#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 0.27 0.64 1.61 1.04 -1.26 -5.17 113.70 110.84 2hde s SER 3 Ca 0.00 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 2hde s SER 3 Cb 0.00 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.33 2hde s SER 3 CO 0.00 -0.49 0.98 -2.28 0.98 0.00 0.00 173.24 172.43 2hde s HIS 4 N -2.74 3.26 -0.38 5.02 5.65 -1.26 -5.01 115.29 119.83 2hde s HIS 4 Ca -0.04 0.78 -0.29 0.00 0.25 0.00 0.00 55.06 55.76 2hde s HIS 4 Cb -0.00 -2.89 0.02 0.00 -1.18 0.00 0.00 32.58 28.52 2hde s HIS 4 CO -0.05 -0.99 1.19 -1.64 -0.65 0.00 0.00 174.74 172.60 2hde s MET 5 N -5.14 3.85 0.23 2.88 1.00 -1.26 -4.98 119.30 115.88 2hde s MET 5 Ca 0.56 0.93 -0.18 0.00 0.00 0.00 0.00 55.69 57.00 2hde s MET 5 Cb -0.11 -3.86 0.02 0.00 0.00 0.00 0.00 34.83 30.88 2hde s MET 5 CO 0.47 -1.20 0.58 0.50 0.00 0.00 0.00 175.02 175.37 2hde s ARG 6 N 4.21 1.52 0.83 2.03 3.52 -1.26 -5.18 118.95 124.62 2hde s ARG 6 Ca 0.51 -0.94 -0.07 0.00 -0.13 0.00 0.00 55.73 55.11 2hde s ARG 6 Cb -0.12 0.54 0.17 0.00 -1.56 0.00 0.00 34.95 33.98 2hde s ARG 6 CO 0.25 -0.66 1.14 0.08 -0.81 0.00 0.00 175.30 175.30 2hde s VAL 7 N -3.90 2.04 -0.09 7.11 1.01 -1.26 -5.10 120.40 120.20 2hde s VAL 7 Ca 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2hde s VAL 7 Cb -0.02 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2hde s VAL 7 CO 0.01 0.00 -0.11 0.28 0.00 0.00 0.00 175.10 175.28 2hde s THR 8 N -3.47 1.17 0.67 3.92 -1.32 -1.26 -5.14 115.64 110.22 2hde s THR 8 Ca 0.71 -0.45 -0.11 0.00 -1.21 0.00 0.00 61.69 60.62 2hde s THR 8 Cb -0.04 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.85 2hde s THR 8 CO 0.48 0.37 1.06 -1.10 -2.21 0.00 0.00 174.62 173.22 2hde s GLN 9 N 1.03 3.14 0.54 7.08 -0.21 -1.26 -5.09 119.66 124.89 2hde s GLN 9 Ca -0.07 0.72 0.04 0.00 0.02 0.00 0.00 55.36 56.06 2hde s GLN 9 Cb -0.15 -2.03 0.03 0.00 1.00 0.00 0.00 33.01 31.86 2hde s GLN 9 CO -0.01 -0.90 0.27 -2.00 -2.12 0.00 0.00 175.29 170.53 2hde s GLU 10 N -5.19 2.23 0.33 2.91 2.56 -1.26 -5.16 118.70 115.13 2hde s GLU 10 Ca 0.57 -2.18 -0.01 0.00 0.00 0.00 0.00 54.97 53.34 2hde s GLU 10 Cb -0.12 -1.89 0.01 0.00 2.00 0.00 0.00 34.13 34.13 2hde s GLU 10 CO 0.54 -0.56 0.46 -1.91 -0.56 0.00 0.00 175.26 173.23 2hde n GLU 11 N -1.61 0.66 -3.01 4.30 0.00 -1.26 -5.10 120.64 114.62 2hde n GLU 11 Ca -0.08 -2.67 -0.44 0.00 0.00 0.00 0.00 57.16 53.97 2hde n GLU 11 Cb 0.65 2.55 -0.02 0.00 0.00 0.00 0.00 31.44 34.63 2hde n GLU 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2hde s ILE 12 N -2.81 4.96 -0.26 6.31 -1.09 -1.26 -4.77 121.20 122.28 2hde s ILE 12 Ca 0.28 -1.92 0.17 0.00 -2.23 0.00 0.00 60.65 56.95 2hde s ILE 12 Cb -0.01 -4.74 0.49 0.00 -1.58 0.00 0.00 42.46 36.62 2hde s ILE 12 CO 0.20 -1.43 1.14 1.17 -1.23 0.00 0.00 174.94 174.80 2hde n LYS 13 N 5.87 2.37 -2.75 2.79 3.00 -1.26 -5.05 118.16 123.13 2hde n LYS 13 Ca 0.24 -3.71 -0.43 0.00 -0.00 0.00 0.00 58.31 54.41 2hde n LYS 13 Cb 0.48 -1.81 -0.03 0.00 0.00 0.00 0.00 35.03 33.66 2hde n LYS 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2hde s LYS 14 N -3.62 3.72 -0.10 1.64 3.01 -1.26 -5.01 119.74 118.12 2hde s LYS 14 Ca 0.36 0.47 -0.06 0.00 -1.01 0.00 0.00 55.97 55.73 2hde s LYS 14 Cb 0.36 -3.87 0.04 0.00 -1.01 0.00 0.00 37.83 33.35 2hde s LYS 14 CO -0.01 -1.15 0.25 -2.00 0.51 0.00 0.00 175.35 172.94 2hde s GLU 15 N 3.83 0.23 0.41 1.68 2.12 -1.26 -5.15 118.70 120.55 2hde s GLU 15 Ca 0.41 0.47 -0.24 0.00 0.36 0.00 0.00 54.97 55.97 2hde s GLU 15 Cb -0.10 -0.04 -0.09 0.00 0.26 0.00 0.00 34.13 34.16 2hde s GLU 15 CO 0.24 -0.12 1.09 -1.25 -0.54 0.00 0.00 175.26 174.68 2hde s PRO 16 N 0.92 4.09 0.47 4.30 0.04 -1.26 -5.06 135.00 138.50 2hde s PRO 16 Ca -0.07 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.60 2hde s PRO 16 Cb -0.08 -2.55 0.09 0.00 0.04 0.00 0.00 34.50 32.00 2hde s PRO 16 CO -0.06 -0.23 0.65 -0.85 0.04 0.00 0.00 177.00 176.55 2hde n GLU 17 N -0.09 0.23 -0.96 4.56 0.28 -1.26 -5.08 120.64 118.32 2hde n GLU 17 Ca 0.05 -1.89 -0.30 0.00 -0.16 0.00 0.00 57.16 54.86 2hde n GLU 17 Cb 0.49 -0.40 0.15 0.00 1.43 0.00 0.00 31.44 33.11 2hde n GLU 17 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2hde s LYS 18 N -4.14 1.26 1.27 3.44 1.02 -1.26 -5.01 119.74 116.32 2hde s LYS 18 Ca 0.44 1.21 -0.19 0.00 0.02 0.00 0.00 55.97 57.45 2hde s LYS 18 Cb -0.03 -1.78 0.30 0.00 -0.52 0.00 0.00 37.83 35.80 2hde s LYS 18 CO 0.29 -2.35 0.67 -2.30 -0.92 0.00 0.00 175.35 170.74 2hde n PRO 19 N -4.01 -3.75 -3.05 -1.68 -0.02 -1.26 -4.93 135.00 116.30 2hde n PRO 19 Ca 0.09 -1.11 -0.41 0.00 -2.02 0.00 0.00 63.50 60.05 2hde n PRO 19 Cb 0.53 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 2hde n PRO 19 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2hde s ILE 20 N -2.11 4.95 -0.08 4.25 1.01 -1.26 -5.01 121.20 122.95 2hde s ILE 20 Ca 0.54 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 2hde s ILE 20 Cb -0.10 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 2hde s ILE 20 CO 0.47 0.02 1.61 -0.62 0.00 0.00 0.00 174.94 176.42 2hde s ASP 21 N 1.36 6.67 0.55 3.58 2.15 -1.26 -4.86 116.67 124.86 2hde s ASP 21 Ca 0.29 2.12 0.45 0.00 0.43 0.00 0.00 52.55 55.84 2hde s ASP 21 Cb -0.16 -2.53 1.67 0.00 -0.30 0.00 0.00 42.92 41.60 2hde s ASP 21 CO 0.09 -0.94 1.67 0.03 -0.17 0.00 0.00 175.17 175.84 2hde h ARG 22 N 9.52 0.00 0.00 4.34 -0.00 -1.95 0.70 114.38 126.99 2hde h ARG 22 Ca -0.37 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.98 58.85 2hde h ARG 22 Cb 1.17 -0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.10 2hde h ARG 22 CO 0.96 0.00 -1.58 -1.91 0.00 0.00 0.00 179.97 177.44 2hde n GLU 23 N -4.04 0.55 -0.52 0.04 4.07 -1.26 -4.37 120.64 115.12 2hde n GLU 23 Ca 0.37 0.42 -0.10 0.00 -0.06 0.00 0.00 57.16 57.79 2hde n GLU 23 Cb 1.70 -1.62 0.08 0.00 -0.06 0.00 0.00 31.44 31.55 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 -4.40 1.58 -1.58 5.31 4.76 -0.69 -4.94 118.16 118.20 2hde n LYS 24 Ca -0.35 -1.28 -0.30 0.00 -2.87 0.00 0.00 58.31 53.51 2hde n LYS 24 Cb 0.68 -1.51 0.08 0.00 -1.84 0.00 0.00 35.03 32.43 2hde n LYS 24 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2hde s THR 25 N -1.41 3.39 -0.00 -0.18 -1.32 0.24 -4.57 115.64 111.79 2hde s THR 25 Ca 0.24 0.45 0.01 0.00 -1.21 0.00 0.00 61.69 61.18 2hde s THR 25 Cb 0.20 -3.21 -0.04 0.00 -1.51 0.00 0.00 72.50 67.94 2hde s THR 25 CO 0.05 -0.59 0.04 -0.44 -2.21 0.00 0.00 174.62 171.46 2hde s SER 26 N -3.90 5.36 0.60 8.08 0.01 -1.26 -5.03 113.70 117.56 2hde s SER 26 Ca 0.60 0.06 -0.14 0.00 1.31 0.00 0.00 55.95 57.78 2hde s SER 26 Cb -0.14 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.59 2hde s SER 26 CO 0.54 0.28 1.03 -2.16 0.41 0.00 0.00 173.24 173.34 2hde s PRO 27 N -1.65 3.50 -0.01 12.44 0.04 -1.26 -4.34 135.00 143.72 2hde s PRO 27 Ca 0.21 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 2hde s PRO 27 Cb -0.12 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.37 2hde s PRO 27 CO 0.12 -0.64 0.28 -0.48 0.04 0.00 0.00 177.00 176.32 2hde s LEU 28 N -4.79 0.96 -0.30 -3.56 0.05 0.16 -4.89 118.68 106.32 2hde s LEU 28 Ca 0.58 0.02 -0.29 0.00 0.05 0.00 0.00 54.13 54.49 2hde s LEU 28 Cb -0.12 1.18 0.01 0.00 -2.05 0.00 0.00 46.19 45.21 2hde s LEU 28 CO 0.44 -0.45 1.11 -0.22 -0.55 0.00 0.00 176.35 176.68 2hde s LEU 29 N -1.40 3.96 -0.07 1.48 2.96 -1.26 -2.06 118.68 122.29 2hde s LEU 29 Ca -0.13 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 2hde s LEU 29 Cb -0.05 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2hde s LEU 29 CO 0.03 -0.87 -0.14 -0.22 -1.32 0.00 0.00 176.35 173.83 2hde s LEU 30 N 3.67 1.71 -0.16 -0.68 2.96 -1.04 -4.47 118.68 120.68 2hde s LEU 30 Ca 0.47 -0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 53.78 2hde s LEU 30 Cb -0.14 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 2hde s LEU 30 CO 0.15 0.05 0.87 -0.60 -1.32 0.00 0.00 176.35 175.50 2hde s ARG 31 N 0.62 4.32 -0.05 1.98 3.52 -1.26 -2.51 118.95 125.57 2hde s ARG 31 Ca -0.15 1.10 0.03 0.00 -0.13 0.00 0.00 55.73 56.58 2hde s ARG 31 Cb -0.16 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2hde s ARG 31 CO 0.04 -0.33 -0.15 0.14 -0.81 0.00 0.00 175.30 174.20 2hde s VAL 32 N 2.13 1.25 -0.34 7.11 -7.23 -0.82 -2.80 120.40 119.71 2hde s VAL 32 Ca 0.40 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 2hde s VAL 32 Cb -0.17 -1.10 0.02 0.00 0.56 0.00 0.00 36.38 35.69 2hde s VAL 32 CO 0.13 0.37 0.14 -0.36 -0.31 0.00 0.00 175.10 175.07 2hde s PHE 33 N 0.26 3.22 -0.27 2.82 0.40 -1.02 0.33 117.98 123.72 2hde s PHE 33 Ca -0.07 -1.07 -0.06 0.00 -0.60 0.00 0.00 56.93 55.13 2hde s PHE 33 Cb -0.12 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 41.06 2hde s PHE 33 CO 0.03 -0.64 0.04 0.95 0.70 0.00 0.00 175.22 176.30 2hde s THR 34 N 1.50 3.86 0.29 0.64 -4.23 -0.93 -0.22 115.64 116.56 2hde s THR 34 Ca 0.01 -0.54 0.06 0.00 -1.18 0.00 0.00 61.69 60.04 2hde s THR 34 Cb -0.19 -2.90 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 2hde s THR 34 CO 0.04 0.22 0.42 0.28 -0.54 0.00 0.00 174.62 175.05 2hde s THR 35 N 1.51 4.65 -0.31 3.99 -1.32 -1.09 -4.80 115.64 118.28 2hde s THR 35 Ca 0.04 -0.97 0.10 0.00 -1.21 0.00 0.00 61.69 59.65 2hde s THR 35 Cb -0.16 -3.63 0.66 0.00 -1.51 0.00 0.00 72.50 67.86 2hde s THR 35 CO 0.01 -0.25 1.69 -3.20 -2.21 0.00 0.00 174.62 170.66 2hde n ASN 36 N -1.54 4.13 0.00 8.08 5.15 -1.26 -2.10 115.26 127.71 2hde n ASN 36 Ca -0.04 -3.33 0.00 0.00 -0.60 0.00 0.00 54.58 50.61 2hde n ASN 36 Cb 0.58 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 2hde n ASN 36 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2hde n ASN 37 N -0.50 0.67 -3.49 1.20 5.15 -0.81 -4.38 115.26 113.09 2hde n ASN 37 Ca 0.38 -0.32 -0.21 0.00 -0.60 0.00 0.00 54.58 53.83 2hde n ASN 37 Cb 1.27 0.77 0.06 0.00 -0.53 0.00 0.00 39.78 41.34 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 0.97 -0.83 3.15 8.20 0.00 0.28 -4.70 105.19 112.25 2hde n GLY 38 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 46.02 46.46 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 -5.28 0.50 -0.04 1.61 3.52 -1.26 -4.84 118.95 113.16 2hde s ARG 39 Ca 0.31 0.76 0.10 0.00 -0.13 0.00 0.00 55.73 56.77 2hde s ARG 39 Cb -0.07 0.40 0.37 0.00 -1.56 0.00 0.00 34.95 34.09 2hde s ARG 39 CO 0.79 -0.67 1.24 -2.39 -0.81 0.00 0.00 175.30 173.46 2hde n HIS 40 N 5.42 0.70 -0.30 5.12 1.44 -1.26 -4.55 115.22 121.78 2hde n HIS 40 Ca 0.01 -0.30 0.10 0.00 -2.01 0.00 0.00 57.72 55.52 2hde n HIS 40 Cb 0.53 -0.10 0.21 0.00 0.12 0.00 0.00 29.99 30.75 2hde n HIS 40 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2hde n HIS 41 N 0.54 0.47 -4.30 -1.40 -0.00 -1.26 -4.50 115.22 104.76 2hde n HIS 41 Ca 0.13 1.04 -0.18 0.00 -0.00 0.00 0.00 57.72 58.72 2hde n HIS 41 Cb 0.46 -1.10 -0.10 0.00 -0.00 0.00 0.00 29.99 29.24 2hde n HIS 41 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2hde s ARG 42 N -5.90 1.21 0.29 -1.40 3.00 -1.26 -5.04 118.95 109.84 2hde s ARG 42 Ca -0.12 -1.46 0.10 0.00 -1.00 0.00 0.00 55.73 53.26 2hde s ARG 42 Cb 0.25 -1.03 0.41 0.00 0.00 0.00 0.00 34.95 34.58 2hde s ARG 42 CO 0.67 0.18 1.65 0.52 0.00 0.00 0.00 175.30 178.32 2hde h MET 43 N 2.93 0.02 -0.50 5.12 2.86 -1.91 -2.94 114.93 120.51 2hde h MET 43 Ca -0.39 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.38 2hde h MET 43 Cb 1.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 2hde h MET 43 CO 0.58 0.59 0.48 -0.44 1.06 0.00 0.00 176.91 179.17 2hde h ASP 44 N 0.02 0.00 -0.08 1.22 5.19 -1.96 0.26 116.42 121.07 2hde h ASP 44 Ca -0.01 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2hde h ASP 44 Cb 1.01 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 2hde h ASP 44 CO 0.08 0.00 0.16 -0.33 -3.12 0.00 0.00 179.24 176.02 2hde h GLU 45 N 0.00 0.00 0.00 3.56 4.39 -1.87 -3.43 114.58 117.23 2hde h GLU 45 Ca 0.24 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 2hde h GLU 45 Cb 1.20 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 2hde h GLU 45 CO -0.00 0.00 -0.13 1.97 -1.16 0.00 0.00 179.01 179.69 2hde n PHE 46 N -3.43 -0.80 -3.82 4.33 -1.74 0.90 -4.94 117.46 107.97 2hde n PHE 46 Ca -0.01 -1.31 -0.08 0.00 -0.56 0.00 0.00 57.45 55.49 2hde n PHE 46 Cb 0.25 0.25 0.03 0.00 1.52 0.00 0.00 39.48 41.52 2hde n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2hde s SER 47 N -2.17 0.02 -0.45 5.98 1.04 -1.26 -4.91 113.70 111.95 2hde s SER 47 Ca 0.17 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.48 2hde s SER 47 Cb -0.00 0.81 0.12 0.00 0.10 0.00 0.00 66.02 67.05 2hde s SER 47 CO 0.12 -1.62 0.23 -0.60 0.98 0.00 0.00 173.24 172.35 2hde s ARG 48 N -2.22 2.02 -0.37 4.02 3.00 -1.26 -4.64 118.95 119.50 2hde s ARG 48 Ca 0.16 -2.02 0.00 0.00 -1.00 0.00 0.00 55.73 52.87 2hde s ARG 48 Cb -0.05 -3.53 0.00 0.00 0.00 0.00 0.00 34.95 31.37 2hde s ARG 48 CO 0.11 -1.07 0.00 0.41 0.00 0.00 0.00 175.30 174.74 2hde n GLY 49 N 4.22 0.39 0.13 8.12 0.00 -1.26 -4.95 105.19 111.85 2hde n GLY 49 Ca 0.01 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 1.30 1.99 -4.21 1.61 3.02 -1.26 -4.99 115.26 112.72 2hde n ASN 50 Ca -0.04 0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 2hde n ASN 50 Cb 0.38 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 2hde n ASN 50 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2hde s VAL 51 N -2.50 1.42 -0.33 2.41 -7.23 -1.26 -5.03 120.40 107.88 2hde s VAL 51 Ca -0.32 -1.23 0.27 0.00 -1.81 0.00 0.00 61.98 58.88 2hde s VAL 51 Cb 0.10 -1.28 0.29 0.00 0.56 0.00 0.00 36.38 36.05 2hde s VAL 51 CO 0.61 0.02 1.79 1.55 -0.31 0.00 0.00 175.10 178.75 2hde h PRO 52 N 4.62 0.00 -0.53 4.82 0.13 -1.94 -2.63 132.00 136.48 2hde h PRO 52 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2hde h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hde h PRO 52 CO 0.42 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.62 2hde n SER 53 N -2.48 4.89 0.00 1.44 7.64 -1.26 -4.64 113.62 119.21 2hde n SER 53 Ca 0.02 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.18 2hde n SER 53 Cb 0.26 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2hde n SER 53 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2hde n SER 54 N 0.59 0.00 -4.70 6.43 7.64 -0.99 -4.73 113.62 117.85 2hde n SER 54 Ca 0.25 0.19 -0.31 0.00 1.01 0.00 0.00 58.87 60.01 2hde n SER 54 Cb 0.99 -0.35 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 2hde n SER 54 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2hde s GLU 55 N -0.71 2.65 0.36 1.43 1.03 -1.26 -2.19 118.70 120.01 2hde s GLU 55 Ca 0.00 -0.77 0.03 0.00 0.03 0.00 0.00 54.97 54.26 2hde s GLU 55 Cb 0.00 -2.60 -0.04 0.00 -0.80 0.00 0.00 34.13 30.69 2hde s GLU 55 CO 0.00 0.56 0.10 -0.48 -1.33 0.00 0.00 175.26 174.11 2hde s LEU 56 N -2.19 1.99 -0.08 1.83 2.34 0.15 -4.93 118.68 117.79 2hde s LEU 56 Ca 0.25 -1.54 0.02 0.00 0.06 0.00 0.00 54.13 52.92 2hde s LEU 56 Cb -0.12 -0.16 -0.02 0.00 -0.56 0.00 0.00 46.19 45.33 2hde s LEU 56 CO 0.18 -0.80 -0.12 -1.10 -1.06 0.00 0.00 176.35 173.44 2hde s GLN 57 N -3.81 2.85 -0.05 1.48 -1.52 -1.26 -1.94 119.66 115.41 2hde s GLN 57 Ca 0.30 -0.65 -0.00 0.00 -1.95 0.00 0.00 55.36 53.05 2hde s GLN 57 Cb 0.05 -2.52 0.03 0.00 -0.22 0.00 0.00 33.01 30.35 2hde s GLN 57 CO 0.15 0.51 -0.00 0.96 -0.25 0.00 0.00 175.29 176.65 2hde s ILE 58 N -0.41 0.31 -1.24 1.08 -4.36 -1.05 -4.91 121.20 110.62 2hde s ILE 58 Ca 0.05 0.10 -0.16 0.00 -0.26 0.00 0.00 60.65 60.38 2hde s ILE 58 Cb -0.12 -0.43 0.12 0.00 1.25 0.00 0.00 42.46 43.28 2hde s ILE 58 CO 0.02 0.21 1.57 -0.31 0.24 0.00 0.00 174.94 176.68 2hde s TYR 59 N 1.53 3.14 0.43 1.37 2.02 -1.25 -2.49 117.35 122.10 2hde s TYR 59 Ca -0.02 -1.87 0.04 0.00 -0.37 0.00 0.00 57.07 54.86 2hde s TYR 59 Cb -0.13 -4.53 0.04 0.00 -0.40 0.00 0.00 41.96 36.95 2hde s TYR 59 CO -0.03 -1.60 0.37 -2.37 -1.57 0.00 0.00 175.55 170.35 2hde n THR 60 N 5.50 0.00 -3.98 -0.71 5.66 -0.88 -4.47 114.28 115.40 2hde n THR 60 Ca 0.42 -1.66 -0.24 0.00 -3.05 0.00 0.00 64.05 59.52 2hde n THR 60 Cb 0.45 -0.21 -0.17 0.00 -1.55 0.00 0.00 70.33 68.85 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 -2.06 1.13 0.23 1.09 -2.14 -1.26 0.38 118.94 116.31 2hde s TRP 61 Ca 0.28 -0.47 0.14 0.00 2.66 0.00 0.00 56.10 58.70 2hde s TRP 61 Cb -0.02 -1.00 0.83 0.00 -3.10 0.00 0.00 33.47 30.17 2hde s TRP 61 CO 0.18 -0.39 0.95 -1.33 -2.66 0.00 0.00 176.95 173.71 2hde n MET 62 N 4.74 -0.03 -0.78 3.25 2.81 -1.26 0.28 117.12 126.13 2hde n MET 62 Ca -0.14 0.82 -0.15 0.00 -1.81 0.00 0.00 57.70 56.42 2hde n MET 62 Cb 0.50 -1.50 0.11 0.00 -0.71 0.00 0.00 33.22 31.63 2hde n MET 62 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2hde n ASP 63 N -4.30 3.50 -4.85 7.83 9.92 -1.26 -0.00 116.55 127.39 2hde n ASP 63 Ca 0.23 -3.03 -0.37 0.00 -0.53 0.00 0.00 54.79 51.10 2hde n ASP 63 Cb 0.81 -0.72 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 2hde n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hde s ALA 64 N -2.10 3.71 0.40 2.24 0.00 0.81 -4.62 121.76 122.21 2hde s ALA 64 Ca 0.36 -0.29 -0.23 0.00 0.00 0.00 0.00 51.96 51.80 2hde s ALA 64 Cb 0.31 -2.33 -0.10 0.00 0.00 0.00 0.00 23.12 20.99 2hde s ALA 64 CO 0.07 0.52 0.97 0.95 0.00 0.00 0.00 175.76 178.27 2hde s THR 65 N -1.21 4.19 0.50 0.00 -4.23 -1.26 -0.72 115.64 112.91 2hde s THR 65 Ca 0.27 1.52 0.38 0.00 -1.18 0.00 0.00 61.69 62.69 2hde s THR 65 Cb -0.15 -3.71 0.59 0.00 1.34 0.00 0.00 72.50 70.56 2hde s THR 65 CO 0.15 -0.14 1.64 -0.07 -0.54 0.00 0.00 174.62 175.66 2hde h LEU 66 N 2.31 0.12 0.01 4.79 3.38 0.24 0.34 115.31 126.50 2hde h LEU 66 Ca -0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2hde h LEU 66 Cb 1.19 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2hde h LEU 66 CO 0.62 -0.07 -0.02 0.07 0.09 0.00 0.00 178.44 179.13 2hde h LYS 67 N 0.05 -0.04 -0.65 1.13 2.10 -1.70 -0.66 116.57 116.81 2hde h LYS 67 Ca 0.81 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 59.57 2hde h LYS 67 Cb 2.91 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 34.21 2hde h LYS 67 CO -0.19 -0.03 0.44 0.93 -2.00 0.00 0.00 179.45 178.60 2hde h GLU 68 N -0.04 0.43 0.00 0.07 4.39 -0.63 0.25 114.58 119.05 2hde h GLU 68 Ca 0.01 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2hde h GLU 68 Cb 0.05 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2hde h GLU 68 CO -0.02 0.28 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.65 2hde h LEU 69 N 0.44 0.00 -0.97 1.33 -0.00 -1.18 -2.01 115.31 112.92 2hde h LEU 69 Ca 0.31 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 58.09 2hde h LEU 69 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 2hde h LEU 69 CO -0.09 0.39 -0.25 0.74 -0.00 0.00 0.00 178.44 179.24 2hde h THR 70 N 0.00 1.26 0.19 0.22 2.02 1.00 -2.45 112.91 115.14 2hde h THR 70 Ca -0.00 -1.24 -0.26 0.00 0.77 0.00 0.00 66.41 65.67 2hde h THR 70 Cb 0.98 1.35 0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2hde h THR 70 CO 0.05 0.39 -1.16 -1.28 0.37 0.00 0.00 175.52 173.90 2hde h SER 71 N 0.41 0.62 -0.40 4.18 0.87 -1.31 -2.99 113.55 114.92 2hde h SER 71 Ca 0.06 -0.93 0.08 0.00 -1.23 0.00 0.00 61.79 59.77 2hde h SER 71 Cb 0.65 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.33 2hde h SER 71 CO 0.05 1.55 -0.16 -0.07 -0.53 0.00 0.00 176.83 177.67 2hde h LEU 72 N -0.15 -0.55 -0.67 2.23 3.38 -1.29 0.23 115.31 118.50 2hde h LEU 72 Ca -0.21 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2hde h LEU 72 Cb 1.88 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 42.91 2hde h LEU 72 CO 0.19 -0.19 0.24 0.58 0.09 0.00 0.00 178.44 179.35 2hde h VAL 73 N -0.08 1.25 -0.74 1.22 2.07 -1.56 -2.72 116.25 115.68 2hde h VAL 73 Ca 0.20 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2hde h VAL 73 Cb 0.38 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2hde h VAL 73 CO -0.45 0.32 0.43 0.11 0.02 0.00 0.00 177.57 177.99 2hde h LYS 74 N 0.96 1.01 -0.00 1.57 6.56 -0.99 0.40 116.57 126.09 2hde h LYS 74 Ca 0.22 -0.10 -0.07 0.00 -1.06 0.00 0.00 60.65 59.65 2hde h LYS 74 Cb 0.25 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 2hde h LYS 74 CO -0.01 0.72 -0.32 1.05 -2.06 0.00 0.00 179.45 178.83 2hde h GLU 75 N 1.03 0.00 -0.51 3.15 4.11 -0.32 -2.24 114.58 119.80 2hde h GLU 75 Ca 0.27 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2hde h GLU 75 Cb -0.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2hde h GLU 75 CO -0.05 0.32 0.00 0.28 0.07 0.00 0.00 179.01 179.64 2hde n VAL 76 N -4.16 0.74 -3.41 -1.06 0.31 -0.62 -4.82 118.33 105.31 2hde n VAL 76 Ca -0.02 -0.87 -0.15 0.00 -0.01 0.00 0.00 64.34 63.29 2hde n VAL 76 Cb 0.36 0.74 -0.10 0.00 -0.91 0.00 0.00 33.84 33.94 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 -1.20 -0.51 0.02 3.52 6.14 0.13 -5.02 117.35 120.43 2hde s TYR 77 Ca 0.40 0.21 -0.26 0.00 0.64 0.00 0.00 57.07 58.06 2hde s TYR 77 Cb 0.22 -0.31 -0.17 0.00 0.42 0.00 0.00 41.96 42.12 2hde s TYR 77 CO 0.30 -0.77 1.36 -1.00 0.64 0.00 0.00 175.55 176.07 2hde h PRO 78 N 8.26 -0.30 -0.44 4.97 0.13 -1.86 -3.00 132.00 139.76 2hde h PRO 78 Ca -0.16 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 65.12 2hde h PRO 78 Cb 1.12 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2hde h PRO 78 CO 0.30 -0.00 0.49 1.49 -0.23 0.00 0.00 178.00 180.04 2hde h GLU 79 N -0.59 0.00 -0.03 0.86 4.81 -1.97 0.23 114.58 117.90 2hde h GLU 79 Ca -0.03 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2hde h GLU 79 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2hde h GLU 79 CO 0.05 0.00 -0.70 0.00 -0.73 0.00 0.00 179.01 177.63 2hde h ALA 80 N 1.44 0.77 0.00 2.92 0.00 -1.87 -3.08 119.26 119.44 2hde h ALA 80 Ca 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2hde h ALA 80 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2hde h ALA 80 CO -0.00 0.82 0.18 -0.09 0.00 0.00 0.00 179.25 180.16 2hde h ARG 81 N 0.10 0.00 -6.82 0.00 2.43 -0.54 -3.43 114.38 106.11 2hde h ARG 81 Ca -0.02 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.60 2hde h ARG 81 Cb 1.24 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.90 2hde h ARG 81 CO 0.10 0.00 0.66 1.63 -1.51 0.00 0.00 179.97 180.86 2hde n LYS 82 N -2.52 2.41 -2.43 0.20 5.02 -1.17 -4.94 118.16 114.73 2hde n LYS 82 Ca -0.02 0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 56.71 2hde n LYS 82 Cb 0.22 -2.52 -0.04 0.00 -0.02 0.00 0.00 35.03 32.68 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 -1.74 4.56 0.00 1.97 -0.14 -1.26 -3.22 119.74 119.90 2hde s LYS 83 Ca 0.56 1.83 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 2hde s LYS 83 Cb -0.53 -3.23 0.00 0.00 -1.68 0.00 0.00 37.83 32.39 2hde s LYS 83 CO 0.61 0.04 0.00 0.41 -0.76 0.00 0.00 175.35 175.65 2hde n GLY 84 N 1.80 0.79 3.66 -3.33 0.00 -1.26 -4.85 105.19 102.01 2hde n GLY 84 Ca 0.02 0.00 -0.43 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 -2.16 4.62 -0.37 2.61 2.01 -1.20 -4.54 115.64 116.60 2hde s THR 85 Ca 0.00 1.95 -0.13 0.00 0.31 0.00 0.00 61.69 63.82 2hde s THR 85 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2hde s THR 85 CO 0.00 -0.16 0.24 -1.00 -0.69 0.00 0.00 174.62 173.01 2hde s HIS 86 N 3.17 3.23 -0.13 4.92 0.09 -0.95 -1.65 115.29 123.97 2hde s HIS 86 Ca 0.46 -0.56 -0.01 0.00 -0.00 0.00 0.00 55.06 54.95 2hde s HIS 86 Cb -0.16 -2.49 -0.02 0.00 -0.00 0.00 0.00 32.58 29.90 2hde s HIS 86 CO 0.08 -0.52 -0.08 -0.59 -0.00 0.00 0.00 174.74 173.63 2hde s PHE 87 N 1.66 2.92 -0.14 1.40 -0.71 -0.92 0.39 117.98 122.57 2hde s PHE 87 Ca 0.05 -0.36 -0.07 0.00 -1.04 0.00 0.00 56.93 55.50 2hde s PHE 87 Cb -0.18 -1.86 -0.04 0.00 -1.21 0.00 0.00 43.02 39.73 2hde s PHE 87 CO 0.09 -0.03 0.12 1.21 -1.34 0.00 0.00 175.22 175.28 2hde s ASN 88 N 0.11 6.23 -0.20 1.98 2.47 0.95 -1.02 114.94 125.45 2hde s ASN 88 Ca -0.03 0.36 -0.07 0.00 0.42 0.00 0.00 52.86 53.55 2hde s ASN 88 Cb -0.14 -2.03 -0.03 0.00 -1.45 0.00 0.00 41.25 37.59 2hde s ASN 88 CO 0.04 0.33 0.04 -0.36 -3.72 0.00 0.00 177.10 173.43 2hde s PHE 89 N -0.58 3.14 -0.06 0.43 0.08 0.87 -0.08 117.98 121.78 2hde s PHE 89 Ca 0.12 -0.19 -0.22 0.00 0.12 0.00 0.00 56.93 56.76 2hde s PHE 89 Cb -0.12 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.27 2hde s PHE 89 CO 0.02 -0.07 0.51 0.00 -0.10 0.00 0.00 175.22 175.58 2hde s ALA 90 N 0.81 -1.30 -0.30 5.36 0.00 -0.70 -1.08 121.76 124.54 2hde s ALA 90 Ca 0.02 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.76 2hde s ALA 90 Cb -0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 2hde s ALA 90 CO 0.02 -0.31 0.47 0.42 0.00 0.00 0.00 175.76 176.37 2hde s ILE 91 N -1.02 5.08 0.10 0.00 1.01 0.34 -0.02 121.20 126.69 2hde s ILE 91 Ca -0.10 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2hde s ILE 91 Cb -0.03 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2hde s ILE 91 CO 0.06 -0.03 -0.07 0.54 0.00 0.00 0.00 174.94 175.44 2hde s VAL 92 N 2.28 0.75 -0.04 2.92 0.11 -0.99 -2.62 120.40 122.81 2hde s VAL 92 Ca 0.18 -1.88 0.06 0.00 -2.93 0.00 0.00 61.98 57.42 2hde s VAL 92 Cb -0.16 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 2hde s VAL 92 CO 0.11 -0.81 -0.22 0.72 -3.33 0.00 0.00 175.10 171.57 2hde s PHE 93 N -3.38 2.47 0.15 1.54 -0.12 -1.26 -4.57 117.98 112.82 2hde s PHE 93 Ca 0.11 -0.38 -0.31 0.00 -0.05 0.00 0.00 56.93 56.30 2hde s PHE 93 Cb 0.03 -1.56 -0.08 0.00 -0.63 0.00 0.00 43.02 40.78 2hde s PHE 93 CO -0.04 0.01 1.35 0.95 -0.05 0.00 0.00 175.22 177.45 2hde s THR 94 N -0.58 3.30 0.37 -4.49 -4.23 -1.26 -5.00 115.64 103.75 2hde s THR 94 Ca 0.09 0.98 -0.08 0.00 -1.18 0.00 0.00 61.69 61.49 2hde s THR 94 Cb -0.11 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.14 2hde s THR 94 CO 0.00 0.10 0.63 1.51 -0.54 0.00 0.00 174.62 176.33 2hde s ASP 95 N 0.80 0.52 0.14 3.99 1.47 -1.26 -5.01 116.67 117.32 2hde s ASP 95 Ca 0.61 -1.35 0.00 0.00 1.18 0.00 0.00 52.55 52.99 2hde s ASP 95 Cb -0.36 0.76 0.00 0.00 -0.34 0.00 0.00 42.92 42.98 2hde s ASP 95 CO 0.33 -1.51 0.00 1.33 0.68 0.00 0.00 175.17 176.01 2hde n VAL 96 N -0.56 0.25 -0.04 2.11 0.24 -1.26 -4.84 118.33 114.23 2hde n VAL 96 Ca -0.04 0.08 -0.05 0.00 -2.04 0.00 0.00 64.34 62.29 2hde n VAL 96 Cb 0.61 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 32.28 2hde n VAL 96 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2hde n LYS 97 N -3.11 0.59 -1.53 7.34 4.76 -1.26 -4.97 118.16 119.98 2hde n LYS 97 Ca 0.00 0.04 -0.44 0.00 -2.87 0.00 0.00 58.31 55.04 2hde n LYS 97 Cb 0.00 -1.16 -0.05 0.00 -1.84 0.00 0.00 35.03 31.98 2hde n LYS 97 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2hde n ARG 98 N -2.67 1.39 0.00 1.97 3.00 -1.26 -4.95 116.66 114.15 2hde n ARG 98 Ca -0.14 0.32 0.00 0.00 -0.01 0.00 0.00 57.85 58.02 2hde n ARG 98 Cb 0.66 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 30.17 2hde n ARG 98 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2hde n PRO 99 N 8.62 0.00 -2.72 5.56 -0.02 -1.26 -4.85 135.00 140.33 2hde n PRO 99 Ca 0.37 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2hde n PRO 99 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.88 2hde n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hde n GLY 100 N 0.00 0.13 3.66 -1.23 0.00 -1.26 -4.92 105.19 101.57 2hde n GLY 100 Ca 0.00 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.82 2.38 -2.18 1.61 4.01 -1.26 -4.81 117.16 113.10 2hde n TYR 101 Ca -0.04 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2hde n TYR 101 Cb 0.55 -2.73 -0.00 0.00 -0.31 0.00 0.00 39.34 36.85 2hde n TYR 101 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hde n ARG 102 N 7.22 0.00 -2.78 -0.72 5.12 -1.26 -5.10 116.66 119.13 2hde n ARG 102 Ca 0.22 -1.20 -0.40 0.00 -1.93 0.00 0.00 57.85 54.54 2hde n ARG 102 Cb 0.35 -0.09 -0.05 0.00 -1.16 0.00 0.00 32.46 31.51 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 0.00 4.38 -0.00 1.55 0.11 -1.26 -4.93 120.40 120.25 2hde s VAL 103 Ca 0.12 2.01 -0.08 0.00 -2.93 0.00 0.00 61.98 61.09 2hde s VAL 103 Cb 0.14 -4.29 0.01 0.00 -1.53 0.00 0.00 36.38 30.70 2hde s VAL 103 CO -0.06 0.40 0.16 -0.54 -3.33 0.00 0.00 175.10 171.73 2hde s LYS 104 N -0.47 0.50 0.05 1.54 -0.14 -1.08 -4.98 119.74 115.17 2hde s LYS 104 Ca 0.43 -0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 54.69 2hde s LYS 104 Cb -0.24 0.21 -0.04 0.00 -1.68 0.00 0.00 37.83 36.08 2hde s LYS 104 CO 0.30 -0.12 0.20 -2.00 -0.76 0.00 0.00 175.35 172.97 2hde s GLU 105 N -1.33 3.43 -0.02 1.68 2.12 -1.26 -0.51 118.70 122.82 2hde s GLU 105 Ca -0.14 -0.42 0.05 0.00 0.36 0.00 0.00 54.97 54.83 2hde s GLU 105 Cb -0.07 -3.05 -0.08 0.00 0.26 0.00 0.00 34.13 31.19 2hde s GLU 105 CO 0.02 0.62 0.10 0.44 -0.54 0.00 0.00 175.26 175.90 2hde n ILE 106 N 0.43 0.07 0.00 -3.70 -6.64 -0.24 -4.95 119.36 104.34 2hde n ILE 106 Ca -0.06 -0.14 0.00 0.00 -1.77 0.00 0.00 62.75 60.77 2hde n ILE 106 Cb 0.51 0.11 0.00 0.00 -1.44 0.00 0.00 39.64 38.82 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 2.30 2.25 3.12 3.28 0.00 -1.18 -5.02 105.19 109.94 2hde n GLY 107 Ca -0.03 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.93 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 1.72 0.00 1.61 0.01 -1.26 -0.09 113.70 115.69 2hde s SER 108 Ca 0.00 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.99 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 0.18 0.00 0.35 0.41 0.00 0.00 173.24 174.18 2hde n THR 109 N 2.71 0.00 -3.73 1.44 -2.24 -0.19 -4.63 114.28 107.65 2hde n THR 109 Ca -0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2hde n THR 109 Cb 0.55 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.48 0.85 -0.76 -0.78 -1.94 -1.25 -2.17 119.30 111.77 2hde s MET 110 Ca 0.00 -0.48 -0.26 0.00 -1.71 0.00 0.00 55.69 53.25 2hde s MET 110 Cb 0.00 0.37 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 2hde s MET 110 CO 0.00 -0.28 1.91 -1.12 -0.01 0.00 0.00 175.02 175.52 2hde s SER 111 N -2.08 5.20 0.00 3.03 0.01 -0.66 -2.75 113.70 116.46 2hde s SER 111 Ca -0.05 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2hde s SER 111 Cb -0.01 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2hde s SER 111 CO -0.03 -2.56 0.00 0.61 0.41 0.00 0.00 173.24 171.66 2hde n GLY 112 N 6.27 0.43 2.98 3.44 0.00 -1.26 -4.00 105.19 113.06 2hde n GLY 112 Ca 0.30 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.53 1.70 -0.62 1.61 3.00 -1.11 -5.06 118.95 115.95 2hde s ARG 113 Ca 0.00 -0.37 -0.26 0.00 0.00 0.00 0.00 55.73 55.10 2hde s ARG 113 Cb 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 34.95 33.44 2hde s ARG 113 CO 0.00 -0.10 1.12 0.21 0.00 0.00 0.00 175.30 176.53 2hde s LYS 114 N 1.12 3.35 0.00 3.54 2.47 -1.26 -3.97 119.74 124.99 2hde s LYS 114 Ca -0.06 -0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.25 2hde s LYS 114 Cb -0.14 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.14 2hde s LYS 114 CO -0.02 -1.74 0.00 0.41 0.16 0.00 0.00 175.35 174.16 2hde n GLY 115 N 5.17 0.77 0.10 5.54 0.00 -1.26 -5.02 105.19 110.49 2hde n GLY 115 Ca 0.04 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.30 1.08 0.00 2.61 1.35 -1.95 -3.34 112.91 112.37 2hde h THR 116 Ca 0.00 -2.81 -0.12 0.00 -0.55 0.00 0.00 66.41 62.93 2hde h THR 116 Cb 0.00 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.04 2hde h THR 116 CO 0.00 0.75 -0.57 0.44 -0.25 0.00 0.00 175.52 175.89 2hde h ASP 117 N 0.04 0.00 -0.94 5.36 3.32 -1.96 -3.30 116.42 118.95 2hde h ASP 117 Ca -0.24 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.04 2hde h ASP 117 Cb 1.98 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 41.41 2hde h ASP 117 CO 0.12 0.57 0.48 -0.78 -1.72 0.00 0.00 179.24 177.91 2hde h ASP 118 N 0.00 0.48 0.62 6.45 3.58 -1.83 0.93 116.42 126.64 2hde h ASP 118 Ca -0.01 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2hde h ASP 118 Cb 1.36 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.50 2hde h ASP 118 CO 0.07 0.05 0.00 -1.54 -2.88 0.00 0.00 179.24 174.94 2hde n SER 119 N -4.98 0.10 -4.87 2.28 3.41 -1.24 -1.84 113.62 106.49 2hde n SER 119 Ca 0.24 0.52 -0.31 0.00 -0.26 0.00 0.00 58.87 59.06 2hde n SER 119 Cb 0.69 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 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 -3.04 3.42 0.18 4.33 0.00 0.32 -4.77 119.30 119.73 2hde s MET 120 Ca 0.08 0.71 0.07 0.00 0.00 0.00 0.00 55.69 56.55 2hde s MET 120 Cb 0.11 -2.06 -0.04 0.00 0.00 0.00 0.00 34.83 32.84 2hde s MET 120 CO 0.33 -0.69 0.00 0.95 0.00 0.00 0.00 175.02 175.60 2hde s THR 121 N -3.20 3.70 0.12 10.11 -4.23 -1.26 0.17 115.64 121.05 2hde s THR 121 Ca 0.56 -1.46 -0.19 0.00 -1.18 0.00 0.00 61.69 59.42 2hde s THR 121 Cb -0.11 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 2hde s THR 121 CO 0.54 -0.13 1.73 0.25 -0.54 0.00 0.00 174.62 176.46 2hde h LEU 122 N 2.62 0.32 -1.59 4.79 6.46 -1.03 -2.27 115.31 124.61 2hde h LEU 122 Ca -0.47 -0.07 0.20 0.00 -0.12 0.00 0.00 57.88 57.42 2hde h LEU 122 Cb 1.21 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 41.00 2hde h LEU 122 CO 0.58 0.30 0.58 0.06 -0.62 0.00 0.00 178.44 179.34 2hde h GLN 123 N 0.32 0.34 0.00 1.25 3.07 -0.68 0.80 115.11 120.20 2hde h GLN 123 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.81 2hde h GLN 123 Cb 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2hde h GLN 123 CO -0.02 0.22 0.00 0.45 0.09 0.00 0.00 178.83 179.58 2hde n SER 124 N -4.48 0.01 -1.56 0.06 2.88 -0.86 -2.49 113.62 107.18 2hde n SER 124 Ca 0.18 0.50 0.05 0.00 -1.33 0.00 0.00 58.87 58.27 2hde n SER 124 Cb 0.70 -0.50 0.30 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.51 3.89 -1.38 -1.46 1.13 0.28 -4.87 117.38 113.46 2hde n GLN 125 Ca 0.04 -2.37 -0.13 0.00 -1.94 0.00 0.00 57.00 52.60 2hde n GLN 125 Cb 0.21 -2.08 -0.06 0.00 0.11 0.00 0.00 30.24 28.43 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 0.44 -1.44 -2.03 -1.09 4.01 -1.04 -4.96 118.16 112.04 2hde n LYS 126 Ca 0.22 0.95 -0.30 0.00 -0.51 0.00 0.00 58.31 58.67 2hde n LYS 126 Cb 0.98 -5.25 0.02 0.00 -0.51 0.00 0.00 35.03 30.27 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 -2.22 3.47 0.23 2.13 5.36 -1.24 -5.08 117.98 120.63 2hde s PHE 127 Ca 0.00 1.07 -0.08 0.00 -0.96 0.00 0.00 56.93 56.96 2hde s PHE 127 Cb 0.00 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.87 2hde s PHE 127 CO 0.00 -0.82 0.35 -0.65 -1.46 0.00 0.00 175.22 172.63 2hde s GLN 128 N -5.16 1.43 -0.32 10.12 -0.21 -1.26 -4.70 119.66 119.55 2hde s GLN 128 Ca 0.55 -1.41 -0.28 0.00 0.02 0.00 0.00 55.36 54.23 2hde s GLN 128 Cb -0.11 0.39 -0.02 0.00 1.00 0.00 0.00 33.01 34.28 2hde s GLN 128 CO 0.51 -0.55 1.78 0.42 -2.12 0.00 0.00 175.29 175.33 2hde s ILE 129 N -4.04 3.49 0.00 1.08 1.01 -1.26 -2.00 121.20 119.48 2hde s ILE 129 Ca 0.29 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2hde s ILE 129 Cb 0.02 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2hde s ILE 129 CO 0.11 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.25 2hde n GLY 130 N 5.36 1.61 3.70 6.18 0.00 -1.26 -5.10 105.19 115.69 2hde n GLY 130 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.85 3.33 -0.51 1.61 1.11 -0.85 -4.90 116.67 114.62 2hde s ASP 131 Ca 0.00 2.00 -0.19 0.00 0.18 0.00 0.00 52.55 54.54 2hde s ASP 131 Cb 0.00 -2.52 0.07 0.00 1.07 0.00 0.00 42.92 41.54 2hde s ASP 131 CO 0.00 -2.81 0.60 -0.31 1.18 0.00 0.00 175.17 173.83 2hde s TYR 132 N -2.74 3.07 -0.32 4.23 2.02 -1.26 -4.42 117.35 117.93 2hde s TYR 132 Ca 0.65 -0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 56.60 2hde s TYR 132 Cb -0.21 -3.54 -0.02 0.00 -0.40 0.00 0.00 41.96 37.79 2hde s TYR 132 CO 0.58 -1.03 0.20 -1.17 -1.57 0.00 0.00 175.55 172.55 2hde s LEU 133 N 2.50 4.29 -0.20 -1.29 1.98 -1.12 -2.35 118.68 122.48 2hde s LEU 133 Ca 0.13 -0.43 -0.07 0.00 -2.89 0.00 0.00 54.13 50.87 2hde s LEU 133 Cb -0.20 -2.07 -0.04 0.00 0.66 0.00 0.00 46.19 44.54 2hde s LEU 133 CO 0.11 -0.20 0.05 -0.62 -1.89 0.00 0.00 176.35 173.80 2hde s ASP 134 N 1.68 5.35 -0.25 3.68 -1.08 0.97 -2.44 116.67 124.59 2hde s ASP 134 Ca 0.06 -0.05 -0.06 0.00 -0.52 0.00 0.00 52.55 51.98 2hde s ASP 134 Cb -0.17 -1.93 -0.01 0.00 -1.46 0.00 0.00 42.92 39.35 2hde s ASP 134 CO 0.09 0.10 0.02 -0.63 0.52 0.00 0.00 175.17 175.26 2hde s ILE 135 N 0.83 3.81 -0.59 4.11 1.09 0.70 -1.73 121.20 129.42 2hde s ILE 135 Ca 0.03 -0.42 -0.20 0.00 -1.10 0.00 0.00 60.65 58.96 2hde s ILE 135 Cb -0.14 -2.80 0.09 0.00 -1.06 0.00 0.00 42.46 38.55 2hde s ILE 135 CO 0.02 0.32 0.74 0.00 -0.10 0.00 0.00 174.94 175.93 2hde s ALA 136 N 1.53 3.36 -0.06 9.38 0.00 0.88 -2.66 121.76 134.19 2hde s ALA 136 Ca 0.05 -2.07 -0.24 0.00 0.00 0.00 0.00 51.96 49.70 2hde s ALA 136 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 2hde s ALA 136 CO 0.00 -2.37 0.74 0.42 0.00 0.00 0.00 175.76 174.56 2hde s ILE 137 N 2.93 5.02 -0.32 0.00 1.01 -0.89 -0.04 121.20 128.91 2hde s ILE 137 Ca 0.14 1.53 -0.05 0.00 0.00 0.00 0.00 60.65 62.27 2hde s ILE 137 Cb -0.22 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2hde s ILE 137 CO 0.08 0.24 0.07 -0.89 0.00 0.00 0.00 174.94 174.44 2hde s THR 138 N 0.85 3.63 0.76 2.92 2.01 0.16 0.99 115.64 126.97 2hde s THR 138 Ca 0.39 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 2hde s THR 138 Cb -0.18 -3.01 0.05 0.00 0.01 0.00 0.00 72.50 69.37 2hde s THR 138 CO 0.19 -0.09 1.13 -2.16 -0.69 0.00 0.00 174.62 173.00 2hde s PRO 139 N 1.39 2.16 -0.29 4.92 0.04 -1.26 -2.25 135.00 139.72 2hde s PRO 139 Ca -0.01 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 2hde s PRO 139 Cb -0.19 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 2hde s PRO 139 CO 0.02 -1.75 3.34 -0.35 0.04 0.00 0.00 177.00 178.30 2hde n PRO 140 N -3.21 2.32 -0.01 0.56 -0.04 -1.26 -4.01 135.00 129.36 2hde n PRO 140 Ca 0.11 -1.49 0.04 0.00 -0.04 0.00 0.00 63.50 62.12 2hde n PRO 140 Cb 0.52 -2.12 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 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 2.20 2.95 -0.08 3.54 6.94 -1.26 -4.69 115.26 124.86 2hde n ASN 141 Ca 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.94 2hde n ASN 141 Cb 0.75 1.38 -0.09 0.00 -2.36 0.00 0.00 39.78 39.46 2hde n ASN 141 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2hde n ARG 142 N -1.83 0.94 -1.93 -3.83 3.00 -1.26 -4.92 116.66 106.82 2hde n ARG 142 Ca -0.02 0.06 -0.43 0.00 -0.00 0.00 0.00 57.85 57.46 2hde n ARG 142 Cb 0.26 -1.36 -0.03 0.00 0.00 0.00 0.00 32.46 31.33 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 -2.35 2.81 0.22 5.13 0.00 -1.26 -4.96 121.76 121.34 2hde s ALA 143 Ca -0.18 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 2hde s ALA 143 Cb 0.05 -4.04 -0.10 0.00 0.00 0.00 0.00 23.12 19.04 2hde s ALA 143 CO 0.48 -2.72 1.45 -1.25 0.00 0.00 0.00 175.76 173.72 2hde s PRO 144 N 5.84 4.27 0.19 0.00 0.04 -1.26 -4.94 135.00 139.14 2hde s PRO 144 Ca 0.83 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 64.02 2hde s PRO 144 Cb -0.24 -3.14 0.19 0.00 0.04 0.00 0.00 34.50 31.35 2hde s PRO 144 CO 0.33 -0.44 1.75 -1.35 0.04 0.00 0.00 177.00 177.34 2hde h PRO 145 N 5.55 0.38 -6.51 0.56 0.11 -1.97 -3.41 132.00 126.70 2hde h PRO 145 Ca -0.45 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.11 2hde h PRO 145 Cb 1.21 -0.09 0.04 0.00 0.11 0.00 0.00 31.00 32.27 2hde h PRO 145 CO 0.81 0.25 1.07 -2.14 -0.21 0.00 0.00 178.00 177.78 2hde s PRO 146 N -6.12 4.15 -0.44 1.05 0.02 -1.26 -4.91 135.00 127.49 2hde s PRO 146 Ca -0.13 2.53 0.05 0.00 0.02 0.00 0.00 61.00 63.47 2hde s PRO 146 Cb 0.15 -3.53 0.29 0.00 0.02 0.00 0.00 34.50 31.42 2hde s PRO 146 CO 0.73 -0.80 1.08 0.45 -0.33 0.00 0.00 177.00 178.13 2hde n SER 147 N 5.45 -2.30 0.02 2.53 2.88 -1.26 -5.04 113.62 115.90 2hde n SER 147 Ca 0.17 -3.13 -0.00 0.00 -1.33 0.00 0.00 58.87 54.57 2hde n SER 147 Cb 0.38 1.68 -0.00 0.00 -0.75 0.00 0.00 64.21 65.52 2hde n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hde n GLY 148 N 0.97 -0.02 0.43 0.46 0.00 -1.26 -5.27 105.19 100.50 2hde n GLY 148 Ca 0.05 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.20 2hde n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86