#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmh s SER 2 N 0.00 5.87 0.10 1.61 0.01 -1.26 -5.02 113.70 115.02 2dmh s SER 2 Ca 0.00 2.96 -0.15 0.00 1.31 0.00 0.00 55.95 60.07 2dmh s SER 2 Cb 0.00 -2.66 0.03 0.00 0.21 0.00 0.00 66.02 63.60 2dmh s SER 2 CO 0.00 -1.19 0.36 -0.55 0.41 0.00 0.00 173.24 172.28 2dmh s SER 3 N -0.45 -0.18 0.00 2.44 0.15 -1.26 -5.06 113.70 109.34 2dmh s SER 3 Ca 0.61 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2dmh s SER 3 Cb -0.45 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2dmh s SER 3 CO 0.58 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dmh n GLY 4 N -0.05 0.08 3.58 9.45 0.00 -1.26 -5.09 105.19 111.90 2dmh n GLY 4 Ca -0.16 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2dmh n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmh s SER 5 N 0.00 5.62 -0.58 1.61 0.01 -1.23 -4.86 113.70 114.27 2dmh s SER 5 Ca 0.00 1.01 -0.02 0.00 1.31 0.00 0.00 55.95 58.25 2dmh s SER 5 Cb 0.00 -2.53 0.31 0.00 0.21 0.00 0.00 66.02 64.02 2dmh s SER 5 CO 0.00 -1.98 2.14 -1.20 0.41 0.00 0.00 173.24 172.61 2dmh n SER 6 N 11.35 7.19 -2.04 2.44 7.64 -1.26 -1.13 113.62 137.81 2dmh n SER 6 Ca 0.23 -3.53 0.00 0.00 1.01 0.00 0.00 58.87 56.58 2dmh n SER 6 Cb 0.49 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dmh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmh n GLY 7 N -0.26 -5.33 2.84 0.23 0.00 -1.26 -0.07 105.19 101.34 2dmh n GLY 7 Ca 0.51 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2dmh n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dmh s MET 8 N -1.06 -0.00 -0.22 1.61 -2.45 -1.23 -0.94 119.30 115.01 2dmh s MET 8 Ca 0.00 0.11 -0.06 0.00 -1.25 0.00 0.00 55.69 54.49 2dmh s MET 8 Cb 0.00 -0.11 -0.02 0.00 1.25 0.00 0.00 34.83 35.95 2dmh s MET 8 CO 0.00 -0.08 0.02 -1.17 1.05 0.00 0.00 175.02 174.84 2dmh s LEU 9 N 0.51 3.28 -0.10 4.11 2.96 -0.52 -3.42 118.68 125.49 2dmh s LEU 9 Ca -0.04 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2dmh s LEU 9 Cb -0.06 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2dmh s LEU 9 CO -0.02 0.01 0.05 -0.13 -1.32 0.00 0.00 176.35 174.95 2dmh s ARG 10 N 1.32 3.17 -0.40 1.98 0.52 -1.04 0.13 118.95 124.63 2dmh s ARG 10 Ca 0.04 -0.31 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 2dmh s ARG 10 Cb -0.15 -2.94 0.13 0.00 0.52 0.00 0.00 34.95 32.51 2dmh s ARG 10 CO 0.02 0.71 0.20 0.08 0.02 0.00 0.00 175.30 176.33 2dmh s VAL 11 N -0.89 1.07 0.00 3.52 1.01 -0.67 -1.62 120.40 122.82 2dmh s VAL 11 Ca 0.13 -2.16 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 2dmh s VAL 11 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 2dmh s VAL 11 CO 0.03 -0.87 1.03 -0.63 0.00 0.00 0.00 175.10 174.66 2dmh s ILE 12 N 0.75 4.68 -0.46 2.22 1.01 -0.87 -2.64 121.20 125.88 2dmh s ILE 12 Ca 0.16 1.92 -0.09 0.00 0.00 0.00 0.00 60.65 62.64 2dmh s ILE 12 Cb -0.23 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.12 2dmh s ILE 12 CO -0.05 0.13 0.33 -0.69 0.00 0.00 0.00 174.94 174.66 2dmh s VAL 13 N 1.14 4.18 0.00 2.92 1.01 -0.00 -1.87 120.40 127.78 2dmh s VAL 13 Ca 0.53 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.77 2dmh s VAL 13 Cb -0.23 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2dmh s VAL 13 CO 0.27 -0.73 0.50 -0.62 0.00 0.00 0.00 175.10 174.52 2dmh n GLU 14 N 4.90 0.00 -3.61 2.72 -0.58 -1.16 0.56 120.64 123.47 2dmh n GLU 14 Ca -0.08 0.24 -0.02 0.00 -0.42 0.00 0.00 57.16 56.88 2dmh n GLU 14 Cb 0.41 -1.08 -0.01 0.00 -0.57 0.00 0.00 31.44 30.19 2dmh n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2dmh s SER 15 N -1.99 -0.10 0.35 1.62 1.04 -1.26 -0.68 113.70 112.69 2dmh s SER 15 Ca 0.00 -0.07 0.09 0.00 0.48 0.00 0.00 55.95 56.45 2dmh s SER 15 Cb 0.00 0.16 -0.06 0.00 0.10 0.00 0.00 66.02 66.22 2dmh s SER 15 CO 0.00 -0.27 0.02 0.00 0.98 0.00 0.00 173.24 173.96 2dmh s ALA 16 N -2.44 3.21 0.22 5.32 0.00 -0.95 -2.17 121.76 124.95 2dmh s ALA 16 Ca 0.12 -2.00 -0.21 0.00 0.00 0.00 0.00 51.96 49.87 2dmh s ALA 16 Cb 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2dmh s ALA 16 CO -0.04 0.04 0.63 -1.12 0.00 0.00 0.00 175.76 175.27 2dmh s SER 17 N -3.72 -0.36 -1.14 0.00 0.01 -0.20 -3.31 113.70 104.97 2dmh s SER 17 Ca 0.35 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.21 2dmh s SER 17 Cb 0.01 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2dmh s SER 17 CO 0.19 -1.15 0.96 0.59 0.41 0.00 0.00 173.24 174.24 2dmh n ASN 18 N -0.40 -2.74 -4.83 2.44 3.02 -1.26 -1.54 115.26 109.94 2dmh n ASN 18 Ca -0.10 -0.56 -0.38 0.00 -0.03 0.00 0.00 54.58 53.52 2dmh n ASN 18 Cb 0.62 -4.77 -0.06 0.00 -0.61 0.00 0.00 39.78 34.95 2dmh n ASN 18 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dmh s ILE 19 N -3.33 5.16 -0.58 2.41 1.01 -1.26 -3.13 121.20 121.49 2dmh s ILE 19 Ca 0.09 0.69 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 2dmh s ILE 19 Cb -0.04 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2dmh s ILE 19 CO 0.68 0.55 1.85 -2.16 0.00 0.00 0.00 174.94 175.86 2dmh s PRO 20 N -0.82 2.71 0.81 2.79 0.04 -1.26 -4.86 135.00 134.41 2dmh s PRO 20 Ca 0.21 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.83 2dmh s PRO 20 Cb -0.15 -4.36 0.18 0.00 0.04 0.00 0.00 34.50 30.20 2dmh s PRO 20 CO 0.10 -2.63 0.40 0.36 0.04 0.00 0.00 177.00 175.27 2dmh n LYS 21 N 9.09 -1.86 -4.31 4.56 2.85 -1.26 -4.83 118.16 122.40 2dmh n LYS 21 Ca 0.21 -0.67 -0.25 0.00 -1.05 0.00 0.00 58.31 56.54 2dmh n LYS 21 Cb 0.51 -1.13 -0.09 0.00 -0.65 0.00 0.00 35.03 33.67 2dmh n LYS 21 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2dmh s THR 22 N -1.66 3.19 -1.06 0.58 -1.32 -1.07 -4.85 115.64 109.44 2dmh s THR 22 Ca 0.31 -1.81 0.05 0.00 -1.21 0.00 0.00 61.69 59.02 2dmh s THR 22 Cb -0.05 -2.63 0.04 0.00 -1.51 0.00 0.00 72.50 68.35 2dmh s THR 22 CO 0.26 -0.22 1.12 2.29 -2.21 0.00 0.00 174.62 175.86 2dmh n LYS 23 N -0.30 0.01 -0.00 7.08 2.85 -1.26 -0.75 118.16 125.79 2dmh n LYS 23 Ca -0.09 0.40 0.09 0.00 -1.05 0.00 0.00 58.31 57.66 2dmh n LYS 23 Cb 0.57 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.32 2dmh n LYS 23 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2dmh n PHE 24 N -1.47 0.00 0.00 5.58 3.72 -1.26 -5.06 117.46 118.97 2dmh n PHE 24 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2dmh n PHE 24 Cb 0.05 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 2dmh n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dmh n GLY 25 N 1.42 -0.43 2.85 1.37 0.00 0.07 -5.08 105.19 105.39 2dmh n GLY 25 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 2dmh n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmh s LYS 26 N 0.00 0.05 1.18 1.61 1.02 -1.26 -2.61 119.74 119.73 2dmh s LYS 26 Ca 0.00 0.57 -0.18 0.00 0.02 0.00 0.00 55.97 56.37 2dmh s LYS 26 Cb 0.00 -0.28 0.28 0.00 -0.52 0.00 0.00 37.83 37.30 2dmh s LYS 26 CO 0.00 -0.32 1.11 -1.25 -0.92 0.00 0.00 175.35 173.97 2dmh s PRO 27 N 2.31 -1.05 -0.49 -1.68 0.04 -1.26 -4.32 135.00 128.54 2dmh s PRO 27 Ca 0.03 -0.00 -0.05 0.00 0.04 0.00 0.00 61.00 61.01 2dmh s PRO 27 Cb -0.12 -1.61 0.13 0.00 0.04 0.00 0.00 34.50 32.94 2dmh s PRO 27 CO -0.06 -3.61 0.32 -0.51 0.04 0.00 0.00 177.00 173.18 2dmh s ASP 28 N -3.84 5.46 0.44 6.66 1.01 -1.26 -2.89 116.67 122.25 2dmh s ASP 28 Ca 0.70 -2.20 -0.24 0.00 0.71 0.00 0.00 52.55 51.53 2dmh s ASP 28 Cb -0.11 -1.91 -0.08 0.00 1.01 0.00 0.00 42.92 41.83 2dmh s ASP 28 CO 0.56 -0.56 1.17 -2.16 0.21 0.00 0.00 175.17 174.40 2dmh s PRO 29 N 0.91 3.87 -0.19 8.23 0.04 -1.25 -2.11 135.00 144.50 2dmh s PRO 29 Ca 0.10 1.82 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 2dmh s PRO 29 Cb -0.23 -2.52 0.08 0.00 0.04 0.00 0.00 34.50 31.88 2dmh s PRO 29 CO -0.03 -0.47 0.44 -1.50 0.04 0.00 0.00 177.00 175.47 2dmh s ILE 30 N -1.49 -0.38 -0.10 0.56 2.07 -1.08 -2.30 121.20 118.49 2dmh s ILE 30 Ca 0.61 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.68 2dmh s ILE 30 Cb -0.30 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 2dmh s ILE 30 CO 0.37 0.05 1.00 -0.69 -1.91 0.00 0.00 174.94 173.76 2dmh s VAL 31 N 2.09 4.79 -0.33 4.00 1.01 -1.26 -3.35 120.40 127.35 2dmh s VAL 31 Ca -0.05 2.05 0.03 0.00 0.00 0.00 0.00 61.98 64.00 2dmh s VAL 31 Cb -0.10 -4.32 0.10 0.00 0.00 0.00 0.00 36.38 32.06 2dmh s VAL 31 CO -0.13 0.02 0.04 -0.44 0.00 0.00 0.00 175.10 174.59 2dmh s SER 32 N 1.09 4.61 0.06 3.32 0.01 -0.88 -0.06 113.70 121.85 2dmh s SER 32 Ca 0.49 -2.00 -0.18 0.00 1.31 0.00 0.00 55.95 55.57 2dmh s SER 32 Cb -0.19 -1.50 -0.06 0.00 0.21 0.00 0.00 66.02 64.48 2dmh s SER 32 CO 0.19 -0.37 0.52 -0.69 0.41 0.00 0.00 173.24 173.30 2dmh s VAL 33 N 1.03 4.83 -0.06 3.43 1.01 0.27 -2.54 120.40 128.37 2dmh s VAL 33 Ca 0.09 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2dmh s VAL 33 Cb -0.19 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2dmh s VAL 33 CO -0.10 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 174.87 2dmh s ILE 34 N -1.13 0.54 -0.27 2.22 1.09 -1.12 -0.60 121.20 121.93 2dmh s ILE 34 Ca 0.28 -0.06 -0.23 0.00 -1.10 0.00 0.00 60.65 59.54 2dmh s ILE 34 Cb -0.18 -0.61 0.08 0.00 -1.06 0.00 0.00 42.46 40.68 2dmh s ILE 34 CO 0.17 0.25 0.75 0.12 -0.10 0.00 0.00 174.94 176.13 2dmh s PHE 35 N 1.34 -0.81 -1.30 3.97 5.36 -1.04 -3.57 117.98 121.93 2dmh s PHE 35 Ca -0.04 1.89 -0.00 0.00 -0.96 0.00 0.00 56.93 57.81 2dmh s PHE 35 Cb -0.13 0.35 -0.00 0.00 -0.34 0.00 0.00 43.02 42.89 2dmh s PHE 35 CO -0.02 -0.39 0.71 1.63 -1.46 0.00 0.00 175.22 175.68 2dmh n LYS 36 N 2.98 -4.91 -3.55 10.12 4.76 -1.26 -1.27 118.16 125.02 2dmh n LYS 36 Ca -0.15 0.63 -0.26 0.00 -2.87 0.00 0.00 58.31 55.66 2dmh n LYS 36 Cb 0.56 -5.20 0.00 0.00 -1.84 0.00 0.00 35.03 28.56 2dmh n LYS 36 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2dmh n ASP 37 N -3.06 -4.20 -3.86 4.39 2.03 -1.26 -4.94 116.55 105.65 2dmh n ASP 37 Ca -0.30 -0.54 -0.30 0.00 0.52 0.00 0.00 54.79 54.18 2dmh n ASP 37 Cb 0.68 -3.43 -0.15 0.00 -0.72 0.00 0.00 41.12 37.49 2dmh n ASP 37 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2dmh s GLU 38 N -6.22 1.19 -0.28 -0.67 2.56 -0.40 -5.10 118.70 109.78 2dmh s GLU 38 Ca 0.49 -1.10 -0.23 0.00 0.00 0.00 0.00 54.97 54.13 2dmh s GLU 38 Cb -0.25 -2.45 -0.00 0.00 2.00 0.00 0.00 34.13 33.43 2dmh s GLU 38 CO 0.60 -0.79 0.78 0.21 -0.56 0.00 0.00 175.26 175.51 2dmh s LYS 39 N 1.44 4.05 -0.05 4.30 2.20 -1.26 -2.50 119.74 127.91 2dmh s LYS 39 Ca 0.03 0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 56.32 2dmh s LYS 39 Cb -0.18 -3.69 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 2dmh s LYS 39 CO -0.13 -0.60 0.00 0.15 -0.36 0.00 0.00 175.35 174.42 2dmh s LYS 40 N 2.86 0.47 0.08 4.03 1.02 0.24 -5.02 119.74 123.41 2dmh s LYS 40 Ca 0.32 0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.50 2dmh s LYS 40 Cb -0.15 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 2dmh s LYS 40 CO 0.10 -0.23 -0.22 -1.59 -0.92 0.00 0.00 175.35 172.49 2dmh s LYS 41 N 1.60 1.31 0.64 1.68 -2.85 -1.26 0.97 119.74 121.82 2dmh s LYS 41 Ca -0.01 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 53.76 2dmh s LYS 41 Cb -0.13 -1.54 -0.03 0.00 -2.06 0.00 0.00 37.83 34.08 2dmh s LYS 41 CO -0.03 0.38 1.04 0.95 0.10 0.00 0.00 175.35 177.78 2dmh s THR 42 N -0.98 4.52 -0.09 3.79 -4.23 0.91 -4.95 115.64 114.61 2dmh s THR 42 Ca 0.08 0.82 -0.31 0.00 -1.18 0.00 0.00 61.69 61.10 2dmh s THR 42 Cb -0.10 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.87 2dmh s THR 42 CO 0.03 -1.07 2.05 2.29 -0.54 0.00 0.00 174.62 177.38 2dmh n LYS 43 N -2.81 2.35 -1.02 3.99 2.85 -1.26 -4.53 118.16 117.73 2dmh n LYS 43 Ca 0.06 0.80 -0.36 0.00 -1.05 0.00 0.00 58.31 57.76 2dmh n LYS 43 Cb 0.54 -2.98 0.06 0.00 -0.65 0.00 0.00 35.03 32.00 2dmh n LYS 43 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2dmh n LYS 44 N 7.80 -0.03 -4.84 -1.58 2.85 -1.26 -4.94 118.16 116.16 2dmh n LYS 44 Ca 0.25 0.01 -0.32 0.00 -1.05 0.00 0.00 58.31 57.19 2dmh n LYS 44 Cb 0.39 -1.26 -0.17 0.00 -0.65 0.00 0.00 35.03 33.34 2dmh n LYS 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2dmh s VAL 45 N -2.07 2.03 1.05 0.58 1.01 -0.97 -5.04 120.40 116.99 2dmh s VAL 45 Ca 0.48 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 2dmh s VAL 45 Cb -0.25 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2dmh s VAL 45 CO 0.75 0.55 -0.36 -0.90 0.00 0.00 0.00 175.10 175.14 2dmh n ASP 46 N 3.89 -2.79 -3.36 3.32 5.75 -1.26 -3.80 116.55 118.29 2dmh n ASP 46 Ca -0.20 0.01 -0.27 0.00 -0.01 0.00 0.00 54.79 54.33 2dmh n ASP 46 Cb 0.52 -0.88 -0.13 0.00 -1.03 0.00 0.00 41.12 39.60 2dmh n ASP 46 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2dmh n ASN 47 N 0.02 -0.16 -3.64 -1.12 4.13 -1.26 -4.77 115.26 108.45 2dmh n ASN 47 Ca 0.01 -0.02 -0.07 0.00 1.68 0.00 0.00 54.58 56.18 2dmh n ASN 47 Cb 0.63 -0.60 -0.07 0.00 -1.54 0.00 0.00 39.78 38.20 2dmh n ASN 47 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2dmh s GLU 48 N 6.29 0.57 0.02 3.52 2.56 -1.14 -4.95 118.70 125.57 2dmh s GLU 48 Ca 1.01 0.90 -0.20 0.00 0.00 0.00 0.00 54.97 56.68 2dmh s GLU 48 Cb -0.85 0.17 -0.20 0.00 2.00 0.00 0.00 34.13 35.25 2dmh s GLU 48 CO 0.38 -0.10 1.19 -0.07 -0.56 0.00 0.00 175.26 176.09 2dmh h LEU 49 N 5.97 0.51 -7.47 2.70 -0.00 -1.87 -3.39 115.31 111.76 2dmh h LEU 49 Ca -0.29 -0.67 -0.74 0.00 -0.00 0.00 0.00 57.88 56.19 2dmh h LEU 49 Cb 1.20 -0.15 -0.32 0.00 -0.00 0.00 0.00 40.66 41.38 2dmh h LEU 49 CO 0.15 1.09 0.03 0.20 -0.00 0.00 0.00 178.44 179.92 2dmh s ASN 50 N -6.56 6.32 0.86 -0.43 0.02 -1.26 -4.06 114.94 109.84 2dmh s ASN 50 Ca -0.13 -3.47 -0.11 0.00 -1.02 0.00 0.00 52.86 48.12 2dmh s ASN 50 Cb 0.04 -2.01 0.11 0.00 0.02 0.00 0.00 41.25 39.41 2dmh s ASN 50 CO 0.80 -0.27 1.09 -2.16 0.02 0.00 0.00 177.10 176.58 2dmh s PRO 51 N -1.00 1.52 -0.24 -0.60 0.04 -1.21 -4.79 135.00 128.71 2dmh s PRO 51 Ca 0.26 0.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.19 2dmh s PRO 51 Cb -0.10 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.68 2dmh s PRO 51 CO -0.10 -2.09 0.07 0.08 0.04 0.00 0.00 177.00 175.00 2dmh s VAL 52 N -2.93 0.51 -0.23 -0.36 1.01 -1.26 -2.25 120.40 114.90 2dmh s VAL 52 Ca 0.63 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 2dmh s VAL 52 Cb -0.18 -1.18 -0.19 0.00 0.00 0.00 0.00 36.38 34.84 2dmh s VAL 52 CO 0.57 -0.41 -0.09 0.79 0.00 0.00 0.00 175.10 175.96 2dmh n TRP 53 N 5.03 0.33 -3.88 5.22 8.01 -1.09 -4.96 117.44 126.11 2dmh n TRP 53 Ca -0.07 0.08 -0.32 0.00 -1.31 0.00 0.00 57.50 55.89 2dmh n TRP 53 Cb 0.45 -1.04 -0.06 0.00 -2.01 0.00 0.00 31.31 28.65 2dmh n TRP 53 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 2dmh n ASN 54 N -3.46 -1.50 -4.87 -0.99 0.23 0.19 -4.88 115.26 99.98 2dmh n ASN 54 Ca -0.43 -0.84 -0.21 0.00 -0.53 0.00 0.00 54.58 52.57 2dmh n ASN 54 Cb 0.98 -1.33 -0.03 0.00 -2.08 0.00 0.00 39.78 37.32 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2dmh s GLU 55 N -6.19 2.56 0.01 -3.83 -1.05 -0.91 -4.92 118.70 104.36 2dmh s GLU 55 Ca 0.62 -1.50 0.08 0.00 -0.15 0.00 0.00 54.97 54.01 2dmh s GLU 55 Cb -0.36 -2.39 -0.02 0.00 -0.44 0.00 0.00 34.13 30.92 2dmh s GLU 55 CO 0.76 -0.15 -0.24 0.42 0.95 0.00 0.00 175.26 177.00 2dmh s ILE 56 N -2.45 1.94 0.21 1.83 1.01 -1.26 -0.82 121.20 121.66 2dmh s ILE 56 Ca 0.47 -1.16 0.10 0.00 0.00 0.00 0.00 60.65 60.07 2dmh s ILE 56 Cb -0.04 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.75 2dmh s ILE 56 CO 0.28 0.45 -0.20 -0.76 0.00 0.00 0.00 174.94 174.71 2dmh s LEU 57 N -0.83 2.50 0.01 2.97 1.43 -1.08 -4.97 118.68 118.70 2dmh s LEU 57 Ca 0.10 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2dmh s LEU 57 Cb -0.09 -0.98 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 2dmh s LEU 57 CO 0.00 0.01 -0.01 -1.61 0.23 0.00 0.00 176.35 174.98 2dmh s GLU 58 N -3.09 0.09 0.05 1.70 2.02 -1.26 -1.67 118.70 116.54 2dmh s GLU 58 Ca 0.22 -0.18 0.04 0.00 0.02 0.00 0.00 54.97 55.08 2dmh s GLU 58 Cb -0.05 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.18 2dmh s GLU 58 CO 0.10 -0.01 -0.12 -0.06 0.02 0.00 0.00 175.26 175.18 2dmh s PHE 59 N -0.43 1.08 -0.22 1.61 0.40 0.12 -4.95 117.98 115.60 2dmh s PHE 59 Ca -0.05 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 2dmh s PHE 59 Cb -0.03 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 2dmh s PHE 59 CO -0.00 0.02 0.49 0.34 0.70 0.00 0.00 175.22 176.76 2dmh s ASP 60 N -1.30 6.50 0.11 1.36 -1.08 -1.26 -1.44 116.67 119.54 2dmh s ASP 60 Ca -0.01 0.59 0.18 0.00 -0.52 0.00 0.00 52.55 52.80 2dmh s ASP 60 Cb -0.08 -2.27 -0.09 0.00 -1.46 0.00 0.00 42.92 39.01 2dmh s ASP 60 CO 0.01 -0.18 0.89 0.18 0.52 0.00 0.00 175.17 176.59 2dmh n LEU 61 N 4.91 0.87 -1.95 -1.34 4.77 -0.11 -4.95 117.00 119.19 2dmh n LEU 61 Ca -0.05 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.15 2dmh n LEU 61 Cb 0.50 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2dmh n LEU 61 CO 0.41 0.04 -0.02 0.54 -1.33 0.00 0.00 177.39 177.03 2dmh n ARG 62 N -2.83 -2.90 -0.71 3.23 1.74 -0.70 -2.07 116.66 112.42 2dmh n ARG 62 Ca -0.07 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 2dmh n ARG 62 Cb 0.75 -4.77 0.00 0.00 -1.02 0.00 0.00 32.46 27.43 2dmh n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dmh n GLY 63 N -1.22 1.41 3.59 -0.13 0.00 0.90 -4.98 105.19 104.76 2dmh n GLY 63 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2dmh n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmh s ILE 64 N -3.64 4.60 1.21 -0.61 -1.09 -0.88 -4.80 121.20 116.00 2dmh s ILE 64 Ca 0.00 0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 59.19 2dmh s ILE 64 Cb 0.00 -4.32 0.29 0.00 -1.58 0.00 0.00 42.46 36.85 2dmh s ILE 64 CO 0.00 -0.59 1.11 -2.16 -1.23 0.00 0.00 174.94 172.07 2dmh s PRO 65 N 3.43 -1.26 0.23 2.79 0.04 -1.26 -4.82 135.00 134.16 2dmh s PRO 65 Ca 0.36 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.34 2dmh s PRO 65 Cb -0.12 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2dmh s PRO 65 CO 0.20 -3.73 0.39 -0.51 0.04 0.00 0.00 177.00 173.39 2dmh s LEU 66 N -6.95 4.23 0.29 -3.56 1.43 -1.26 -5.09 118.68 107.78 2dmh s LEU 66 Ca 0.71 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2dmh s LEU 66 Cb -0.09 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 2dmh s LEU 66 CO 0.56 -0.09 0.09 -1.81 0.23 0.00 0.00 176.35 175.34 2dmh s ASP 67 N -3.61 1.65 0.11 2.29 1.11 -1.26 -4.77 116.67 112.19 2dmh s ASP 67 Ca 0.37 -1.41 0.07 0.00 0.18 0.00 0.00 52.55 51.76 2dmh s ASP 67 Cb -0.10 0.12 0.38 0.00 1.07 0.00 0.00 42.92 44.39 2dmh s ASP 67 CO 0.30 -0.71 1.19 0.49 1.18 0.00 0.00 175.17 177.62 2dmh n PHE 68 N -0.56 0.24 -0.05 4.23 3.01 -1.26 -0.73 117.46 122.34 2dmh n PHE 68 Ca -0.01 0.12 -0.11 0.00 1.01 0.00 0.00 57.45 58.46 2dmh n PHE 68 Cb 0.66 -0.67 -0.14 0.00 -0.01 0.00 0.00 39.48 39.32 2dmh n PHE 68 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2dmh n SER 69 N -1.73 0.86 -4.32 4.37 7.64 -1.26 -4.60 113.62 114.58 2dmh n SER 69 Ca -0.00 0.23 -0.41 0.00 1.01 0.00 0.00 58.87 59.70 2dmh n SER 69 Cb 0.05 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2dmh n SER 69 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dmh n SER 70 N -3.03 -2.63 -3.58 6.43 3.41 0.09 -4.87 113.62 109.45 2dmh n SER 70 Ca -0.25 0.79 -0.07 0.00 -0.26 0.00 0.00 58.87 59.07 2dmh n SER 70 Cb 1.08 -0.93 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 2dmh n SER 70 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmh s SER 71 N -1.01 -0.26 0.14 4.04 1.04 -1.26 -2.40 113.70 113.98 2dmh s SER 71 Ca 0.60 0.17 0.06 0.00 0.48 0.00 0.00 55.95 57.25 2dmh s SER 71 Cb -0.59 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 2dmh s SER 71 CO 0.62 -0.33 0.03 -0.22 0.98 0.00 0.00 173.24 174.32 2dmh s LEU 72 N -1.65 3.48 -0.21 2.42 2.96 0.51 -4.89 118.68 121.30 2dmh s LEU 72 Ca 0.04 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2dmh s LEU 72 Cb -0.01 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.54 2dmh s LEU 72 CO -0.04 0.12 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.17 2dmh s GLY 73 N -2.70 1.53 -0.35 7.98 0.00 -1.23 -0.75 107.32 111.80 2dmh s GLY 73 Ca 0.27 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 2dmh s GLY 73 CO 0.19 0.41 0.12 -0.42 0.00 0.00 0.00 173.10 173.40 2dmh s ILE 74 N 1.34 3.79 -0.22 0.90 -1.09 0.25 -2.80 121.20 123.36 2dmh s ILE 74 Ca 0.03 -1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 57.25 2dmh s ILE 74 Cb -0.15 -3.18 0.02 0.00 -1.58 0.00 0.00 42.46 37.58 2dmh s ILE 74 CO -0.08 -0.22 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.68 2dmh s ILE 75 N 1.39 2.66 -0.28 2.92 1.01 -1.05 -0.81 121.20 127.04 2dmh s ILE 75 Ca -0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 2dmh s ILE 75 Cb -0.20 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2dmh s ILE 75 CO 0.02 0.32 0.09 -0.69 0.00 0.00 0.00 174.94 174.69 2dmh s VAL 76 N 1.32 4.23 0.39 2.92 1.01 -0.81 -2.07 120.40 127.40 2dmh s VAL 76 Ca 0.02 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.58 2dmh s VAL 76 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2dmh s VAL 76 CO -0.07 0.16 0.11 -0.54 0.00 0.00 0.00 175.10 174.77 2dmh s LYS 77 N 1.57 1.88 -0.33 2.72 1.02 -1.21 -2.72 119.74 122.65 2dmh s LYS 77 Ca 0.04 -2.13 -0.16 0.00 0.02 0.00 0.00 55.97 53.74 2dmh s LYS 77 Cb -0.16 -0.66 -0.01 0.00 -0.52 0.00 0.00 37.83 36.47 2dmh s LYS 77 CO 0.04 -0.42 0.41 0.34 -0.92 0.00 0.00 175.35 174.80 2dmh s ASP 78 N -3.59 6.23 0.16 2.83 -1.08 -1.26 -2.64 116.67 117.33 2dmh s ASP 78 Ca 0.26 -0.09 -0.26 0.00 -0.52 0.00 0.00 52.55 51.94 2dmh s ASP 78 Cb 0.04 -2.22 -0.01 0.00 -1.46 0.00 0.00 42.92 39.26 2dmh s ASP 78 CO 0.14 -0.36 1.39 0.33 0.52 0.00 0.00 175.17 177.19 2dmh n PHE 79 N 5.49 -0.32 -0.35 -5.34 7.35 -0.90 0.24 117.46 123.65 2dmh n PHE 79 Ca -0.08 1.12 0.04 0.00 -0.76 0.00 0.00 57.45 57.78 2dmh n PHE 79 Cb 0.49 -0.62 0.11 0.00 0.35 0.00 0.00 39.48 39.82 2dmh n PHE 79 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2dmh n GLU 80 N -5.16 -0.11 -3.32 -4.13 1.02 -1.26 -3.67 120.64 104.00 2dmh n GLU 80 Ca 0.03 1.47 -0.43 0.00 -0.02 0.00 0.00 57.16 58.22 2dmh n GLU 80 Cb 0.26 -2.20 -0.09 0.00 -0.02 0.00 0.00 31.44 29.39 2dmh n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2dmh s THR 81 N -6.13 5.09 -0.13 2.62 -4.23 0.14 -4.90 115.64 108.09 2dmh s THR 81 Ca -0.14 -0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.95 2dmh s THR 81 Cb 0.24 -4.03 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 2dmh s THR 81 CO 0.73 -0.41 -0.23 -0.38 -0.54 0.00 0.00 174.62 173.79 2dmh n ILE 82 N 5.44 1.22 -2.19 2.99 2.08 -1.24 -4.25 119.36 123.41 2dmh n ILE 82 Ca -0.07 0.01 -0.36 0.00 0.56 0.00 0.00 62.75 62.89 2dmh n ILE 82 Cb 0.47 -1.93 0.02 0.00 -0.75 0.00 0.00 39.64 37.46 2dmh n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dmh n GLY 83 N 2.03 5.72 3.31 7.39 0.00 -1.26 -4.99 105.19 117.39 2dmh n GLY 83 Ca -0.21 -2.58 -0.17 0.00 0.00 0.00 0.00 46.02 43.05 2dmh n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmh s GLN 84 N -3.95 1.22 -1.12 1.61 0.74 -1.26 -5.03 119.66 111.87 2dmh s GLN 84 Ca 0.49 -1.51 -0.07 0.00 0.05 0.00 0.00 55.36 54.32 2dmh s GLN 84 Cb 0.39 -0.97 -0.08 0.00 1.10 0.00 0.00 33.01 33.45 2dmh s GLN 84 CO -0.32 0.16 2.54 0.09 -0.55 0.00 0.00 175.29 177.21 2dmh n ASN 85 N -0.21 6.41 -4.12 6.67 4.13 -1.26 -4.82 115.26 122.06 2dmh n ASN 85 Ca -0.10 -2.41 -0.15 0.00 1.68 0.00 0.00 54.58 53.60 2dmh n ASN 85 Cb 0.60 -1.28 -0.11 0.00 -1.54 0.00 0.00 39.78 37.44 2dmh n ASN 85 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dmh s LYS 86 N 2.71 0.69 -0.28 3.52 1.02 -1.26 -5.15 119.74 120.99 2dmh s LYS 86 Ca 0.53 -0.91 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 2dmh s LYS 86 Cb 0.15 -0.53 0.09 0.00 -0.52 0.00 0.00 37.83 37.02 2dmh s LYS 86 CO -0.04 0.10 0.78 -1.17 -0.92 0.00 0.00 175.35 174.10 2dmh s LEU 87 N -1.80 -0.79 -0.13 3.17 2.96 -1.26 -4.93 118.68 115.89 2dmh s LEU 87 Ca -0.04 1.33 -0.17 0.00 -0.22 0.00 0.00 54.13 55.02 2dmh s LEU 87 Cb -0.09 2.25 -0.15 0.00 0.50 0.00 0.00 46.19 48.70 2dmh s LEU 87 CO 0.01 -0.21 0.40 0.40 -1.32 0.00 0.00 176.35 175.63 2dmh h ILE 88 N 4.69 1.00 0.00 6.68 2.04 -1.88 -3.45 117.51 126.59 2dmh h ILE 88 Ca -0.29 -1.79 0.00 0.00 1.00 0.00 0.00 64.86 63.78 2dmh h ILE 88 Cb 1.20 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2dmh h ILE 88 CO 0.14 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.24 2dmh n GLY 89 N 1.66 1.49 3.47 5.37 0.00 -1.12 -4.52 105.19 111.53 2dmh n GLY 89 Ca -0.08 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2dmh n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmh s THR 90 N -1.15 2.21 -0.28 2.61 -4.23 0.91 -1.92 115.64 113.79 2dmh s THR 90 Ca 0.00 -2.29 -0.18 0.00 -1.18 0.00 0.00 61.69 58.04 2dmh s THR 90 Cb 0.00 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.55 2dmh s THR 90 CO 0.00 -0.36 0.78 0.00 -0.54 0.00 0.00 174.62 174.50 2dmh s ALA 91 N -2.66 -1.94 -0.19 3.99 0.00 0.01 -0.33 121.76 120.64 2dmh s ALA 91 Ca 0.30 2.27 -0.05 0.00 0.00 0.00 0.00 51.96 54.47 2dmh s ALA 91 Cb -0.01 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 2dmh s ALA 91 CO 0.14 -0.35 0.00 0.99 0.00 0.00 0.00 175.76 176.54 2dmh s THR 92 N 1.23 4.05 0.03 0.00 2.01 -1.26 -0.58 115.64 121.11 2dmh s THR 92 Ca -0.07 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 2dmh s THR 92 Cb -0.05 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 2dmh s THR 92 CO -0.14 0.44 0.28 -0.69 -0.69 0.00 0.00 174.62 173.83 2dmh s VAL 93 N 0.79 5.28 -0.38 3.82 1.01 0.07 -4.93 120.40 126.06 2dmh s VAL 93 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 2dmh s VAL 93 Cb -0.14 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2dmh s VAL 93 CO 0.02 0.32 0.27 0.00 0.00 0.00 0.00 175.10 175.72 2dmh s ALA 94 N -1.34 3.47 -1.44 5.51 0.00 -1.26 -0.36 121.76 126.33 2dmh s ALA 94 Ca 0.29 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2dmh s ALA 94 Cb -0.13 -2.79 0.16 0.00 0.00 0.00 0.00 23.12 20.36 2dmh s ALA 94 CO 0.17 -1.28 0.96 1.28 0.00 0.00 0.00 175.76 176.89 2dmh n LEU 95 N 5.13 1.43 0.24 0.00 4.77 -1.01 -3.92 117.00 123.63 2dmh n LEU 95 Ca -0.12 -0.72 0.09 0.00 -0.03 0.00 0.00 56.01 55.23 2dmh n LEU 95 Cb 0.48 -0.32 0.58 0.00 -2.33 0.00 0.00 43.42 41.84 2dmh n LEU 95 CO 0.39 0.27 0.89 0.07 -1.33 0.00 0.00 177.39 177.68 2dmh h LYS 96 N 0.92 0.00 -0.01 3.23 2.10 -1.75 -2.53 116.57 118.53 2dmh h LYS 96 Ca 0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 2dmh h LYS 96 Cb 0.51 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2dmh h LYS 96 CO 0.05 0.20 -0.88 -0.44 -2.00 0.00 0.00 179.45 176.39 2dmh h ASP 97 N 0.00 0.42 0.85 7.07 3.32 -1.92 -3.04 116.42 123.11 2dmh h ASP 97 Ca -0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2dmh h ASP 97 Cb 0.46 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2dmh h ASP 97 CO 0.03 1.11 0.00 -0.07 -1.72 0.00 0.00 179.24 178.59 2dmh h LEU 98 N 0.19 0.00 -9.63 1.55 3.38 -1.74 -3.45 115.31 105.61 2dmh h LEU 98 Ca -0.06 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.33 2dmh h LEU 98 Cb 1.50 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.38 2dmh h LEU 98 CO 0.14 0.00 0.11 0.35 0.09 0.00 0.00 178.44 179.14 2dmh n THR 99 N -2.32 2.48 -2.47 0.22 -2.24 -1.15 -4.60 114.28 104.20 2dmh n THR 99 Ca 0.02 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2dmh n THR 99 Cb 0.26 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 2dmh n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmh n GLY 100 N 1.24 -0.84 0.75 3.38 0.00 -1.26 -4.94 105.19 103.52 2dmh n GLY 100 Ca 0.10 -1.44 0.07 0.00 0.00 0.00 0.00 46.02 44.76 2dmh n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dmh n ASP 101 N 3.00 2.83 -4.04 1.61 8.00 -1.26 -4.90 116.55 121.79 2dmh n ASP 101 Ca 0.00 -1.85 -0.09 0.00 0.71 0.00 0.00 54.79 53.57 2dmh n ASP 101 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.81 2dmh n ASP 101 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2dmh s GLN 102 N -1.10 0.48 0.23 -1.24 -1.52 -1.26 -4.83 119.66 110.43 2dmh s GLN 102 Ca 0.25 -0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 52.44 2dmh s GLN 102 Cb 0.15 0.10 -0.14 0.00 -0.22 0.00 0.00 33.01 32.89 2dmh s GLN 102 CO 0.20 -0.06 1.19 0.45 -0.25 0.00 0.00 175.29 176.82 2dmh n SER 103 N 0.89 1.80 -3.64 5.90 2.88 -1.26 -4.75 113.62 115.44 2dmh n SER 103 Ca -0.19 1.16 -0.15 0.00 -1.33 0.00 0.00 58.87 58.36 2dmh n SER 103 Cb 0.58 -1.31 -0.14 0.00 -0.75 0.00 0.00 64.21 62.59 2dmh n SER 103 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2dmh s ARG 104 N -0.81 0.12 -0.32 -1.46 3.52 -1.04 -4.99 118.95 113.97 2dmh s ARG 104 Ca 0.67 0.63 -0.02 0.00 -0.13 0.00 0.00 55.73 56.88 2dmh s ARG 104 Cb -0.74 -0.24 0.06 0.00 -1.56 0.00 0.00 34.95 32.47 2dmh s ARG 104 CO 0.54 -0.34 0.04 -1.54 -0.81 0.00 0.00 175.30 173.19 2dmh s SER 105 N 2.38 4.99 -0.27 -2.12 1.04 -1.26 -1.34 113.70 117.11 2dmh s SER 105 Ca 0.03 -1.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.01 2dmh s SER 105 Cb -0.12 -1.74 -0.03 0.00 0.10 0.00 0.00 66.02 64.23 2dmh s SER 105 CO -0.08 -0.30 0.12 -0.76 0.98 0.00 0.00 173.24 173.19 2dmh s LEU 106 N 1.25 3.77 -0.30 2.42 2.01 -1.03 -4.99 118.68 121.81 2dmh s LEU 106 Ca -0.03 -0.26 -0.29 0.00 0.01 0.00 0.00 54.13 53.56 2dmh s LEU 106 Cb -0.20 -1.99 -0.02 0.00 0.01 0.00 0.00 46.19 43.99 2dmh s LEU 106 CO -0.01 -0.09 1.67 -2.16 1.01 0.00 0.00 176.35 176.77 2dmh s PRO 107 N 1.64 3.55 -0.52 1.29 0.04 -1.26 -3.70 135.00 136.04 2dmh s PRO 107 Ca 0.06 1.44 -0.15 0.00 0.04 0.00 0.00 61.00 62.39 2dmh s PRO 107 Cb -0.16 -4.11 0.12 0.00 0.04 0.00 0.00 34.50 30.40 2dmh s PRO 107 CO 0.06 -1.59 0.47 0.71 0.04 0.00 0.00 177.00 176.69 2dmh s TYR 108 N 6.00 3.26 0.32 0.56 1.51 0.15 -5.00 117.35 124.15 2dmh s TYR 108 Ca 0.74 -1.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.55 2dmh s TYR 108 Cb -0.22 -3.68 -0.06 0.00 -0.11 0.00 0.00 41.96 37.88 2dmh s TYR 108 CO 0.32 -0.99 0.05 0.15 -1.11 0.00 0.00 175.55 173.97 2dmh s LYS 109 N 1.59 1.64 -1.51 -0.62 1.02 -1.26 0.19 119.74 120.78 2dmh s LYS 109 Ca 0.03 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.12 2dmh s LYS 109 Cb -0.29 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.15 2dmh s LYS 109 CO 0.03 -0.18 0.00 1.28 -0.92 0.00 0.00 175.35 175.57 2dmh n LEU 110 N -0.67 -1.77 -4.67 3.17 4.77 -1.26 -4.94 117.00 111.63 2dmh n LEU 110 Ca -0.02 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.54 2dmh n LEU 110 Cb 0.66 -2.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.19 2dmh n LEU 110 CO 0.42 -0.22 1.09 -0.63 -1.33 0.00 0.00 177.39 176.73 2dmh s ILE 111 N -2.86 4.12 -0.38 -0.08 1.01 -1.25 -4.92 121.20 116.85 2dmh s ILE 111 Ca 0.00 1.40 -0.26 0.00 0.00 0.00 0.00 60.65 61.79 2dmh s ILE 111 Cb 0.00 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2dmh s ILE 111 CO 0.00 -0.08 0.96 -0.44 0.00 0.00 0.00 174.94 175.38 2dmh s SER 112 N 2.01 6.69 0.41 3.58 0.01 -1.26 -3.53 113.70 121.61 2dmh s SER 112 Ca 0.58 0.58 -0.20 0.00 1.31 0.00 0.00 55.95 58.22 2dmh s SER 112 Cb -0.25 -2.48 -0.11 0.00 0.21 0.00 0.00 66.02 63.40 2dmh s SER 112 CO 0.19 -0.91 0.92 -0.76 0.41 0.00 0.00 173.24 173.09 2dmh s LEU 113 N 3.60 3.98 -0.00 2.44 1.43 -0.72 -4.78 118.68 124.63 2dmh s LEU 113 Ca 0.40 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 2dmh s LEU 113 Cb -0.11 -4.44 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 2dmh s LEU 113 CO 0.20 -0.32 -0.10 -0.76 0.23 0.00 0.00 176.35 175.60 2dmh s LEU 114 N -3.09 2.03 0.00 1.79 1.43 0.55 -1.56 118.68 119.83 2dmh s LEU 114 Ca 0.60 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 2dmh s LEU 114 Cb -0.10 -0.51 0.17 0.00 0.03 0.00 0.00 46.19 45.78 2dmh s LEU 114 CO 0.14 0.11 0.46 -0.46 0.23 0.00 0.00 176.35 176.83 2dmh n ASN 115 N 2.75 -2.46 0.32 2.29 0.23 -1.02 -0.06 115.26 117.31 2dmh n ASN 115 Ca -0.14 -0.58 0.20 0.00 -0.53 0.00 0.00 54.58 53.53 2dmh n ASN 115 Cb 0.56 -0.48 1.10 0.00 -2.08 0.00 0.00 39.78 38.89 2dmh n ASN 115 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2dmh h GLU 116 N 0.00 0.00 0.03 -3.83 4.11 -1.93 -0.68 114.58 112.28 2dmh h GLU 116 Ca -0.19 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.97 2dmh h GLU 116 Cb 0.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2dmh h GLU 116 CO 0.12 0.00 -1.40 0.87 0.07 0.00 0.00 179.01 178.67 2dmh h LYS 117 N 0.00 0.05 0.00 1.06 1.79 -2.00 -3.48 116.57 114.00 2dmh h LYS 117 Ca 0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2dmh h LYS 117 Cb 0.05 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2dmh h LYS 117 CO -0.00 0.83 0.00 0.41 -1.08 0.00 0.00 179.45 179.61 2dmh n GLY 118 N 1.50 1.16 3.79 3.86 0.00 -0.26 -5.10 105.19 110.14 2dmh n GLY 118 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2dmh n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmh s GLN 119 N -0.53 4.49 -0.86 1.61 -1.52 -1.26 -4.73 119.66 116.85 2dmh s GLN 119 Ca 0.00 1.31 -0.26 0.00 -1.95 0.00 0.00 55.36 54.46 2dmh s GLN 119 Cb 0.00 -2.67 -0.15 0.00 -0.22 0.00 0.00 33.01 29.97 2dmh s GLN 119 CO 0.00 0.19 2.34 0.16 -0.25 0.00 0.00 175.29 177.73 2dmh s ASP 120 N -1.71 3.81 0.32 5.90 1.47 -1.26 -2.44 116.67 122.76 2dmh s ASP 120 Ca 0.53 -0.18 0.09 0.00 1.18 0.00 0.00 52.55 54.17 2dmh s ASP 120 Cb -0.17 -2.56 0.86 0.00 -0.34 0.00 0.00 42.92 40.71 2dmh s ASP 120 CO 0.22 -4.06 1.75 0.71 0.68 0.00 0.00 175.17 174.48 2dmh h THR 121 N 7.48 0.60 0.00 2.11 1.35 -1.61 -3.46 112.91 119.37 2dmh h THR 121 Ca 0.01 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2dmh h THR 121 Cb 1.00 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2dmh h THR 121 CO 1.01 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 2dmh n GLY 122 N -1.33 1.83 3.25 5.82 0.00 -1.25 -4.87 105.19 108.63 2dmh n GLY 122 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2dmh n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmh s ALA 123 N -2.00 2.02 0.07 4.61 0.00 -1.18 -4.54 121.76 120.74 2dmh s ALA 123 Ca 0.00 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 51.06 2dmh s ALA 123 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 2dmh s ALA 123 CO 0.00 0.41 -0.22 0.95 0.00 0.00 0.00 175.76 176.90 2dmh s THR 124 N -0.22 2.49 -0.04 0.00 -4.23 -0.59 -1.76 115.64 111.29 2dmh s THR 124 Ca -0.01 -1.39 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2dmh s THR 124 Cb -0.12 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.69 2dmh s THR 124 CO 0.02 0.28 0.11 -0.51 -0.54 0.00 0.00 174.62 173.98 2dmh s ILE 125 N -0.94 -0.01 -0.07 2.99 2.07 -1.23 -1.04 121.20 122.97 2dmh s ILE 125 Ca 0.14 0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.28 2dmh s ILE 125 Cb -0.10 -0.17 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 2dmh s ILE 125 CO 0.05 0.02 0.35 -1.81 -1.91 0.00 0.00 174.94 171.64 2dmh s ASP 126 N 0.31 6.64 -0.06 4.50 1.11 -0.92 -3.78 116.67 124.48 2dmh s ASP 126 Ca -0.02 0.76 -0.09 0.00 0.18 0.00 0.00 52.55 53.38 2dmh s ASP 126 Cb -0.03 -2.21 0.02 0.00 1.07 0.00 0.00 42.92 41.76 2dmh s ASP 126 CO -0.01 0.23 0.23 -0.76 1.18 0.00 0.00 175.17 176.04 2dmh s LEU 127 N -0.44 1.16 -0.35 1.23 1.43 0.13 -2.98 118.68 118.87 2dmh s LEU 127 Ca 0.21 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2dmh s LEU 127 Cb -0.15 0.86 0.10 0.00 0.03 0.00 0.00 46.19 47.04 2dmh s LEU 127 CO 0.09 -0.21 0.10 -0.69 0.23 0.00 0.00 176.35 175.87 2dmh s VAL 128 N -0.47 1.61 -0.06 -1.59 1.01 -0.78 0.32 120.40 120.44 2dmh s VAL 128 Ca -0.06 -2.01 -0.14 0.00 0.00 0.00 0.00 61.98 59.78 2dmh s VAL 128 Cb -0.04 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2dmh s VAL 128 CO 0.01 -0.67 0.36 -0.63 0.00 0.00 0.00 175.10 174.17 2dmh s ILE 129 N 1.10 5.17 -0.09 2.22 1.01 -1.24 -2.04 121.20 127.32 2dmh s ILE 129 Ca 0.11 0.71 0.02 0.00 0.00 0.00 0.00 60.65 61.49 2dmh s ILE 129 Cb -0.19 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.63 2dmh s ILE 129 CO -0.14 0.52 -0.13 -0.83 0.00 0.00 0.00 174.94 174.35 2dmh s GLY 130 N -0.56 0.92 0.18 6.18 0.00 -0.64 -2.46 107.32 110.94 2dmh s GLY 130 Ca 0.21 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 2dmh s GLY 130 CO 0.10 0.27 0.45 -0.47 0.00 0.00 0.00 173.10 173.45 2dmh s TYR 131 N 0.97 3.45 -0.13 1.90 5.04 -0.45 -2.50 117.35 125.63 2dmh s TYR 131 Ca -0.08 0.70 -0.04 0.00 -2.44 0.00 0.00 57.07 55.21 2dmh s TYR 131 Cb -0.15 -2.12 0.06 0.00 0.35 0.00 0.00 41.96 40.10 2dmh s TYR 131 CO -0.00 0.36 0.13 0.34 -1.34 0.00 0.00 175.55 175.03 2dmh s ASP 132 N -2.40 1.56 0.15 4.32 2.15 -1.22 -2.51 116.67 118.72 2dmh s ASP 132 Ca 0.44 -0.19 -0.31 0.00 0.43 0.00 0.00 52.55 52.92 2dmh s ASP 132 Cb -0.12 0.02 -0.08 0.00 -0.30 0.00 0.00 42.92 42.44 2dmh s ASP 132 CO 0.23 -0.30 1.34 -2.16 -0.17 0.00 0.00 175.17 174.10 2dmh s PRO 133 N 2.22 4.36 0.41 4.34 0.04 -1.26 -3.48 135.00 141.63 2dmh s PRO 133 Ca 0.04 2.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 2dmh s PRO 133 Cb -0.14 -3.23 -0.08 0.00 0.04 0.00 0.00 34.50 31.09 2dmh s PRO 133 CO -0.08 -0.33 1.18 -1.25 0.04 0.00 0.00 177.00 176.57 2dmh s PRO 134 N 0.51 3.98 -0.19 0.56 0.04 -1.26 -4.65 135.00 133.99 2dmh s PRO 134 Ca 0.60 1.86 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 2dmh s PRO 134 Cb -0.36 -2.63 0.08 0.00 0.04 0.00 0.00 34.50 31.63 2dmh s PRO 134 CO 0.34 -0.39 0.41 0.45 0.04 0.00 0.00 177.00 177.84 2dmh s SER 135 N -1.13 -0.27 0.28 6.66 0.15 -0.28 -4.91 113.70 114.19 2dmh s SER 135 Ca 0.58 0.94 0.05 0.00 0.70 0.00 0.00 55.95 58.23 2dmh s SER 135 Cb -0.31 1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 65.16 2dmh s SER 135 CO 0.39 -0.22 0.19 0.61 1.20 0.00 0.00 173.24 175.41 2dmh n GLY 136 N 5.14 3.23 0.06 9.45 0.00 -1.26 -3.49 105.19 118.32 2dmh n GLY 136 Ca -0.12 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.09 2dmh n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmh n PRO 137 N -0.56 0.09 -1.40 1.61 -0.04 -1.26 -4.79 135.00 128.65 2dmh n PRO 137 Ca 0.03 0.34 -0.50 0.00 -0.04 0.00 0.00 63.50 63.33 2dmh n PRO 137 Cb 0.48 -1.68 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 2dmh n PRO 137 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmh n SER 138 N -1.86 1.36 -0.30 3.54 2.88 -1.26 -4.78 113.62 113.21 2dmh n SER 138 Ca 0.03 0.37 -0.01 0.00 -1.33 0.00 0.00 58.87 57.92 2dmh n SER 138 Cb 0.19 -1.11 0.02 0.00 -0.75 0.00 0.00 64.21 62.57 2dmh n SER 138 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmh n SER 139 N 9.79 -0.52 0.00 -3.46 7.64 -1.26 -5.19 113.62 120.61 2dmh n SER 139 Ca 0.50 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.71 2dmh n SER 139 Cb 0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2dmh n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64