.05 59.74 2hde n THR 60 Cb 0.45 -0.36 -0.17 0.00 -1.55 0.00 0.00 70.33 68.70 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 -1.78 1.19 0.20 1.09 -2.14 -1.26 0.53 118.94 116.77 2hde s TRP 61 Ca 0.30 -0.50 0.10 0.00 2.66 0.00 0.00 56.10 58.67 2hde s TRP 61 Cb -0.02 -1.02 0.70 0.00 -3.10 0.00 0.00 33.47 30.02 2hde s TRP 61 CO 0.19 -0.38 0.86 -1.33 -2.66 0.00 0.00 176.95 173.63 2hde n MET 62 N 4.64 -0.03 -0.78 3.25 2.81 -1.26 0.30 117.12 126.04 2hde n MET 62 Ca -0.15 0.76 -0.15 0.00 -1.81 0.00 0.00 57.70 56.34 2hde n MET 62 Cb 0.50 -1.34 0.11 0.00 -0.71 0.00 0.00 33.22 31.79 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 -4.27 3.52 -4.84 7.83 -0.08 -1.26 0.10 116.55 117.55 2hde n ASP 63 Ca 0.20 -3.02 -0.37 0.00 -1.51 0.00 0.00 54.79 50.09 2hde n ASP 63 Cb 0.67 -0.72 -0.06 0.00 2.34 0.00 0.00 41.12 43.35 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 -2.09 3.64 0.49 -1.67 0.00 0.86 -4.66 121.76 118.33 2hde s ALA 64 Ca 0.36 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.97 2hde s ALA 64 Cb 0.30 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 2hde s ALA 64 CO 0.07 0.47 0.99 0.95 0.00 0.00 0.00 175.76 178.24 2hde s THR 65 N -1.28 4.33 0.47 0.00 -4.23 -1.26 -0.20 115.64 113.47 2hde s THR 65 Ca 0.31 1.26 0.33 0.00 -1.18 0.00 0.00 61.69 62.41 2hde s THR 65 Cb -0.16 -3.61 0.53 0.00 1.34 0.00 0.00 72.50 70.59 2hde s THR 65 CO 0.17 -0.49 1.68 -0.07 -0.54 0.00 0.00 174.62 175.37 2hde h LEU 66 N 1.28 0.19 0.57 4.79 -0.00 0.18 0.12 115.31 122.44 2hde h LEU 66 Ca -0.48 0.08 -0.03 0.00 -0.00 0.00 0.00 57.88 57.45 2hde h LEU 66 Cb 1.19 0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.92 2hde h LEU 66 CO 0.61 -0.07 -0.27 0.50 -0.00 0.00 0.00 178.44 179.21 2hde h LYS 67 N 0.11 -0.73 -0.96 1.13 3.64 -1.72 -2.10 116.57 115.93 2hde h LYS 67 Ca 0.75 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 60.40 2hde h LYS 67 Cb 2.52 0.17 -0.12 0.00 -0.41 0.00 0.00 32.23 34.39 2hde h LYS 67 CO -0.25 -0.48 0.53 0.93 -2.27 0.00 0.00 179.45 177.91 2hde h GLU 68 N -0.78 0.56 0.00 1.90 4.39 -1.08 0.82 114.58 120.40 2hde h GLU 68 Ca -0.08 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2hde h GLU 68 Cb 0.59 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2hde h GLU 68 CO 0.13 0.37 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.05 2hde h LEU 69 N 0.58 0.00 -1.06 1.33 -0.00 -1.32 -1.91 115.31 112.94 2hde h LEU 69 Ca 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.40 2hde h LEU 69 Cb 1.06 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.70 2hde h LEU 69 CO -0.46 0.23 -0.07 0.74 -0.00 0.00 0.00 178.44 178.88 2hde h THR 70 N 0.00 1.23 0.04 0.22 2.02 0.14 -1.98 112.91 114.57 2hde h THR 70 Ca -0.00 -0.98 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 2hde h THR 70 Cb 0.51 1.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2hde h THR 70 CO 0.03 0.33 -0.39 0.77 0.37 0.00 0.00 175.52 176.63 2hde h SER 71 N 0.55 0.27 -0.87 4.18 4.64 -1.11 -3.05 113.55 118.17 2hde h SER 71 Ca 0.11 -0.88 0.19 0.00 -0.47 0.00 0.00 61.79 60.74 2hde h SER 71 Cb 0.46 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.35 2hde h SER 71 CO 0.02 1.12 0.39 -0.07 -0.87 0.00 0.00 176.83 177.43 2hde h LEU 72 N -0.54 0.37 -0.61 5.97 3.38 -1.27 0.26 115.31 122.87 2hde h LEU 72 Ca -0.06 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2hde h LEU 72 Cb 1.22 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2hde h LEU 72 CO 0.07 0.07 0.21 0.58 0.09 0.00 0.00 178.44 179.46 2hde h VAL 73 N 0.46 1.24 -0.20 1.22 2.07 -1.43 -2.91 116.25 116.70 2hde h VAL 73 Ca 0.52 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2hde h VAL 73 Cb 0.91 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2hde h VAL 73 CO -0.47 0.31 -0.07 0.11 0.02 0.00 0.00 177.57 177.46 2hde h LYS 74 N 0.86 -0.04 -0.05 1.57 1.79 -0.39 0.63 116.57 120.94 2hde h LYS 74 Ca 0.20 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 2hde h LYS 74 Cb 0.27 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2hde h LYS 74 CO -0.01 -0.02 0.04 1.05 -1.08 0.00 0.00 179.45 179.43 2hde h GLU 75 N -0.04 0.00 -0.47 3.15 4.11 -1.23 -0.83 114.58 119.27 2hde h GLU 75 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 2hde h GLU 75 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2hde h GLU 75 CO -0.23 0.00 0.00 0.28 0.07 0.00 0.00 179.01 179.13 2hde n VAL 76 N -4.34 0.81 -3.54 -1.06 0.31 -0.53 -4.88 118.33 105.10 2hde n VAL 76 Ca -0.02 -0.91 -0.11 0.00 -0.01 0.00 0.00 64.34 63.30 2hde n VAL 76 Cb 0.14 0.66 -0.10 0.00 -0.91 0.00 0.00 33.84 33.63 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 -1.10 -0.65 -0.03 3.52 6.14 0.21 -5.00 117.35 120.44 2hde s TYR 77 Ca 0.35 1.01 -0.25 0.00 0.64 0.00 0.00 57.07 58.82 2hde s TYR 77 Cb 0.19 0.05 -0.19 0.00 0.42 0.00 0.00 41.96 42.43 2hde s TYR 77 CO 0.25 -0.54 1.16 -1.35 0.64 0.00 0.00 175.55 175.71 2hde h PRO 78 N 8.22 -0.11 -0.14 4.97 0.11 -1.86 -3.18 132.00 140.01 2hde h PRO 78 Ca -0.17 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.99 2hde h PRO 78 Cb 1.13 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2hde h PRO 78 CO 0.19 0.35 0.29 1.49 -0.21 0.00 0.00 178.00 180.11 2hde h GLU 79 N -0.63 0.00 -0.27 1.05 4.57 -1.97 -0.84 114.58 116.50 2hde h GLU 79 Ca -0.01 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 57.99 2hde h GLU 79 Cb 0.51 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2hde h GLU 79 CO 0.02 0.00 -0.55 0.00 -1.18 0.00 0.00 179.01 177.30 2hde h ALA 80 N 1.56 0.51 -0.03 2.92 0.00 -1.89 -2.98 119.26 119.35 2hde h ALA 80 Ca 0.07 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2hde h ALA 80 Cb 0.64 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2hde h ALA 80 CO -0.00 0.68 0.12 0.00 0.00 0.00 0.00 179.25 180.06 2hde h ARG 81 N 0.63 0.00 -6.94 0.00 3.08 -1.23 -3.43 114.38 106.49 2hde h ARG 81 Ca 0.01 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.53 2hde h ARG 81 Cb 1.15 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.30 2hde h ARG 81 CO 0.12 0.00 0.75 0.21 -1.07 0.00 0.00 179.97 179.98 2hde s LYS 82 N -4.24 4.12 0.30 0.04 2.36 -1.13 -4.95 119.74 116.24 2hde s LYS 82 Ca -0.04 2.50 -0.29 0.00 -2.55 0.00 0.00 55.97 55.58 2hde s LYS 82 Cb 0.12 -2.96 -0.10 0.00 -1.05 0.00 0.00 37.83 33.84 2hde s LYS 82 CO 0.40 -0.50 1.22 0.21 1.55 0.00 0.00 175.35 178.24 2hde s LYS 83 N -2.07 4.48 0.00 4.03 2.47 -1.26 -3.09 119.74 124.29 2hde s LYS 83 Ca 0.53 2.03 0.00 0.00 -1.56 0.00 0.00 55.97 56.96 2hde s LYS 83 Cb -0.45 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 2hde s LYS 83 CO 0.61 -0.02 0.00 0.41 0.16 0.00 0.00 175.35 176.51 2hde n GLY 84 N 1.08 0.77 3.54 5.54 0.00 -1.25 -4.74 105.19 110.12 2hde n GLY 84 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.12 4.16 -0.36 2.61 2.01 -1.18 -3.58 115.64 117.17 2hde s THR 85 Ca 0.00 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 2hde s THR 85 Cb 0.00 -4.68 -0.00 0.00 0.01 0.00 0.00 72.50 67.83 2hde s THR 85 CO 0.00 -1.35 0.37 -1.00 -0.69 0.00 0.00 174.62 171.95 2hde s HIS 86 N 4.56 3.20 0.27 4.92 3.76 -0.64 -0.43 115.29 130.93 2hde s HIS 86 Ca 0.34 -0.14 0.10 0.00 -0.15 0.00 0.00 55.06 55.20 2hde s HIS 86 Cb -0.11 -2.71 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 2hde s HIS 86 CO 0.19 -0.50 -0.02 -0.59 -0.85 0.00 0.00 174.74 172.97 2hde s PHE 87 N 2.01 2.64 0.17 1.40 -0.71 0.69 0.34 117.98 124.51 2hde s PHE 87 Ca 0.11 -0.25 0.08 0.00 -1.04 0.00 0.00 56.93 55.83 2hde s PHE 87 Cb -0.17 -1.20 -0.04 0.00 -1.21 0.00 0.00 43.02 40.40 2hde s PHE 87 CO 0.12 0.62 -0.18 1.21 -1.34 0.00 0.00 175.22 175.64 2hde s ASN 88 N -3.66 2.67 -0.12 1.98 3.84 0.30 -0.55 114.94 119.39 2hde s ASN 88 Ca 0.32 -0.87 0.02 0.00 0.21 0.00 0.00 52.86 52.54 2hde s ASN 88 Cb -0.06 -0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.49 2hde s ASN 88 CO 0.19 -0.04 -0.20 -0.36 -2.79 0.00 0.00 177.10 173.90 2hde s PHE 89 N -2.07 2.66 0.31 0.43 0.40 0.15 -0.82 117.98 119.03 2hde s PHE 89 Ca 0.16 -1.08 -0.01 0.00 -0.60 0.00 0.00 56.93 55.40 2hde s PHE 89 Cb -0.06 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.69 2hde s PHE 89 CO 0.07 -0.46 0.42 0.00 0.70 0.00 0.00 175.22 175.95 2hde n ALA 90 N 3.77 -0.23 -3.89 5.36 0.00 -0.31 -1.20 120.51 124.01 2hde n ALA 90 Ca -0.19 -1.45 -0.29 0.00 0.00 0.00 0.00 53.44 51.51 2hde n ALA 90 Cb 0.52 1.17 -0.16 0.00 0.00 0.00 0.00 19.45 20.98 2hde n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hde s ILE 91 N -2.80 1.18 -0.04 0.00 1.01 0.82 -0.26 121.20 121.11 2hde s ILE 91 Ca 0.26 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2hde s ILE 91 Cb -0.01 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.06 2hde s ILE 91 CO 0.19 0.01 -0.05 0.54 0.00 0.00 0.00 174.94 175.63 2hde s VAL 92 N 1.58 0.54 -0.05 2.92 0.11 -0.85 -2.62 120.40 122.03 2hde s VAL 92 Ca -0.02 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.69 2hde s VAL 92 Cb -0.17 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 2hde s VAL 92 CO -0.07 0.21 0.54 0.72 -3.33 0.00 0.00 175.10 173.17 2hde s PHE 93 N 0.72 3.62 -1.01 1.54 -0.12 -1.26 -4.65 117.98 116.82 2hde s PHE 93 Ca -0.10 1.08 -0.23 0.00 -0.05 0.00 0.00 56.93 57.63 2hde s PHE 93 Cb -0.13 -2.57 0.05 0.00 -0.63 0.00 0.00 43.02 39.74 2hde s PHE 93 CO 0.00 0.30 1.44 0.99 -0.05 0.00 0.00 175.22 177.90 2hde s THR 94 N 0.07 3.95 0.02 -4.49 2.01 -1.26 -4.31 115.64 111.63 2hde s THR 94 Ca 0.29 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2hde s THR 94 Cb -0.17 -5.05 0.00 0.00 0.01 0.00 0.00 72.50 67.29 2hde s THR 94 CO 0.15 -1.92 0.00 -0.67 -0.69 0.00 0.00 174.62 171.48 2hde n ASP 95 N 8.80 -0.22 -3.61 3.53 2.03 -1.26 -5.07 116.55 120.75 2hde n ASP 95 Ca 0.32 0.05 -0.01 0.00 0.52 0.00 0.00 54.79 55.67 2hde n ASP 95 Cb 0.51 0.58 -0.01 0.00 -0.72 0.00 0.00 41.12 41.48 2hde n ASP 95 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2hde s VAL 96 N -1.06 0.00 -0.37 5.18 0.11 -1.26 -5.01 120.40 117.99 2hde s VAL 96 Ca 0.00 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2hde s VAL 96 Cb 0.00 -1.34 0.31 0.00 -1.53 0.00 0.00 36.38 33.82 2hde s VAL 96 CO 0.00 0.00 1.26 2.29 -3.33 0.00 0.00 175.10 175.32 2hde n LYS 97 N -0.20 1.94 -0.28 1.54 -0.00 -1.26 -4.60 118.16 115.31 2hde n LYS 97 Ca -0.01 -1.29 -0.06 0.00 -0.00 0.00 0.00 58.31 56.94 2hde n LYS 97 Cb 0.59 -1.62 -0.02 0.00 -0.00 0.00 0.00 35.03 33.99 2hde n LYS 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2hde h ARG 98 N 0.89 -0.13 -0.99 -1.58 9.65 -2.01 0.11 114.38 120.32 2hde h ARG 98 Ca 0.17 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.25 2hde h ARG 98 Cb 1.55 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 30.06 2hde h ARG 98 CO 0.37 -0.09 0.61 -1.00 2.80 0.00 0.00 179.97 182.67 2hde h PRO 99 N -0.13 0.68 0.00 0.20 0.13 -2.05 -3.46 132.00 127.36 2hde h PRO 99 Ca 0.23 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2hde h PRO 99 Cb 0.55 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.53 2hde h PRO 99 CO -0.80 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 177.83 2hde n GLY 100 N -1.37 3.36 2.66 1.56 0.00 0.38 -4.88 105.19 106.89 2hde n GLY 100 Ca 0.22 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 2hde n GLY 100 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2hde n TYR 101 N 0.00 -0.18 0.72 1.61 9.36 -1.26 -5.01 117.16 122.39 2hde n TYR 101 Ca 0.00 -0.57 0.11 0.00 3.32 0.00 0.00 57.90 60.76 2hde n TYR 101 Cb 0.00 1.05 0.07 0.00 -0.63 0.00 0.00 39.34 39.83 2hde n TYR 101 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2hde n ARG 102 N 1.35 0.19 -2.78 2.98 0.63 -1.26 -4.91 116.66 112.86 2hde n ARG 102 Ca -0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 2hde n ARG 102 Cb 0.72 -1.57 -0.06 0.00 0.45 0.00 0.00 32.46 32.01 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2hde s VAL 103 N -3.13 4.16 0.09 5.15 0.11 -1.26 -4.95 120.40 120.58 2hde s VAL 103 Ca 0.06 2.04 -0.23 0.00 -2.93 0.00 0.00 61.98 60.92 2hde s VAL 103 Cb 0.15 -4.31 0.06 0.00 -1.53 0.00 0.00 36.38 30.76 2hde s VAL 103 CO 0.78 0.48 0.56 -1.59 -3.33 0.00 0.00 175.10 172.00 2hde s LYS 104 N -1.03 1.15 0.05 1.54 -2.85 -1.08 -4.97 119.74 112.55 2hde s LYS 104 Ca 0.41 -0.32 0.01 0.00 -1.00 0.00 0.00 55.97 55.07 2hde s LYS 104 Cb -0.25 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2hde s LYS 104 CO 0.31 -0.45 0.13 -2.00 0.10 0.00 0.00 175.35 173.44 2hde s GLU 105 N -2.99 3.15 -0.01 1.78 -6.30 -1.26 -0.13 118.70 112.93 2hde s GLU 105 Ca -0.02 -0.53 0.05 0.00 -2.50 0.00 0.00 54.97 51.97 2hde s GLU 105 Cb -0.00 -2.89 -0.08 0.00 0.00 0.00 0.00 34.13 31.15 2hde s GLU 105 CO -0.06 0.61 0.11 0.44 0.02 0.00 0.00 175.26 176.37 2hde n ILE 106 N 0.61 0.05 0.00 -3.70 -6.64 -0.34 -4.95 119.36 104.38 2hde n ILE 106 Ca -0.09 -0.14 0.00 0.00 -1.77 0.00 0.00 62.75 60.75 2hde n ILE 106 Cb 0.52 0.19 0.00 0.00 -1.44 0.00 0.00 39.64 38.91 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 1.88 3.16 3.28 0.00 -1.17 -4.99 105.19 109.61 2hde n GLY 107 Ca -0.02 -0.58 -0.25 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 2.08 0.00 1.61 1.04 -1.26 0.29 113.70 117.46 2hde s SER 108 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2hde s SER 108 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2hde s SER 108 CO 0.00 0.20 0.00 0.35 0.98 0.00 0.00 173.24 174.77 2hde n THR 109 N 2.76 0.00 -3.62 2.02 -2.24 0.28 -4.69 114.28 108.79 2hde n THR 109 Ca -0.15 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 2hde n THR 109 Cb 0.54 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 2hde n THR 109 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2hde n MET 110 N 0.00 0.74 -2.96 -0.78 0.00 -1.26 -0.22 117.12 112.64 2hde n MET 110 Ca 0.00 -1.49 -0.44 0.00 0.00 0.00 0.00 57.70 55.77 2hde n MET 110 Cb 0.00 1.88 -0.03 0.00 0.00 0.00 0.00 33.22 35.08 2hde n MET 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2hde s SER 111 N -2.56 6.56 0.00 3.17 0.15 0.42 -4.09 113.70 117.36 2hde s SER 111 Ca 0.13 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 54.84 2hde s SER 111 Cb -0.03 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2hde s SER 111 CO 0.08 -1.08 0.00 0.61 1.20 0.00 0.00 173.24 174.05 2hde n GLY 112 N 5.35 1.53 3.03 9.45 0.00 -1.26 -3.82 105.19 119.47 2hde n GLY 112 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.28 0.44 -0.56 1.61 3.52 -1.26 -5.07 118.95 117.35 2hde s ARG 113 Ca 0.00 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2hde s ARG 113 Cb 0.00 0.16 0.14 0.00 -1.56 0.00 0.00 34.95 33.69 2hde s ARG 113 CO 0.00 -0.08 0.32 0.21 -0.81 0.00 0.00 175.30 174.94 2hde s LYS 114 N -2.44 2.14 0.00 5.12 2.20 -1.26 -4.55 119.74 120.95 2hde s LYS 114 Ca -0.07 -2.67 0.00 0.00 -0.36 0.00 0.00 55.97 52.87 2hde s LYS 114 Cb -0.03 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 2hde s LYS 114 CO -0.05 -1.13 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 2hde n GLY 115 N 3.08 -1.34 0.11 5.54 0.00 -1.26 -4.94 105.19 106.38 2hde n GLY 115 Ca 0.07 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 2hde n GLY 115 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2hde h THR 116 N -1.00 1.29 0.00 2.61 2.02 -1.99 -3.25 112.91 112.59 2hde h THR 116 Ca 0.00 -2.71 -0.18 0.00 0.77 0.00 0.00 66.41 64.29 2hde h THR 116 Cb 0.00 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 2hde h THR 116 CO 0.00 0.71 -0.95 0.44 0.37 0.00 0.00 175.52 176.09 2hde h ASP 117 N 0.00 0.00 -0.87 4.18 3.32 -1.94 -3.33 116.42 117.78 2hde h ASP 117 Ca -0.01 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.26 2hde h ASP 117 Cb 1.51 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.93 2hde h ASP 117 CO 0.09 0.81 0.31 -0.78 -1.72 0.00 0.00 179.24 177.95 2hde h ASP 118 N 0.00 0.17 0.69 6.45 3.58 -1.83 0.87 116.42 126.35 2hde h ASP 118 Ca -0.05 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2hde h ASP 118 Cb 1.66 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.90 2hde h ASP 118 CO 0.10 -0.06 0.00 -1.54 -2.88 0.00 0.00 179.24 174.85 2hde n SER 119 N -5.13 0.00 -4.87 2.28 3.41 -1.25 -2.09 113.62 105.97 2hde n SER 119 Ca 0.21 0.45 -0.31 0.00 -0.26 0.00 0.00 58.87 58.96 2hde n SER 119 Cb 0.64 -0.48 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2hde n SER 119 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2hde s MET 120 N -2.96 3.40 0.22 4.33 0.00 0.30 -4.78 119.30 119.81 2hde s MET 120 Ca 0.11 0.70 0.09 0.00 0.00 0.00 0.00 55.69 56.59 2hde s MET 120 Cb 0.14 -2.06 -0.04 0.00 0.00 0.00 0.00 34.83 32.86 2hde s MET 120 CO 0.38 -0.70 -0.03 0.95 0.00 0.00 0.00 175.02 175.61 2hde s THR 121 N -3.21 3.43 0.10 10.11 -4.23 -1.26 0.14 115.64 120.72 2hde s THR 121 Ca 0.56 -1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 59.15 2hde s THR 121 Cb -0.11 -2.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.88 2hde s THR 121 CO 0.54 -0.23 1.68 -0.07 -0.54 0.00 0.00 174.62 175.99 2hde h LEU 122 N 2.39 0.26 -1.27 4.79 3.38 -0.65 -2.61 115.31 121.61 2hde h LEU 122 Ca -0.46 -0.11 0.24 0.00 0.09 0.00 0.00 57.88 57.65 2hde h LEU 122 Cb 1.22 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.81 2hde h LEU 122 CO 0.58 0.30 0.64 0.06 0.09 0.00 0.00 178.44 180.11 2hde h GLN 123 N 0.20 0.47 0.00 1.13 3.07 0.39 0.97 115.11 121.35 2hde h GLN 123 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2hde h GLN 123 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2hde h GLN 123 CO -0.01 0.31 0.00 0.45 0.09 0.00 0.00 178.83 179.67 2hde n SER 124 N -4.68 0.52 -1.25 0.06 2.88 -0.99 -2.23 113.62 107.94 2hde n SER 124 Ca 0.25 0.63 0.05 0.00 -1.33 0.00 0.00 58.87 58.47 2hde n SER 124 Cb 0.79 -0.74 0.24 0.00 -0.75 0.00 0.00 64.21 63.75 2hde n SER 124 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hde n GLN 125 N -2.08 3.12 -1.42 -1.46 1.13 0.34 -4.87 117.38 112.14 2hde n GLN 125 Ca 0.02 -1.85 -0.15 0.00 -1.94 0.00 0.00 57.00 53.09 2hde n GLN 125 Cb 0.21 -1.85 -0.06 0.00 0.11 0.00 0.00 30.24 28.64 2hde n GLN 125 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2hde n LYS 126 N 0.46 -1.48 -1.71 -1.09 4.01 -0.95 -4.96 118.16 112.45 2hde n LYS 126 Ca 0.16 1.00 -0.30 0.00 -0.51 0.00 0.00 58.31 58.66 2hde n LYS 126 Cb 0.74 -5.35 0.05 0.00 -0.51 0.00 0.00 35.03 29.97 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 -2.31 3.20 0.16 2.13 5.36 -1.23 -5.08 117.98 120.21 2hde s PHE 127 Ca 0.00 1.23 -0.10 0.00 -0.96 0.00 0.00 56.93 57.10 2hde s PHE 127 Cb 0.00 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 39.72 2hde s PHE 127 CO 0.00 -1.25 0.29 -1.14 -1.46 0.00 0.00 175.22 171.66 2hde s GLN 128 N -5.18 1.15 -0.29 10.12 0.74 -1.26 -4.75 119.66 120.18 2hde s GLN 128 Ca 0.58 -1.14 -0.28 0.00 0.05 0.00 0.00 55.36 54.57 2hde s GLN 128 Cb -0.13 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 2hde s GLN 128 CO 0.54 -0.42 1.93 0.42 -0.55 0.00 0.00 175.29 177.20 2hde s ILE 129 N -3.95 3.33 0.00 -2.34 1.01 -1.26 -1.60 121.20 116.39 2hde s ILE 129 Ca 0.16 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2hde s ILE 129 Cb 0.03 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2hde s ILE 129 CO -0.01 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.25 2hde n GLY 130 N 5.53 1.75 3.71 6.18 0.00 -1.26 -5.10 105.19 116.00 2hde n GLY 130 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.84 3.53 -0.53 1.61 1.11 -0.62 -4.85 116.67 115.08 2hde s ASP 131 Ca 0.00 2.04 -0.20 0.00 0.18 0.00 0.00 52.55 54.57 2hde s ASP 131 Cb 0.00 -2.55 0.06 0.00 1.07 0.00 0.00 42.92 41.50 2hde s ASP 131 CO 0.00 -2.69 0.72 -0.31 1.18 0.00 0.00 175.17 174.06 2hde s TYR 132 N -2.75 2.97 -0.36 4.23 1.51 -1.26 -4.42 117.35 117.27 2hde s TYR 132 Ca 0.65 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 56.15 2hde s TYR 132 Cb -0.21 -3.72 0.00 0.00 -0.11 0.00 0.00 41.96 37.93 2hde s TYR 132 CO 0.57 -1.15 0.23 -1.17 -1.11 0.00 0.00 175.55 172.93 2hde s LEU 133 N 3.01 4.65 -0.23 -1.29 1.98 -1.14 -2.01 118.68 123.65 2hde s LEU 133 Ca 0.19 -0.68 -0.09 0.00 -2.89 0.00 0.00 54.13 50.66 2hde s LEU 133 Cb -0.18 -2.10 -0.04 0.00 0.66 0.00 0.00 46.19 44.53 2hde s LEU 133 CO 0.13 -0.32 0.12 -0.62 -1.89 0.00 0.00 176.35 173.77 2hde s ASP 134 N 1.66 5.77 -0.20 3.68 -1.08 0.64 -1.92 116.67 125.22 2hde s ASP 134 Ca 0.05 0.03 -0.05 0.00 -0.52 0.00 0.00 52.55 52.05 2hde s ASP 134 Cb -0.18 -2.03 -0.03 0.00 -1.46 0.00 0.00 42.92 39.22 2hde s ASP 134 CO 0.09 0.07 0.01 -0.63 0.52 0.00 0.00 175.17 175.23 2hde s ILE 135 N 1.02 4.06 -0.55 4.11 1.09 0.96 -1.16 121.20 130.73 2hde s ILE 135 Ca 0.06 -0.28 -0.16 0.00 -1.10 0.00 0.00 60.65 59.17 2hde s ILE 135 Cb -0.14 -2.84 0.13 0.00 -1.06 0.00 0.00 42.46 38.56 2hde s ILE 135 CO 0.04 0.43 0.52 0.00 -0.10 0.00 0.00 174.94 175.82 2hde s ALA 136 N 0.92 3.66 -0.11 9.38 0.00 -0.00 -2.40 121.76 133.20 2hde s ALA 136 Ca 0.02 -2.56 -0.23 0.00 0.00 0.00 0.00 51.96 49.18 2hde s ALA 136 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2hde s ALA 136 CO 0.02 -2.04 0.71 0.42 0.00 0.00 0.00 175.76 174.87 2hde s ILE 137 N 1.59 5.01 -0.27 0.00 1.01 -0.93 -0.54 121.20 127.07 2hde s ILE 137 Ca 0.04 1.44 -0.00 0.00 0.00 0.00 0.00 60.65 62.12 2hde s ILE 137 Cb -0.29 -4.04 0.05 0.00 0.01 0.00 0.00 42.46 38.18 2hde s ILE 137 CO 0.03 0.19 -0.05 -0.89 0.00 0.00 0.00 174.94 174.21 2hde s THR 138 N 1.24 2.71 0.87 2.92 2.01 0.15 0.12 115.64 125.65 2hde s THR 138 Ca 0.36 -1.36 -0.10 0.00 0.31 0.00 0.00 61.69 60.90 2hde s THR 138 Cb -0.17 -2.51 0.11 0.00 0.01 0.00 0.00 72.50 69.94 2hde s THR 138 CO 0.16 0.00 1.13 -2.16 -0.69 0.00 0.00 174.62 173.06 2hde s PRO 139 N 1.23 1.45 0.39 4.92 0.04 -1.26 -1.63 135.00 140.14 2hde s PRO 139 Ca -0.05 1.40 0.28 0.00 0.04 0.00 0.00 61.00 62.68 2hde s PRO 139 Cb -0.19 -1.79 1.25 0.00 0.04 0.00 0.00 34.50 33.81 2hde s PRO 139 CO -0.03 -2.29 1.85 -1.35 0.04 0.00 0.00 177.00 175.22 2hde h PRO 140 N -1.61 0.00 0.00 0.56 0.11 -1.85 -2.29 132.00 126.92 2hde h PRO 140 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2hde h PRO 140 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2hde h PRO 140 CO 0.45 0.00 -0.33 -2.95 -0.21 0.00 0.00 178.00 174.96 2hde h ASN 141 N 0.00 0.00 -0.48 -2.05 7.08 -1.91 -3.24 115.58 114.98 2hde h ASN 141 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2hde h ASN 141 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 2hde h ASN 141 CO 0.00 0.02 0.00 0.54 -2.08 0.00 0.00 177.43 175.91 2hde n ARG 142 N -2.98 2.72 -3.15 4.14 1.74 -0.88 -4.86 116.66 113.39 2hde n ARG 142 Ca 0.03 -2.26 -0.45 0.00 -0.77 0.00 0.00 57.85 54.39 2hde n ARG 142 Cb 0.55 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 2hde n ARG 142 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hde s ALA 143 N -1.02 3.65 0.15 7.54 0.00 -1.10 -4.93 121.76 126.05 2hde s ALA 143 Ca 0.33 -2.77 -0.28 0.00 0.00 0.00 0.00 51.96 49.24 2hde s ALA 143 Cb 0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2hde s ALA 143 CO 0.23 -2.46 1.57 -1.00 0.00 0.00 0.00 175.76 174.10 2hde h PRO 144 N 8.59 -0.34 -0.34 0.00 0.13 -1.89 -3.09 132.00 135.07 2hde h PRO 144 Ca -0.04 0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.15 2hde h PRO 144 Cb 1.06 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 2hde h PRO 144 CO 0.98 -0.22 -0.33 -1.00 -0.23 0.00 0.00 178.00 177.19 2hde h PRO 145 N -0.35 -0.16 -6.15 1.56 0.13 -1.99 -3.41 132.00 121.63 2hde h PRO 145 Ca 0.12 0.01 -0.74 0.00 -0.87 0.00 0.00 66.00 64.52 2hde h PRO 145 Cb 0.59 0.04 0.04 0.00 0.13 0.00 0.00 31.00 31.80 2hde h PRO 145 CO -0.58 -0.11 0.48 -2.30 -0.23 0.00 0.00 178.00 175.26 2hde n PRO 146 N -4.29 0.74 -3.67 1.56 -0.02 -1.17 -4.93 135.00 123.22 2hde n PRO 146 Ca -0.01 0.27 -0.39 0.00 -2.02 0.00 0.00 63.50 61.35 2hde n PRO 146 Cb 0.19 -1.87 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 2hde n PRO 146 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hde s SER 147 N 1.28 5.47 -0.40 2.55 0.15 -1.26 -4.97 113.70 116.52 2hde s SER 147 Ca 0.91 -0.70 0.09 0.00 0.70 0.00 0.00 55.95 56.95 2hde s SER 147 Cb -1.12 -1.97 0.29 0.00 -1.71 0.00 0.00 66.02 61.51 2hde s SER 147 CO 0.57 -0.24 0.69 0.61 1.20 0.00 0.00 173.24 176.07 2hde n GLY 148 N 4.95 2.55 0.00 9.45 0.00 -1.26 -5.27 105.19 115.62 2hde n GLY 148 Ca -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2hde n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36