#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 0.36 -4.49 1.61 7.64 -1.26 -5.11 113.62 112.37 2hde n SER 3 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 2hde n SER 3 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 2hde n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hde n HIS 4 N -2.25 -0.62 0.00 1.43 -0.00 -1.26 -4.97 115.22 107.56 2hde n HIS 4 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2hde n HIS 4 Cb 0.11 -1.80 0.00 0.00 -0.00 0.00 0.00 29.99 28.30 2hde n HIS 4 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2hde n MET 5 N -3.42 0.00 -0.52 -1.40 2.00 -1.26 -4.79 117.12 107.73 2hde n MET 5 Ca 0.07 0.30 -0.28 0.00 0.00 0.00 0.00 57.70 57.79 2hde n MET 5 Cb 0.54 -1.29 0.21 0.00 0.00 0.00 0.00 33.22 32.68 2hde n MET 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2hde n ARG 6 N -1.40 -2.53 -3.47 0.03 3.00 -1.26 -5.04 116.66 106.00 2hde n ARG 6 Ca 0.00 -0.73 -0.17 0.00 -0.01 0.00 0.00 57.85 56.94 2hde n ARG 6 Cb 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 32.46 30.56 2hde n ARG 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2hde s VAL 7 N -2.21 -0.36 0.04 1.55 -7.23 -1.26 -4.93 120.40 106.00 2hde s VAL 7 Ca 0.56 -0.11 -0.27 0.00 -1.81 0.00 0.00 61.98 60.35 2hde s VAL 7 Cb -0.13 -0.70 0.09 0.00 0.56 0.00 0.00 36.38 36.19 2hde s VAL 7 CO 0.58 -0.20 0.75 0.28 -0.31 0.00 0.00 175.10 176.20 2hde s THR 8 N 2.36 0.00 -0.20 5.32 -1.32 -1.26 -5.15 115.64 115.39 2hde s THR 8 Ca 0.08 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.46 2hde s THR 8 Cb -0.16 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.78 2hde s THR 8 CO -0.13 0.00 0.13 -1.10 -2.21 0.00 0.00 174.62 171.31 2hde s GLN 9 N -2.95 4.15 -0.51 7.08 -0.21 -1.26 -4.99 119.66 120.97 2hde s GLN 9 Ca 0.01 -0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 2hde s GLN 9 Cb -0.01 -3.40 0.22 0.00 1.00 0.00 0.00 33.01 30.82 2hde s GLN 9 CO -0.07 0.32 2.31 -1.91 -2.12 0.00 0.00 175.29 173.82 2hde n GLU 10 N 3.44 2.32 -0.81 2.91 4.07 -1.26 -3.94 120.64 127.38 2hde n GLU 10 Ca -0.16 -2.45 -0.01 0.00 -0.06 0.00 0.00 57.16 54.48 2hde n GLU 10 Cb 0.52 -2.03 -0.01 0.00 -0.06 0.00 0.00 31.44 29.86 2hde n GLU 10 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2hde n GLU 11 N 0.19 0.00 -3.69 5.31 0.28 -1.26 -5.08 120.64 116.38 2hde n GLU 11 Ca 0.46 -0.89 -0.18 0.00 -0.16 0.00 0.00 57.16 56.40 2hde n GLU 11 Cb 0.53 -0.03 -0.17 0.00 1.43 0.00 0.00 31.44 33.21 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 0.00 -0.14 -0.23 3.84 -1.09 -1.25 -5.13 121.20 117.20 2hde s ILE 12 Ca 0.07 0.35 -0.20 0.00 -2.23 0.00 0.00 60.65 58.64 2hde s ILE 12 Cb 0.08 -0.19 -0.02 0.00 -1.58 0.00 0.00 42.46 40.74 2hde s ILE 12 CO -0.03 0.14 0.60 -1.59 -1.23 0.00 0.00 174.94 172.83 2hde s LYS 13 N 1.92 4.14 0.01 2.79 -2.85 -1.26 -5.02 119.74 119.46 2hde s LYS 13 Ca 0.01 0.51 0.03 0.00 -1.00 0.00 0.00 55.97 55.51 2hde s LYS 13 Cb -0.12 -3.62 -0.01 0.00 -2.06 0.00 0.00 37.83 32.02 2hde s LYS 13 CO -0.04 -0.32 -0.08 0.15 0.10 0.00 0.00 175.35 175.16 2hde s LYS 14 N 2.20 0.60 -0.35 1.78 -0.14 -1.26 -5.12 119.74 117.45 2hde s LYS 14 Ca 0.26 -0.44 0.02 0.00 -1.36 0.00 0.00 55.97 54.45 2hde s LYS 14 Cb -0.16 -0.54 0.10 0.00 -1.68 0.00 0.00 37.83 35.56 2hde s LYS 14 CO 0.09 0.14 0.08 -1.21 -0.76 0.00 0.00 175.35 173.69 2hde s GLU 15 N -0.63 1.65 -0.04 1.68 0.41 -1.26 -4.96 118.70 115.54 2hde s GLU 15 Ca -0.00 -1.83 0.04 0.00 -0.41 0.00 0.00 54.97 52.76 2hde s GLU 15 Cb -0.05 -3.29 0.20 0.00 -1.78 0.00 0.00 34.13 29.21 2hde s GLU 15 CO 0.00 -0.95 0.92 -0.35 -0.49 0.00 0.00 175.26 174.39 2hde n PRO 16 N 4.34 1.83 -3.29 0.39 -0.04 -1.26 -4.74 135.00 132.23 2hde n PRO 16 Ca 0.02 -0.77 -0.46 0.00 -0.04 0.00 0.00 63.50 62.25 2hde n PRO 16 Cb 0.42 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 2hde n PRO 16 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hde s GLU 17 N -1.55 3.03 0.11 0.54 8.01 -1.26 -5.05 118.70 122.54 2hde s GLU 17 Ca 0.14 -1.70 0.09 0.00 0.01 0.00 0.00 54.97 53.51 2hde s GLU 17 Cb 0.09 -4.30 -0.04 0.00 -4.31 0.00 0.00 34.13 25.57 2hde s GLU 17 CO 0.06 -1.36 -0.23 0.15 0.01 0.00 0.00 175.26 173.89 2hde s LYS 18 N 1.66 1.24 0.63 1.61 1.02 -1.26 -5.13 119.74 119.50 2hde s LYS 18 Ca 0.05 -1.23 -0.17 0.00 0.02 0.00 0.00 55.97 54.64 2hde s LYS 18 Cb -0.28 -1.59 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 2hde s LYS 18 CO 0.03 0.37 1.15 -1.25 -0.92 0.00 0.00 175.35 174.73 2hde s PRO 19 N -1.95 2.87 -0.10 -1.68 0.04 -1.26 -5.04 135.00 127.89 2hde s PRO 19 Ca 0.09 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 2hde s PRO 19 Cb -0.10 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2hde s PRO 19 CO 0.05 -1.23 0.03 0.42 0.04 0.00 0.00 177.00 176.31 2hde s ILE 20 N -2.02 4.54 -0.04 0.56 1.01 -1.26 -5.07 121.20 118.92 2hde s ILE 20 Ca 0.71 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 2hde s ILE 20 Cb -0.24 -2.93 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 2hde s ILE 20 CO 0.37 0.60 1.59 -0.62 0.00 0.00 0.00 174.94 176.88 2hde s ASP 21 N -0.86 6.71 0.66 3.58 2.15 -1.26 -4.87 116.67 122.77 2hde s ASP 21 Ca 0.13 2.21 0.39 0.00 0.43 0.00 0.00 52.55 55.71 2hde s ASP 21 Cb -0.12 -2.54 2.15 0.00 -0.30 0.00 0.00 42.92 42.12 2hde s ASP 21 CO 0.03 -0.88 2.24 0.03 -0.17 0.00 0.00 175.17 176.42 2hde h ARG 22 N 9.01 0.00 0.00 4.34 -0.00 -1.98 0.44 114.38 126.19 2hde h ARG 22 Ca -0.39 0.00 -0.40 0.00 -0.50 0.00 0.00 59.98 58.69 2hde h ARG 22 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.09 2hde h ARG 22 CO 0.94 0.00 -2.32 0.39 0.00 0.00 0.00 179.97 178.98 2hde n GLU 23 N -3.12 0.57 -0.56 0.04 4.71 -1.26 -4.48 120.64 116.54 2hde n GLU 23 Ca -0.02 0.25 -0.11 0.00 -0.01 0.00 0.00 57.16 57.27 2hde n GLU 23 Cb 0.17 -1.45 0.08 0.00 -1.01 0.00 0.00 31.44 29.23 2hde n GLU 23 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2hde n LYS 24 N -4.24 1.60 -1.56 3.49 4.81 -1.16 -4.95 118.16 116.16 2hde n LYS 24 Ca -0.48 -1.37 -0.32 0.00 -0.87 0.00 0.00 58.31 55.26 2hde n LYS 24 Cb 0.83 -1.55 0.06 0.00 0.02 0.00 0.00 35.03 34.40 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2hde s THR 25 N -1.51 3.48 -0.21 3.15 -1.32 0.14 -4.72 115.64 114.64 2hde s THR 25 Ca 0.26 0.57 -0.06 0.00 -1.21 0.00 0.00 61.69 61.24 2hde s THR 25 Cb 0.22 -3.11 -0.03 0.00 -1.51 0.00 0.00 72.50 68.07 2hde s THR 25 CO 0.05 -0.54 0.04 -0.44 -2.21 0.00 0.00 174.62 171.52 2hde s SER 26 N -3.14 5.14 0.48 8.08 0.01 -1.26 -5.07 113.70 117.93 2hde s SER 26 Ca 0.63 -0.12 -0.22 0.00 1.31 0.00 0.00 55.95 57.54 2hde s SER 26 Cb -0.17 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.09 2hde s SER 26 CO 0.49 0.07 1.18 -2.16 0.41 0.00 0.00 173.24 173.23 2hde s PRO 27 N 0.99 3.66 -0.00 12.44 0.04 -1.26 -4.60 135.00 146.27 2hde s PRO 27 Ca 0.03 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 2hde s PRO 27 Cb -0.14 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 32.04 2hde s PRO 27 CO 0.02 -0.64 0.02 -0.48 0.04 0.00 0.00 177.00 175.96 2hde s LEU 28 N -3.14 1.95 -0.14 -3.56 0.05 0.15 -4.94 118.68 109.05 2hde s LEU 28 Ca 0.65 -0.05 -0.24 0.00 0.05 0.00 0.00 54.13 54.55 2hde s LEU 28 Cb -0.29 0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 43.92 2hde s LEU 28 CO 0.35 -0.07 0.74 -0.22 -0.55 0.00 0.00 176.35 176.60 2hde s LEU 29 N -0.27 4.22 0.15 1.48 2.96 -1.26 -2.07 118.68 123.89 2hde s LEU 29 Ca -0.03 1.10 0.04 0.00 -0.22 0.00 0.00 54.13 55.01 2hde s LEU 29 Cb -0.02 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 2hde s LEU 29 CO -0.00 -0.27 -0.08 -1.48 -1.32 0.00 0.00 176.35 173.20 2hde s LEU 30 N 1.63 2.47 -0.04 -0.68 0.05 -1.09 -4.76 118.68 116.26 2hde s LEU 30 Ca 0.36 -1.04 -0.16 0.00 0.05 0.00 0.00 54.13 53.34 2hde s LEU 30 Cb -0.17 -0.27 -0.05 0.00 -2.05 0.00 0.00 46.19 43.65 2hde s LEU 30 CO 0.14 -0.39 0.43 0.00 -0.55 0.00 0.00 176.35 175.98 2hde s ARG 31 N -3.78 4.08 -0.01 1.48 3.03 -1.26 -2.89 118.95 119.59 2hde s ARG 31 Ca 0.17 0.42 0.01 0.00 2.03 0.00 0.00 55.73 58.37 2hde s ARG 31 Cb 0.04 -3.30 0.00 0.00 -1.03 0.00 0.00 34.95 30.66 2hde s ARG 31 CO 0.00 0.51 -0.04 0.14 -1.13 0.00 0.00 175.30 174.78 2hde s VAL 32 N -0.50 0.39 -0.33 4.99 -7.23 -0.91 -2.82 120.40 113.99 2hde s VAL 32 Ca 0.24 -0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.24 2hde s VAL 32 Cb -0.16 -0.37 0.07 0.00 0.56 0.00 0.00 36.38 36.48 2hde s VAL 32 CO 0.12 0.14 0.05 -0.36 -0.31 0.00 0.00 175.10 174.74 2hde s PHE 33 N 0.21 3.41 -0.20 2.82 0.40 -0.87 0.24 117.98 123.98 2hde s PHE 33 Ca -0.02 -2.18 -0.06 0.00 -0.60 0.00 0.00 56.93 54.08 2hde s PHE 33 Cb -0.06 -2.48 -0.03 0.00 0.51 0.00 0.00 43.02 40.97 2hde s PHE 33 CO -0.00 -0.87 0.02 0.95 0.70 0.00 0.00 175.22 176.01 2hde s THR 34 N 1.17 4.08 0.30 0.64 -4.23 -0.89 0.33 115.64 117.04 2hde s THR 34 Ca -0.00 -0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.30 2hde s THR 34 Cb -0.20 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 2hde s THR 34 CO -0.03 0.42 0.43 0.28 -0.54 0.00 0.00 174.62 175.18 2hde s THR 35 N 1.01 4.51 -0.38 3.99 -1.32 -1.08 -4.77 115.64 117.60 2hde s THR 35 Ca 0.02 -1.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.57 2hde s THR 35 Cb -0.14 -3.57 0.63 0.00 -1.51 0.00 0.00 72.50 67.90 2hde s THR 35 CO 0.02 -0.22 1.77 -3.20 -2.21 0.00 0.00 174.62 170.77 2hde n ASN 36 N -1.55 3.51 0.00 8.08 4.05 -1.25 -1.40 115.26 126.70 2hde n ASN 36 Ca -0.03 -3.60 0.00 0.00 0.45 0.00 0.00 54.58 51.39 2hde n ASN 36 Cb 0.58 -0.76 0.00 0.00 1.23 0.00 0.00 39.78 40.82 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2hde n ASN 37 N -1.01 0.00 -3.76 1.20 2.85 0.13 -4.39 115.26 110.28 2hde n ASN 37 Ca 0.49 -1.00 -0.29 0.00 -0.11 0.00 0.00 54.58 53.67 2hde n ASN 37 Cb 1.44 0.00 0.03 0.00 1.24 0.00 0.00 39.78 42.49 2hde n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hde n GLY 38 N 0.00 -0.72 3.06 8.20 0.00 0.31 -4.67 105.19 111.37 2hde n GLY 38 Ca 0.00 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 2hde n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 39 N -6.15 2.42 -0.08 1.61 1.81 -1.26 -4.85 118.95 112.45 2hde s ARG 39 Ca 0.31 -0.62 0.10 0.00 -1.72 0.00 0.00 55.73 53.80 2hde s ARG 39 Cb -0.11 -2.09 0.43 0.00 -0.45 0.00 0.00 34.95 32.73 2hde s ARG 39 CO 0.87 -0.13 1.26 -2.39 -0.68 0.00 0.00 175.30 174.22 2hde n HIS 40 N 4.42 0.93 0.00 -0.53 1.44 -1.26 -4.74 115.22 115.49 2hde n HIS 40 Ca -0.18 -0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.16 2hde n HIS 40 Cb 0.51 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.42 2hde n HIS 40 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2hde n HIS 41 N 0.53 0.00 -3.61 -1.40 8.25 -1.26 -4.83 115.22 112.90 2hde n HIS 41 Ca 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.54 2hde n HIS 41 Cb 0.61 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 2hde n HIS 41 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2hde s ARG 42 N -1.29 0.38 0.58 -0.41 3.52 -1.26 -5.01 118.95 115.46 2hde s ARG 42 Ca 0.00 0.13 0.30 0.00 -0.13 0.00 0.00 55.73 56.03 2hde s ARG 42 Cb 0.00 0.18 1.41 0.00 -1.56 0.00 0.00 34.95 34.98 2hde s ARG 42 CO 0.00 -0.11 1.79 0.00 -0.81 0.00 0.00 175.30 176.16 2hde h MET 43 N 2.52 0.00 -0.72 5.12 -0.00 -1.87 0.18 114.93 120.17 2hde h MET 43 Ca -0.16 0.00 0.21 0.00 -0.00 0.00 0.00 59.70 59.75 2hde h MET 43 Cb 1.17 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.74 2hde h MET 43 CO 0.26 0.00 0.57 0.22 -0.00 0.00 0.00 176.91 177.97 2hde h ASP 44 N 0.00 0.00 0.15 -0.10 1.82 -1.89 0.50 116.42 116.91 2hde h ASP 44 Ca 0.35 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.87 2hde h ASP 44 Cb 1.71 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.71 2hde h ASP 44 CO -0.00 0.00 -0.41 -0.08 -1.61 0.00 0.00 179.24 177.13 2hde h GLU 45 N 0.00 0.34 -3.39 0.28 4.57 -1.03 -3.41 114.58 111.93 2hde h GLU 45 Ca 0.34 -0.16 -0.43 0.00 -1.18 0.00 0.00 59.36 57.93 2hde h GLU 45 Cb 1.49 -0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 29.68 2hde h GLU 45 CO -0.00 0.70 -0.75 -0.59 -1.18 0.00 0.00 179.01 177.18 2hde s PHE 46 N -4.16 0.37 0.45 0.92 -0.12 0.18 -5.13 117.98 110.48 2hde s PHE 46 Ca -0.05 -0.12 0.06 0.00 -0.05 0.00 0.00 56.93 56.77 2hde s PHE 46 Cb 0.13 -0.68 -0.02 0.00 -0.63 0.00 0.00 43.02 41.82 2hde s PHE 46 CO 0.79 -0.35 0.24 -1.54 -0.05 0.00 0.00 175.22 174.31 2hde s SER 47 N 2.07 4.52 -0.51 1.98 1.04 -1.24 -4.74 113.70 116.82 2hde s SER 47 Ca 0.04 -1.13 -0.27 0.00 0.48 0.00 0.00 55.95 55.06 2hde s SER 47 Cb -0.14 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.82 2hde s SER 47 CO -0.06 -0.72 1.07 -0.60 0.98 0.00 0.00 173.24 173.92 2hde s ARG 48 N -4.02 3.57 0.00 4.02 3.52 -1.26 -3.21 118.95 121.57 2hde s ARG 48 Ca 0.37 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 2hde s ARG 48 Cb 0.01 -3.96 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2hde s ARG 48 CO 0.21 -1.43 0.00 0.41 -0.81 0.00 0.00 175.30 173.68 2hde n GLY 49 N 4.96 1.00 0.11 8.12 0.00 -1.26 -4.99 105.19 113.13 2hde n GLY 49 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2hde n GLY 49 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2hde h ASN 50 N 0.00 0.40 -2.40 1.61 -0.73 -1.97 -3.48 115.58 109.01 2hde h ASN 50 Ca 0.00 -0.47 0.16 0.00 1.87 0.00 0.00 56.30 57.86 2hde h ASN 50 Cb 0.00 -0.13 -0.31 0.00 0.27 0.00 0.00 38.32 38.15 2hde h ASN 50 CO 0.00 1.38 0.71 0.54 -0.37 0.00 0.00 177.43 179.69 2hde s VAL 51 N -2.64 0.00 -0.34 2.57 0.11 -1.26 -5.01 120.40 113.82 2hde s VAL 51 Ca -0.06 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.14 2hde s VAL 51 Cb 0.07 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.07 2hde s VAL 51 CO 0.87 0.00 1.42 -0.81 -3.33 0.00 0.00 175.10 173.25 2hde n PRO 52 N 2.22 0.09 -0.29 1.54 -0.04 -1.26 -0.50 135.00 136.77 2hde n PRO 52 Ca -0.13 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 64.01 2hde n PRO 52 Cb 0.57 -1.88 0.27 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.01 3.22 -0.07 3.54 7.64 -1.26 -4.43 113.62 120.24 2hde n SER 53 Ca -0.01 -1.99 -0.06 0.00 1.01 0.00 0.00 58.87 57.82 2hde n SER 53 Cb 0.09 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.27 1.73 -4.54 6.43 3.41 0.34 -4.84 113.62 117.42 2hde n SER 54 Ca 0.20 0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 59.00 2hde n SER 54 Cb 0.52 -0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 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 -2.41 2.10 0.39 4.33 -1.05 -1.26 -2.10 118.70 118.71 2hde s GLU 55 Ca -0.19 -1.01 0.04 0.00 -0.15 0.00 0.00 54.97 53.66 2hde s GLU 55 Cb 0.03 -2.27 -0.03 0.00 -0.44 0.00 0.00 34.13 31.42 2hde s GLU 55 CO 0.28 0.52 0.14 -0.48 0.95 0.00 0.00 175.26 176.67 2hde s LEU 56 N -1.94 1.95 -0.07 1.83 0.05 0.14 -4.89 118.68 115.74 2hde s LEU 56 Ca 0.19 -1.66 0.02 0.00 0.05 0.00 0.00 54.13 52.73 2hde s LEU 56 Cb -0.11 -0.04 -0.02 0.00 -2.05 0.00 0.00 46.19 43.97 2hde s LEU 56 CO 0.11 -0.92 -0.13 -1.10 -0.55 0.00 0.00 176.35 173.75 2hde s GLN 57 N -3.71 2.76 -0.07 1.48 -1.52 -1.26 -2.15 119.66 115.19 2hde s GLN 57 Ca 0.27 -0.68 -0.01 0.00 -1.95 0.00 0.00 55.36 52.99 2hde s GLN 57 Cb 0.03 -2.46 0.03 0.00 -0.22 0.00 0.00 33.01 30.38 2hde s GLN 57 CO 0.16 0.51 -0.02 0.96 -0.25 0.00 0.00 175.29 176.65 2hde s ILE 58 N -0.44 0.52 -1.18 1.08 -4.36 -1.14 -4.97 121.20 110.72 2hde s ILE 58 Ca 0.05 -0.01 -0.14 0.00 -0.26 0.00 0.00 60.65 60.30 2hde s ILE 58 Cb -0.12 -0.62 0.17 0.00 1.25 0.00 0.00 42.46 43.14 2hde s ILE 58 CO 0.02 0.27 1.39 -0.31 0.24 0.00 0.00 174.94 176.55 2hde s TYR 59 N 1.64 3.49 0.41 1.37 1.51 -1.26 -2.67 117.35 121.84 2hde s TYR 59 Ca 0.00 -2.08 0.03 0.00 -1.01 0.00 0.00 57.07 54.01 2hde s TYR 59 Cb -0.13 -4.29 0.03 0.00 -0.11 0.00 0.00 41.96 37.46 2hde s TYR 59 CO -0.04 -1.39 0.25 -2.37 -1.11 0.00 0.00 175.55 170.88 2hde n THR 60 N 4.64 0.00 -4.12 -0.71 5.66 -0.88 -4.66 114.28 114.21 2hde n THR 60 Ca 0.35 -1.68 -0.27 0.00 -3.05 0.00 0.00 64.05 59.40 2hde n THR 60 Cb 0.43 -0.04 -0.17 0.00 -1.55 0.00 0.00 70.33 69.01 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 -2.12 1.66 0.23 1.09 -2.14 -1.26 0.32 118.94 116.72 2hde s TRP 61 Ca 0.19 -0.81 0.16 0.00 2.66 0.00 0.00 56.10 58.30 2hde s TRP 61 Cb -0.01 -1.29 0.78 0.00 -3.10 0.00 0.00 33.47 29.84 2hde s TRP 61 CO 0.12 -0.49 0.83 -0.12 -2.66 0.00 0.00 176.95 174.63 2hde n MET 62 N 4.61 -0.02 -1.01 3.25 0.00 -1.26 0.33 117.12 123.02 2hde n MET 62 Ca -0.16 0.68 -0.19 0.00 -0.00 0.00 0.00 57.70 58.02 2hde n MET 62 Cb 0.50 -1.31 0.15 0.00 0.00 0.00 0.00 33.22 32.56 2hde n MET 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2hde n ASP 63 N -3.81 3.64 -4.83 6.12 -0.08 -1.26 0.58 116.55 116.90 2hde n ASP 63 Ca 0.21 -3.32 -0.37 0.00 -1.51 0.00 0.00 54.79 49.80 2hde n ASP 63 Cb 0.81 -0.78 -0.06 0.00 2.34 0.00 0.00 41.12 43.43 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 -2.72 3.62 0.40 -1.67 0.00 1.01 -4.72 121.76 117.69 2hde s ALA 64 Ca 0.47 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 2hde s ALA 64 Cb 0.40 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 2hde s ALA 64 CO 0.09 0.45 1.05 0.95 0.00 0.00 0.00 175.76 178.30 2hde s THR 65 N -1.28 3.72 0.54 0.00 -4.23 -1.26 -0.45 115.64 112.68 2hde s THR 65 Ca 0.32 1.30 0.43 0.00 -1.18 0.00 0.00 61.69 62.56 2hde s THR 65 Cb -0.17 -3.67 0.64 0.00 1.34 0.00 0.00 72.50 70.65 2hde s THR 65 CO 0.18 -0.01 1.68 -0.07 -0.54 0.00 0.00 174.62 175.86 2hde h LEU 66 N 2.45 0.02 -0.10 4.79 3.38 0.17 0.50 115.31 126.53 2hde h LEU 66 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2hde h LEU 66 Cb 1.22 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2hde h LEU 66 CO 0.62 -0.01 0.06 0.07 0.09 0.00 0.00 178.44 179.27 2hde h LYS 67 N 0.01 0.13 -0.76 1.13 2.10 -1.61 -0.21 116.57 117.36 2hde h LYS 67 Ca 0.77 -0.01 0.08 0.00 -2.00 0.00 0.00 60.65 59.49 2hde h LYS 67 Cb 3.04 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 34.29 2hde h LYS 67 CO -0.04 0.10 0.50 0.93 -2.00 0.00 0.00 179.45 178.95 2hde h GLU 68 N 0.11 0.74 0.00 0.07 4.39 -0.29 0.13 114.58 119.72 2hde h GLU 68 Ca 0.03 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2hde h GLU 68 Cb 0.01 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2hde h GLU 68 CO -0.01 0.49 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.90 2hde h LEU 69 N 0.76 0.00 -0.97 1.33 -0.00 -1.25 -1.70 115.31 113.49 2hde h LEU 69 Ca 0.34 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 58.12 2hde h LEU 69 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 2hde h LEU 69 CO -0.12 0.36 -0.28 0.74 -0.00 0.00 0.00 178.44 179.14 2hde h THR 70 N 0.00 1.27 0.17 0.22 2.02 0.11 -2.55 112.91 114.14 2hde h THR 70 Ca -0.00 -1.29 -0.31 0.00 0.77 0.00 0.00 66.41 65.57 2hde h THR 70 Cb 0.92 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2hde h THR 70 CO 0.05 0.40 -1.52 -1.28 0.37 0.00 0.00 175.52 173.54 2hde h SER 71 N 0.36 0.57 -0.42 4.18 0.87 -1.28 -2.78 113.55 115.05 2hde h SER 71 Ca 0.05 -0.91 0.07 0.00 -1.23 0.00 0.00 61.79 59.77 2hde h SER 71 Cb 0.68 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.40 2hde h SER 71 CO 0.05 1.69 0.06 -0.07 -0.53 0.00 0.00 176.83 178.03 2hde h LEU 72 N -0.06 -0.04 -0.05 2.23 3.38 -1.28 0.57 115.31 120.05 2hde h LEU 72 Ca -0.30 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2hde h LEU 72 Cb 1.96 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2hde h LEU 72 CO 0.15 0.01 -0.30 0.58 0.09 0.00 0.00 178.44 178.98 2hde h VAL 73 N 0.18 1.45 -0.24 1.22 2.07 -1.61 -2.74 116.25 116.59 2hde h VAL 73 Ca 0.20 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 2hde h VAL 73 Cb 0.26 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2hde h VAL 73 CO -0.29 0.50 0.10 0.50 0.02 0.00 0.00 177.57 178.40 2hde h LYS 74 N -0.25 0.33 -0.03 1.57 3.11 -1.26 0.54 116.57 120.58 2hde h LYS 74 Ca -0.02 -0.03 -0.18 0.00 -2.81 0.00 0.00 60.65 57.60 2hde h LYS 74 Cb 0.97 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.12 2hde h LYS 74 CO 0.06 0.27 -0.77 1.49 -2.81 0.00 0.00 179.45 177.70 2hde h GLU 75 N 0.33 0.25 0.00 1.90 4.81 0.13 -3.18 114.58 118.81 2hde h GLU 75 Ca 0.08 -0.22 -0.22 0.00 -0.13 0.00 0.00 59.36 58.87 2hde h GLU 75 Cb 0.07 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2hde h GLU 75 CO -0.01 0.90 -1.16 -0.24 -0.73 0.00 0.00 179.01 177.77 2hde h VAL 76 N 0.16 1.31 -3.80 0.32 3.04 -1.04 -3.44 116.25 112.81 2hde h VAL 76 Ca -0.03 -3.01 -0.65 0.00 -1.01 0.00 0.00 66.70 62.00 2hde h VAL 76 Cb 1.35 2.63 -0.19 0.00 -2.01 0.00 0.00 31.29 33.08 2hde h VAL 76 CO 0.12 0.75 -0.52 -0.47 -1.01 0.00 0.00 177.57 176.43 2hde s TYR 77 N -2.72 3.21 0.12 3.17 6.14 0.18 -4.99 117.35 122.45 2hde s TYR 77 Ca -0.00 -0.09 -0.17 0.00 0.64 0.00 0.00 57.07 57.45 2hde s TYR 77 Cb 0.09 -2.39 -0.03 0.00 0.42 0.00 0.00 41.96 40.04 2hde s TYR 77 CO 0.81 -0.26 1.62 -1.35 0.64 0.00 0.00 175.55 177.01 2hde h PRO 78 N 8.39 0.54 0.00 4.97 0.11 -1.85 -2.63 132.00 141.52 2hde h PRO 78 Ca -0.34 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hde h PRO 78 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2hde h PRO 78 CO 0.58 0.58 0.00 -1.91 -0.21 0.00 0.00 178.00 177.04 2hde n GLU 79 N -4.64 0.04 0.01 1.05 4.07 -1.26 -2.53 120.64 117.38 2hde n GLU 79 Ca -0.01 0.33 -0.14 0.00 -0.06 0.00 0.00 57.16 57.27 2hde n GLU 79 Cb 0.18 -1.58 -0.14 0.00 -0.06 0.00 0.00 31.44 29.84 2hde n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2hde h ALA 80 N 2.36 0.52 -0.09 4.31 0.00 -1.73 -3.33 119.26 121.30 2hde h ALA 80 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 54.91 53.61 2hde h ALA 80 Cb 0.22 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2hde h ALA 80 CO 0.00 1.38 0.29 0.00 0.00 0.00 0.00 179.25 180.91 2hde h ARG 81 N 0.04 0.00 -6.66 0.00 3.08 -1.37 -3.43 114.38 106.04 2hde h ARG 81 Ca -0.30 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.18 2hde h ARG 81 Cb 2.01 0.00 0.08 0.00 0.08 0.00 0.00 29.97 32.14 2hde h ARG 81 CO 0.11 0.00 0.73 1.63 -1.07 0.00 0.00 179.97 181.36 2hde n LYS 82 N -3.18 2.29 -2.27 0.04 5.02 -1.25 -4.93 118.16 113.87 2hde n LYS 82 Ca -0.00 0.82 -0.39 0.00 -2.02 0.00 0.00 58.31 56.72 2hde n LYS 82 Cb 0.37 -2.53 -0.02 0.00 -0.02 0.00 0.00 35.03 32.83 2hde n LYS 82 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hde s LYS 83 N -0.33 4.15 0.00 1.97 -0.14 -1.26 -3.03 119.74 121.09 2hde s LYS 83 Ca 0.67 1.91 0.00 0.00 -1.36 0.00 0.00 55.97 57.19 2hde s LYS 83 Cb -0.59 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.77 2hde s LYS 83 CO 0.48 -0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 2hde n GLY 84 N 0.71 0.90 3.74 -3.33 0.00 -1.24 -4.80 105.19 101.17 2hde n GLY 84 Ca 0.03 0.00 -0.41 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 -2.64 3.58 -0.22 2.61 2.01 -1.17 -4.15 115.64 115.66 2hde s THR 85 Ca 0.00 1.31 0.02 0.00 0.31 0.00 0.00 61.69 63.33 2hde s THR 85 Cb 0.00 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.72 2hde s THR 85 CO 0.00 0.20 -0.13 -2.28 -0.69 0.00 0.00 174.62 171.72 2hde s HIS 86 N 0.04 2.83 0.21 4.92 2.46 -0.49 0.90 115.29 126.17 2hde s HIS 86 Ca 0.54 -1.89 0.09 0.00 0.47 0.00 0.00 55.06 54.26 2hde s HIS 86 Cb -0.33 -1.82 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 2hde s HIS 86 CO 0.36 -0.81 -0.07 -0.59 -2.47 0.00 0.00 174.74 171.15 2hde s PHE 87 N 1.26 2.63 0.06 3.88 -0.71 0.27 0.32 117.98 125.69 2hde s PHE 87 Ca -0.03 -0.23 0.07 0.00 -1.04 0.00 0.00 56.93 55.71 2hde s PHE 87 Cb -0.17 -1.24 -0.03 0.00 -1.21 0.00 0.00 43.02 40.38 2hde s PHE 87 CO -0.08 0.56 -0.20 0.54 -1.34 0.00 0.00 175.22 174.70 2hde s ASN 88 N -3.13 2.39 -0.20 1.98 4.22 0.14 -0.13 114.94 120.21 2hde s ASN 88 Ca 0.27 -0.56 -0.07 0.00 -2.14 0.00 0.00 52.86 50.36 2hde s ASN 88 Cb -0.08 -0.17 -0.04 0.00 1.28 0.00 0.00 41.25 42.24 2hde s ASN 88 CO 0.17 0.11 0.06 -0.36 -2.04 0.00 0.00 177.10 175.04 2hde s PHE 89 N -0.91 3.19 -0.01 1.54 0.08 0.16 -0.95 117.98 121.08 2hde s PHE 89 Ca 0.06 -0.05 -0.04 0.00 0.12 0.00 0.00 56.93 57.02 2hde s PHE 89 Cb -0.09 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.25 2hde s PHE 89 CO 0.02 0.03 0.08 0.00 -0.10 0.00 0.00 175.22 175.25 2hde s ALA 90 N 0.67 -0.19 -0.32 5.36 0.00 -0.99 -1.49 121.76 124.79 2hde s ALA 90 Ca 0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.70 2hde s ALA 90 Cb -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 2hde s ALA 90 CO 0.02 -0.15 0.50 0.42 0.00 0.00 0.00 175.76 176.55 2hde s ILE 91 N -0.94 5.05 0.10 0.00 -1.09 0.58 0.30 121.20 125.20 2hde s ILE 91 Ca -0.10 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 58.87 2hde s ILE 91 Cb -0.06 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2hde s ILE 91 CO 0.00 -0.09 -0.09 0.68 -1.23 0.00 0.00 174.94 174.21 2hde s VAL 92 N 2.34 0.90 -0.18 2.92 -7.23 -1.01 -1.91 120.40 116.23 2hde s VAL 92 Ca 0.19 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2hde s VAL 92 Cb -0.15 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.38 2hde s VAL 92 CO 0.12 -0.62 -0.17 -0.36 -0.31 0.00 0.00 175.10 173.76 2hde s PHE 93 N -2.66 2.81 0.26 2.82 0.40 -1.26 -4.48 117.98 115.87 2hde s PHE 93 Ca 0.07 -1.46 -0.30 0.00 -0.60 0.00 0.00 56.93 54.63 2hde s PHE 93 Cb -0.01 -1.95 -0.13 0.00 0.51 0.00 0.00 43.02 41.43 2hde s PHE 93 CO -0.01 -0.73 1.37 2.41 0.70 0.00 0.00 175.22 178.96 2hde n THR 94 N 4.60 1.19 -3.82 0.64 -1.04 -1.26 -4.69 114.28 109.89 2hde n THR 94 Ca -0.20 -0.30 -0.09 0.00 -2.04 0.00 0.00 64.05 61.42 2hde n THR 94 Cb 0.50 -1.48 0.02 0.00 -1.82 0.00 0.00 70.33 67.55 2hde n THR 94 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2hde s ASP 95 N 0.15 0.06 -0.16 8.00 2.15 -1.26 -4.95 116.67 120.65 2hde s ASP 95 Ca 0.65 -1.18 -0.19 0.00 0.43 0.00 0.00 52.55 52.26 2hde s ASP 95 Cb -0.63 0.85 -0.16 0.00 -0.30 0.00 0.00 42.92 42.67 2hde s ASP 95 CO 0.52 -1.68 0.31 -0.37 -0.17 0.00 0.00 175.17 173.78 2hde h VAL 96 N 2.00 0.94 0.00 1.11 -1.51 -1.98 -3.42 116.25 113.40 2hde h VAL 96 Ca -0.32 -1.90 -0.08 0.00 -1.23 0.00 0.00 66.70 63.17 2hde h VAL 96 Cb 1.25 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.37 2hde h VAL 96 CO 0.41 0.32 -0.95 0.29 -1.23 0.00 0.00 177.57 176.41 2hde n LYS 97 N -4.56 0.17 -3.62 5.19 4.76 -1.26 -4.86 118.16 113.97 2hde n LYS 97 Ca -0.17 0.07 -0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2hde n LYS 97 Cb 0.46 -0.78 -0.06 0.00 -1.84 0.00 0.00 35.03 32.81 2hde n LYS 97 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2hde s ARG 98 N -2.20 0.24 -0.01 1.97 3.03 -1.26 -4.85 118.95 115.87 2hde s ARG 98 Ca -0.10 0.42 -0.14 0.00 2.03 0.00 0.00 55.73 57.94 2hde s ARG 98 Cb 0.03 0.06 -0.07 0.00 -1.03 0.00 0.00 34.95 33.94 2hde s ARG 98 CO 0.14 -0.05 0.74 -1.35 -1.13 0.00 0.00 175.30 173.64 2hde h PRO 99 N 5.79 -0.47 -0.32 3.89 0.11 -1.93 -3.49 132.00 135.58 2hde h PRO 99 Ca -0.26 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2hde h PRO 99 Cb 1.17 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2hde h PRO 99 CO 0.20 -0.31 0.00 0.41 -0.21 0.00 0.00 178.00 178.09 2hde n GLY 100 N 0.08 1.04 0.02 -0.55 0.00 -1.26 -5.04 105.19 99.48 2hde n GLY 100 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2hde n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hde n TYR 101 N -1.80 0.00 -2.71 1.61 4.01 -1.26 -5.05 117.16 111.96 2hde n TYR 101 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2hde n TYR 101 Cb 0.26 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.33 2hde n TYR 101 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2hde n ARG 102 N -1.42 0.35 -3.74 -0.72 3.00 -1.26 -5.13 116.66 107.74 2hde n ARG 102 Ca 0.00 -1.26 -0.38 0.00 -0.00 0.00 0.00 57.85 56.22 2hde n ARG 102 Cb 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 32.46 31.67 2hde n ARG 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hde s VAL 103 N 0.69 4.08 0.28 5.15 0.11 -1.26 -4.82 120.40 124.62 2hde s VAL 103 Ca 0.27 -0.69 -0.19 0.00 -2.93 0.00 0.00 61.98 58.44 2hde s VAL 103 Cb 0.14 -3.12 0.02 0.00 -1.53 0.00 0.00 36.38 31.88 2hde s VAL 103 CO -0.12 0.05 0.68 -1.59 -3.33 0.00 0.00 175.10 170.80 2hde s LYS 104 N 1.51 1.77 0.17 1.54 0.00 -0.80 -4.96 119.74 118.97 2hde s LYS 104 Ca 0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 55.97 54.82 2hde s LYS 104 Cb -0.17 0.59 -0.07 0.00 0.00 0.00 0.00 37.83 38.17 2hde s LYS 104 CO 0.03 -0.80 0.55 -2.00 0.00 0.00 0.00 175.35 173.13 2hde s GLU 105 N -3.87 3.92 -0.00 1.78 2.12 -1.26 -0.30 118.70 121.08 2hde s GLU 105 Ca 0.13 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.92 2hde s GLU 105 Cb -0.05 -2.84 -0.06 0.00 0.26 0.00 0.00 34.13 31.44 2hde s GLU 105 CO 0.08 0.43 0.08 0.44 -0.54 0.00 0.00 175.26 175.74 2hde n ILE 106 N 0.50 0.00 0.00 -3.70 -6.64 -0.56 -4.95 119.36 104.02 2hde n ILE 106 Ca -0.03 -0.09 0.00 0.00 -1.77 0.00 0.00 62.75 60.85 2hde n ILE 106 Cb 0.52 0.43 0.00 0.00 -1.44 0.00 0.00 39.64 39.15 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 2.27 1.61 3.10 3.28 0.00 -1.16 -5.05 105.19 109.23 2hde n GLY 107 Ca -0.01 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 1.42 0.00 1.61 1.04 -1.26 0.37 113.70 116.88 2hde s SER 108 Ca 0.00 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2hde s SER 108 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2hde s SER 108 CO 0.00 0.03 0.00 0.35 0.98 0.00 0.00 173.24 174.60 2hde n THR 109 N 2.14 0.00 -4.06 2.02 -2.24 0.81 -4.48 114.28 108.47 2hde n THR 109 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 2hde n THR 109 Cb 0.55 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 2hde n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hde s MET 110 N -1.82 1.27 -0.35 -0.78 0.23 -1.26 -0.56 119.30 116.02 2hde s MET 110 Ca 0.00 -1.36 -0.26 0.00 -1.03 0.00 0.00 55.69 53.04 2hde s MET 110 Cb 0.00 0.36 0.01 0.00 -1.53 0.00 0.00 34.83 33.68 2hde s MET 110 CO 0.00 -0.47 0.93 0.45 -2.03 0.00 0.00 175.02 173.90 2hde s SER 111 N -3.05 6.72 0.00 -1.18 0.15 0.26 -3.71 113.70 112.88 2hde s SER 111 Ca 0.26 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2hde s SER 111 Cb 0.03 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2hde s SER 111 CO 0.07 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2hde n GLY 112 N 4.28 0.67 3.48 9.45 0.00 -1.26 -3.61 105.19 118.21 2hde n GLY 112 Ca 0.07 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 2hde n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hde s ARG 113 N -1.99 1.08 -0.52 1.61 0.52 -1.24 -5.02 118.95 113.39 2hde s ARG 113 Ca 0.00 0.06 -0.11 0.00 -0.52 0.00 0.00 55.73 55.16 2hde s ARG 113 Cb 0.00 0.51 0.13 0.00 0.52 0.00 0.00 34.95 36.11 2hde s ARG 113 CO 0.00 -0.37 0.42 0.15 0.02 0.00 0.00 175.30 175.52 2hde s LYS 114 N -1.78 2.71 0.00 3.54 1.02 -1.26 -4.19 119.74 119.77 2hde s LYS 114 Ca -0.08 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.07 2hde s LYS 114 Cb -0.00 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 2hde s LYS 114 CO 0.04 -1.24 0.00 0.41 -0.92 0.00 0.00 175.35 173.64 2hde n GLY 115 N 4.88 -2.58 0.12 -3.33 0.00 -1.26 -4.88 105.19 98.13 2hde n GLY 115 Ca -0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.49 1.02 0.00 2.61 1.35 -1.98 -3.34 112.91 112.08 2hde h THR 116 Ca 0.00 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 2hde h THR 116 Cb 0.00 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 2hde h THR 116 CO 0.00 0.80 -0.50 0.44 -0.25 0.00 0.00 175.52 176.01 2hde h ASP 117 N 0.06 0.00 -1.03 5.36 5.19 -1.93 -3.34 116.42 120.73 2hde h ASP 117 Ca -0.28 -0.11 0.27 0.00 -0.62 0.00 0.00 57.03 56.29 2hde h ASP 117 Cb 2.03 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 41.46 2hde h ASP 117 CO 0.14 0.05 0.69 -0.78 -3.12 0.00 0.00 179.24 176.23 2hde h ASP 118 N 0.00 0.27 0.89 6.45 3.58 -1.82 0.94 116.42 126.72 2hde h ASP 118 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2hde h ASP 118 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2hde h ASP 118 CO 0.00 0.07 0.00 -1.54 -2.88 0.00 0.00 179.24 174.89 2hde n SER 119 N -4.45 0.00 -4.88 2.28 3.41 -1.26 -1.84 113.62 106.89 2hde n SER 119 Ca 0.23 0.48 -0.30 0.00 -0.26 0.00 0.00 58.87 59.02 2hde n SER 119 Cb 0.94 -0.49 0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.99 3.44 0.20 4.33 -2.45 0.32 -4.79 119.30 117.37 2hde s MET 120 Ca 0.13 0.63 0.07 0.00 -1.25 0.00 0.00 55.69 55.27 2hde s MET 120 Cb 0.17 -2.10 -0.04 0.00 1.25 0.00 0.00 34.83 34.11 2hde s MET 120 CO 0.47 -0.62 0.05 0.95 1.05 0.00 0.00 175.02 176.92 2hde s THR 121 N -3.17 3.91 0.11 10.11 -4.23 -1.26 0.15 115.64 121.26 2hde s THR 121 Ca 0.55 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 59.40 2hde s THR 121 Cb -0.11 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 2hde s THR 121 CO 0.53 -0.20 1.76 -0.07 -0.54 0.00 0.00 174.62 176.10 2hde h LEU 122 N 2.32 0.14 -1.78 4.79 3.38 -0.81 -2.30 115.31 121.05 2hde h LEU 122 Ca -0.47 -0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.86 2hde h LEU 122 Cb 1.22 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.87 2hde h LEU 122 CO 0.60 0.10 0.86 0.06 0.09 0.00 0.00 178.44 180.15 2hde h GLN 123 N 0.18 0.10 0.00 1.13 3.07 -0.10 1.29 115.11 120.78 2hde h GLN 123 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.79 2hde h GLN 123 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2hde h GLN 123 CO -0.02 0.07 0.00 0.77 0.09 0.00 0.00 178.83 179.74 2hde h SER 124 N 0.10 0.00 -0.34 0.06 0.02 -1.70 -3.07 113.55 108.63 2hde h SER 124 Ca 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 2hde h SER 124 Cb 2.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.78 2hde h SER 124 CO -0.12 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.57 2hde n GLN 125 N -2.63 2.22 -0.91 3.45 6.02 0.44 -4.88 117.38 121.10 2hde n GLN 125 Ca 0.04 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 2hde n GLN 125 Cb 0.41 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.19 2hde n GLN 125 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2hde n LYS 126 N 0.50 -0.48 -2.24 -1.09 4.01 -1.16 -4.98 118.16 112.72 2hde n LYS 126 Ca 0.13 0.12 -0.41 0.00 -0.51 0.00 0.00 58.31 57.64 2hde n LYS 126 Cb 0.45 -3.62 -0.03 0.00 -0.51 0.00 0.00 35.03 31.31 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 -2.08 3.27 0.44 2.13 5.36 -1.22 -5.03 117.98 120.84 2hde s PHE 127 Ca 0.00 1.38 0.03 0.00 -0.96 0.00 0.00 56.93 57.38 2hde s PHE 127 Cb 0.00 -3.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.11 2hde s PHE 127 CO 0.00 -1.59 0.10 -1.14 -1.46 0.00 0.00 175.22 171.13 2hde s GLN 128 N -0.86 2.03 -0.20 10.12 2.00 -1.26 -4.55 119.66 126.95 2hde s GLN 128 Ca 0.52 -2.26 -0.29 0.00 -2.00 0.00 0.00 55.36 51.33 2hde s GLN 128 Cb -0.36 -0.84 -0.03 0.00 0.80 0.00 0.00 33.01 32.57 2hde s GLN 128 CO 0.43 -0.47 1.69 0.42 -0.50 0.00 0.00 175.29 176.86 2hde s ILE 129 N -3.11 3.59 0.00 -2.34 -1.09 -1.26 -1.88 121.20 115.11 2hde s ILE 129 Ca 0.18 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 2hde s ILE 129 Cb 0.02 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2hde s ILE 129 CO 0.11 -0.25 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 2hde n GLY 130 N 4.73 0.15 3.68 6.18 0.00 -1.26 -5.06 105.19 113.61 2hde n GLY 130 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2hde n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hde n ASP 131 N 0.00 1.37 -4.48 1.61 8.00 -0.79 -4.89 116.55 117.37 2hde n ASP 131 Ca 0.00 0.77 -0.43 0.00 0.71 0.00 0.00 54.79 55.84 2hde n ASP 131 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 41.12 39.53 2hde n ASP 131 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2hde s TYR 132 N -1.56 3.18 -0.20 1.24 1.51 -1.26 -4.40 117.35 115.85 2hde s TYR 132 Ca 0.79 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 56.36 2hde s TYR 132 Cb -0.37 -2.86 -0.05 0.00 -0.11 0.00 0.00 41.96 38.57 2hde s TYR 132 CO 0.44 -0.69 0.10 -0.51 -1.11 0.00 0.00 175.55 173.79 2hde s LEU 133 N 2.09 4.01 -0.33 -1.29 1.43 -1.13 -2.40 118.68 121.06 2hde s LEU 133 Ca 0.11 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2hde s LEU 133 Cb -0.17 -2.03 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2hde s LEU 133 CO 0.13 0.16 0.06 -0.62 0.23 0.00 0.00 176.35 176.31 2hde s ASP 134 N 0.46 4.99 0.21 2.29 -1.08 0.15 -2.05 116.67 121.62 2hde s ASP 134 Ca 0.06 -1.54 -0.09 0.00 -0.52 0.00 0.00 52.55 50.46 2hde s ASP 134 Cb -0.12 -1.74 -0.07 0.00 -1.46 0.00 0.00 42.92 39.53 2hde s ASP 134 CO -0.00 -0.35 0.52 -0.63 0.52 0.00 0.00 175.17 175.23 2hde s ILE 135 N 1.20 4.97 -0.28 4.11 1.01 0.15 -2.36 121.20 130.00 2hde s ILE 135 Ca -0.00 0.44 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2hde s ILE 135 Cb -0.21 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.72 2hde s ILE 135 CO -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 174.94 174.91 2hde s ALA 136 N -1.75 2.01 -0.20 9.38 0.00 -0.12 -2.63 121.76 128.45 2hde s ALA 136 Ca 0.45 -1.68 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 2hde s ALA 136 Cb -0.12 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2hde s ALA 136 CO 0.21 -1.44 0.61 0.42 0.00 0.00 0.00 175.76 175.57 2hde s ILE 137 N 1.36 5.03 -0.34 0.00 1.01 -0.49 -0.69 121.20 127.09 2hde s ILE 137 Ca 0.03 1.15 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 2hde s ILE 137 Cb -0.18 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2hde s ILE 137 CO -0.12 0.12 0.14 -0.89 0.00 0.00 0.00 174.94 174.19 2hde s THR 138 N 1.88 4.21 0.81 2.92 2.01 0.15 0.11 115.64 127.74 2hde s THR 138 Ca 0.28 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 61.27 2hde s THR 138 Cb -0.16 -3.31 0.06 0.00 0.01 0.00 0.00 72.50 69.11 2hde s THR 138 CO 0.10 -0.13 1.03 -0.81 -0.69 0.00 0.00 174.62 174.12 2hde n PRO 139 N 4.91 0.15 0.00 4.92 -0.04 -1.26 -1.40 135.00 142.28 2hde n PRO 139 Ca -0.13 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2hde n PRO 139 Cb 0.46 -2.29 0.55 0.00 -0.04 0.00 0.00 33.50 32.18 2hde n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2hde n PRO 140 N -2.75 0.37 -1.61 0.54 -0.04 -1.26 -3.59 135.00 126.67 2hde n PRO 140 Ca 0.12 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.31 2hde n PRO 140 Cb 0.51 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2hde n PRO 140 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hde n ASN 141 N -1.23 7.27 0.00 3.54 0.23 -1.26 -4.20 115.26 119.61 2hde n ASN 141 Ca 0.11 -3.63 0.00 0.00 -0.53 0.00 0.00 54.58 50.53 2hde n ASN 141 Cb 0.15 -1.08 0.00 0.00 -2.08 0.00 0.00 39.78 36.77 2hde n ASN 141 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2hde n ARG 142 N -0.26 0.00 -0.13 -3.83 0.00 -1.24 -5.15 116.66 106.05 2hde n ARG 142 Ca 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.28 2hde n ARG 142 Cb 0.43 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.98 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 -1.28 -1.76 -2.39 5.13 0.00 -1.25 -4.92 120.51 114.04 2hde n ALA 143 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 2hde n ALA 143 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 2hde n ALA 143 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2hde s PRO 144 N -3.26 4.65 0.66 0.00 0.04 -1.26 -5.05 135.00 130.78 2hde s PRO 144 Ca 0.22 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 2hde s PRO 144 Cb -0.04 -3.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 2hde s PRO 144 CO 0.19 0.15 1.05 -1.25 0.04 0.00 0.00 177.00 177.18 2hde s PRO 145 N 0.25 3.23 0.39 0.56 0.04 -1.26 -4.98 135.00 133.23 2hde s PRO 145 Ca 0.48 0.84 0.19 0.00 0.04 0.00 0.00 61.00 62.55 2hde s PRO 145 Cb -0.23 -2.03 0.75 0.00 0.04 0.00 0.00 34.50 33.03 2hde s PRO 145 CO 0.29 -0.86 1.77 -1.00 0.04 0.00 0.00 177.00 177.24 2hde h PRO 146 N -0.54 0.00 -6.97 0.56 0.13 -2.01 -3.45 132.00 119.73 2hde h PRO 146 Ca -0.44 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2hde h PRO 146 Cb 1.20 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.41 2hde h PRO 146 CO 0.59 0.35 0.56 -1.12 -0.23 0.00 0.00 178.00 178.16 2hde s SER 147 N -6.44 6.21 0.00 1.44 0.01 -1.26 -4.00 113.70 109.66 2hde s SER 147 Ca -0.00 2.52 0.00 0.00 1.31 0.00 0.00 55.95 59.78 2hde s SER 147 Cb 0.11 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2hde s SER 147 CO 0.68 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2hde n GLY 148 N 0.62 2.04 0.78 3.44 0.00 -1.26 -5.19 105.19 105.62 2hde n GLY 148 Ca 0.05 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.52 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86