#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 5.76 0.09 1.61 1.04 -1.26 -5.13 113.70 115.80 2dmh s SER 2 Ca 0.00 -0.29 -0.19 0.00 0.48 0.00 0.00 55.95 55.95 2dmh s SER 2 Cb 0.00 -1.15 0.04 0.00 0.10 0.00 0.00 66.02 65.02 2dmh s SER 2 CO 0.00 -0.41 0.46 -0.44 0.98 0.00 0.00 173.24 173.83 2dmh s SER 3 N -4.12 -0.34 0.00 7.02 0.01 -1.26 -5.07 113.70 109.94 2dmh s SER 3 Ca 0.44 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2dmh s SER 3 Cb -0.08 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2dmh s SER 3 CO 0.30 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2dmh n GLY 4 N 0.12 0.60 3.62 3.44 0.00 -1.26 -5.09 105.19 106.62 2dmh n GLY 4 Ca -0.17 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 2dmh n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmh n SER 5 N 0.00 1.58 -2.12 1.61 7.64 -1.26 -4.92 113.62 116.15 2dmh n SER 5 Ca 0.00 1.14 -0.22 0.00 1.01 0.00 0.00 58.87 60.80 2dmh n SER 5 Cb 0.00 -1.35 0.02 0.00 -1.01 0.00 0.00 64.21 61.87 2dmh n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dmh n SER 6 N 0.93 4.61 -1.61 6.43 7.64 -1.26 -2.91 113.62 127.46 2dmh n SER 6 Ca 0.08 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.37 2dmh n SER 6 Cb 0.35 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 -0.68 -4.69 3.60 0.23 0.00 -1.26 -0.97 105.19 101.42 2dmh n GLY 7 Ca 0.40 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.50 0.64 -0.34 1.61 -2.45 -1.20 -2.72 119.30 111.34 2dmh s MET 8 Ca 0.00 1.26 -0.13 0.00 -1.25 0.00 0.00 55.69 55.57 2dmh s MET 8 Cb 0.00 0.34 -0.02 0.00 1.25 0.00 0.00 34.83 36.40 2dmh s MET 8 CO 0.00 -0.17 0.24 -1.17 1.05 0.00 0.00 175.02 174.97 2dmh s LEU 9 N 2.00 4.50 -0.11 4.11 2.96 -1.01 -3.91 118.68 127.23 2dmh s LEU 9 Ca -0.09 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2dmh s LEU 9 Cb -0.07 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 2dmh s LEU 9 CO -0.19 -0.23 0.18 -0.13 -1.32 0.00 0.00 176.35 174.66 2dmh s ARG 10 N 1.72 3.59 -0.33 1.98 0.52 -1.12 -0.14 118.95 125.18 2dmh s ARG 10 Ca 0.06 -0.06 -0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2dmh s ARG 10 Cb -0.17 -3.22 0.11 0.00 0.52 0.00 0.00 34.95 32.18 2dmh s ARG 10 CO 0.10 0.71 0.12 0.08 0.02 0.00 0.00 175.30 176.33 2dmh s VAL 11 N -0.87 1.00 -0.01 3.52 1.01 -0.62 -1.61 120.40 122.82 2dmh s VAL 11 Ca 0.16 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.34 2dmh s VAL 11 Cb -0.13 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2dmh s VAL 11 CO 0.05 -0.71 0.56 -0.63 0.00 0.00 0.00 175.10 174.36 2dmh s ILE 12 N 1.40 4.93 -0.43 2.22 1.01 -0.66 -1.57 121.20 128.10 2dmh s ILE 12 Ca 0.11 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2dmh s ILE 12 Cb -0.18 -3.89 0.12 0.00 0.01 0.00 0.00 42.46 38.51 2dmh s ILE 12 CO -0.20 0.44 0.19 -0.69 0.00 0.00 0.00 174.94 174.68 2dmh s VAL 13 N -0.31 2.90 0.00 2.92 1.01 -1.10 -0.60 120.40 125.22 2dmh s VAL 13 Ca 0.29 -2.45 0.00 0.00 0.00 0.00 0.00 61.98 59.82 2dmh s VAL 13 Cb -0.18 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2dmh s VAL 13 CO 0.16 -0.70 0.88 -0.62 0.00 0.00 0.00 175.10 174.83 2dmh n GLU 14 N 4.13 0.00 -3.61 2.72 1.02 -1.20 -0.74 120.64 122.95 2dmh n GLU 14 Ca 0.02 0.48 -0.02 0.00 -0.02 0.00 0.00 57.16 57.62 2dmh n GLU 14 Cb 0.40 -1.38 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2dmh n GLU 14 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2dmh s SER 15 N -2.18 -0.11 0.35 1.62 1.04 -1.26 -0.84 113.70 112.31 2dmh s SER 15 Ca 0.00 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.43 2dmh s SER 15 Cb 0.00 0.18 -0.07 0.00 0.10 0.00 0.00 66.02 66.23 2dmh s SER 15 CO 0.00 -0.31 -0.07 0.00 0.98 0.00 0.00 173.24 173.84 2dmh s ALA 16 N -2.49 2.94 0.23 5.32 0.00 -1.03 -1.70 121.76 125.02 2dmh s ALA 16 Ca 0.12 -2.12 -0.20 0.00 0.00 0.00 0.00 51.96 49.75 2dmh s ALA 16 Cb 0.02 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.20 2dmh s ALA 16 CO -0.04 0.02 0.62 -1.12 0.00 0.00 0.00 175.76 175.24 2dmh s SER 17 N -3.61 -0.33 -0.79 0.00 0.01 0.68 -3.38 113.70 106.28 2dmh s SER 17 Ca 0.33 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 57.12 2dmh s SER 17 Cb 0.04 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2dmh s SER 17 CO 0.16 -1.16 0.68 0.59 0.41 0.00 0.00 173.24 173.92 2dmh n ASN 18 N -0.40 -3.44 -4.80 2.44 3.02 -1.26 -0.88 115.26 109.94 2dmh n ASN 18 Ca -0.09 -0.36 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 2dmh n ASN 18 Cb 0.62 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 36.40 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 -3.21 4.82 -0.56 2.41 1.01 -1.26 -2.95 121.20 121.46 2dmh s ILE 19 Ca 0.19 1.17 -0.27 0.00 0.00 0.00 0.00 60.65 61.74 2dmh s ILE 19 Cb -0.08 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2dmh s ILE 19 CO 0.45 0.52 1.83 -2.16 0.00 0.00 0.00 174.94 175.58 2dmh s PRO 20 N -0.87 2.78 0.86 2.79 0.04 -1.26 -4.92 135.00 134.42 2dmh s PRO 20 Ca 0.29 0.76 -0.12 0.00 0.04 0.00 0.00 61.00 61.97 2dmh s PRO 20 Cb -0.19 -4.34 0.18 0.00 0.04 0.00 0.00 34.50 30.19 2dmh s PRO 20 CO 0.18 -2.54 0.41 0.36 0.04 0.00 0.00 177.00 175.45 2dmh n LYS 21 N 9.01 -1.78 -4.37 4.56 2.85 -1.26 -4.87 118.16 122.30 2dmh n LYS 21 Ca 0.21 -0.69 -0.28 0.00 -1.05 0.00 0.00 58.31 56.50 2dmh n LYS 21 Cb 0.51 -1.22 -0.08 0.00 -0.65 0.00 0.00 35.03 33.60 2dmh n LYS 21 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2dmh s THR 22 N -1.74 1.88 -0.81 0.58 -4.23 -0.31 -4.92 115.64 106.08 2dmh s THR 22 Ca 0.32 -1.82 -0.25 0.00 -1.18 0.00 0.00 61.69 58.75 2dmh s THR 22 Cb -0.06 -2.70 -0.09 0.00 1.34 0.00 0.00 72.50 70.99 2dmh s THR 22 CO 0.27 0.00 2.21 -1.59 -0.54 0.00 0.00 174.62 174.96 2dmh s LYS 23 N -3.89 2.04 -0.58 3.99 -2.85 -1.26 -2.90 119.74 114.29 2dmh s LYS 23 Ca 0.30 0.23 -0.01 0.00 -1.00 0.00 0.00 55.97 55.49 2dmh s LYS 23 Cb 0.04 -4.87 -0.02 0.00 -2.06 0.00 0.00 37.83 30.93 2dmh s LYS 23 CO 0.17 -3.91 0.49 1.19 0.10 0.00 0.00 175.35 173.39 2dmh n PHE 24 N 16.47 -1.18 0.00 1.78 3.72 -1.26 -5.01 117.46 131.98 2dmh n PHE 24 Ca 0.43 0.46 0.00 0.00 -0.05 0.00 0.00 57.45 58.29 2dmh n PHE 24 Cb 0.46 -3.47 0.00 0.00 -0.94 0.00 0.00 39.48 35.53 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 -1.20 0.14 3.02 1.37 0.00 -1.14 -5.13 105.19 102.24 2dmh n GLY 25 Ca -0.10 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 2.21 0.98 1.61 1.02 -1.26 -1.17 119.74 121.14 2dmh s LYS 26 Ca 0.00 -0.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 2dmh s LYS 26 Cb 0.00 -1.98 0.18 0.00 -0.52 0.00 0.00 37.83 35.51 2dmh s LYS 26 CO 0.00 -0.17 1.09 -1.25 -0.92 0.00 0.00 175.35 174.10 2dmh s PRO 27 N 1.31 0.55 -0.53 -1.68 0.04 -1.26 -4.31 135.00 129.12 2dmh s PRO 27 Ca 0.01 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 2dmh s PRO 27 Cb -0.14 -1.75 0.13 0.00 0.04 0.00 0.00 34.50 32.79 2dmh s PRO 27 CO -0.07 -2.66 0.44 -0.51 0.04 0.00 0.00 177.00 174.24 2dmh s ASP 28 N -3.45 5.95 0.50 6.66 1.11 -1.26 -3.61 116.67 122.57 2dmh s ASP 28 Ca 0.65 -1.96 -0.21 0.00 0.18 0.00 0.00 52.55 51.20 2dmh s ASP 28 Cb -0.18 -2.10 -0.07 0.00 1.07 0.00 0.00 42.92 41.64 2dmh s ASP 28 CO 0.57 -0.74 1.15 -2.16 1.18 0.00 0.00 175.17 175.18 2dmh s PRO 29 N 1.31 3.57 -0.23 8.23 0.04 -1.25 -1.01 135.00 145.65 2dmh s PRO 29 Ca 0.06 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 2dmh s PRO 29 Cb -0.26 -2.22 0.08 0.00 0.04 0.00 0.00 34.50 32.15 2dmh s PRO 29 CO -0.00 -0.69 0.55 -1.50 0.04 0.00 0.00 177.00 175.39 2dmh s ILE 30 N -1.65 -0.31 0.02 0.56 2.07 -1.11 -2.68 121.20 118.11 2dmh s ILE 30 Ca 0.68 0.06 -0.29 0.00 -1.41 0.00 0.00 60.65 59.68 2dmh s ILE 30 Cb -0.26 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 2dmh s ILE 30 CO 0.31 0.02 0.95 -0.69 -1.91 0.00 0.00 174.94 173.63 2dmh s VAL 31 N 1.98 4.80 -0.31 4.00 1.01 -1.26 -3.43 120.40 127.19 2dmh s VAL 31 Ca -0.08 2.01 0.01 0.00 0.00 0.00 0.00 61.98 63.93 2dmh s VAL 31 Cb -0.09 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.09 2dmh s VAL 31 CO -0.16 0.20 0.05 -0.44 0.00 0.00 0.00 175.10 174.75 2dmh s SER 32 N 0.76 4.28 -0.03 3.32 0.01 -1.13 -1.46 113.70 119.44 2dmh s SER 32 Ca 0.50 -1.74 -0.15 0.00 1.31 0.00 0.00 55.95 55.86 2dmh s SER 32 Cb -0.21 -1.22 -0.05 0.00 0.21 0.00 0.00 66.02 64.74 2dmh s SER 32 CO 0.28 -0.37 0.42 -0.69 0.41 0.00 0.00 173.24 173.29 2dmh s VAL 33 N 1.30 5.07 -0.11 3.43 1.01 0.14 -2.52 120.40 128.71 2dmh s VAL 33 Ca 0.07 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2dmh s VAL 33 Cb -0.18 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2dmh s VAL 33 CO -0.15 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 174.73 2dmh s ILE 34 N -0.65 1.23 -0.21 2.22 1.09 -1.02 -0.29 121.20 123.57 2dmh s ILE 34 Ca 0.24 -0.46 -0.15 0.00 -1.10 0.00 0.00 60.65 59.18 2dmh s ILE 34 Cb -0.16 -1.17 0.06 0.00 -1.06 0.00 0.00 42.46 40.12 2dmh s ILE 34 CO 0.12 0.39 0.53 0.12 -0.10 0.00 0.00 174.94 176.00 2dmh s PHE 35 N 1.28 -0.69 -1.34 3.97 5.36 -1.01 -3.41 117.98 122.14 2dmh s PHE 35 Ca -0.02 1.53 -0.01 0.00 -0.96 0.00 0.00 56.93 57.47 2dmh s PHE 35 Cb -0.14 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 42.86 2dmh s PHE 35 CO -0.04 -0.35 0.68 1.63 -1.46 0.00 0.00 175.22 175.68 2dmh n LYS 36 N 3.56 -4.74 -2.52 10.12 4.76 -1.26 -0.69 118.16 127.39 2dmh n LYS 36 Ca -0.18 0.59 -0.15 0.00 -2.87 0.00 0.00 58.31 55.70 2dmh n LYS 36 Cb 0.56 -5.12 -0.00 0.00 -1.84 0.00 0.00 35.03 28.63 2dmh n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dmh n ASP 37 N -3.03 -4.42 -3.96 4.39 8.00 -1.26 -4.93 116.55 111.34 2dmh n ASP 37 Ca -0.28 0.09 -0.31 0.00 0.71 0.00 0.00 54.79 55.00 2dmh n ASP 37 Cb 0.67 -3.72 -0.15 0.00 -0.02 0.00 0.00 41.12 37.90 2dmh n ASP 37 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dmh s GLU 38 N -5.13 1.42 -0.28 -1.24 2.56 0.14 -5.09 118.70 111.07 2dmh s GLU 38 Ca 0.04 -1.59 -0.26 0.00 0.00 0.00 0.00 54.97 53.16 2dmh s GLU 38 Cb -0.02 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.23 2dmh s GLU 38 CO 0.05 -0.88 0.90 0.21 -0.56 0.00 0.00 175.26 174.98 2dmh s LYS 39 N 1.10 4.09 -0.07 4.30 2.20 -1.26 -2.39 119.74 127.71 2dmh s LYS 39 Ca 0.07 0.90 -0.00 0.00 -0.36 0.00 0.00 55.97 56.58 2dmh s LYS 39 Cb -0.19 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.46 2dmh s LYS 39 CO -0.11 -0.68 -0.03 0.15 -0.36 0.00 0.00 175.35 174.32 2dmh s LYS 40 N 3.11 0.89 0.22 4.03 1.02 0.61 -5.01 119.74 124.62 2dmh s LYS 40 Ca 0.38 -0.06 0.10 0.00 0.02 0.00 0.00 55.97 56.41 2dmh s LYS 40 Cb -0.14 -1.03 -0.05 0.00 -0.52 0.00 0.00 37.83 36.09 2dmh s LYS 40 CO 0.11 -0.19 -0.19 -1.59 -0.92 0.00 0.00 175.35 172.57 2dmh s LYS 41 N 1.43 1.49 0.69 1.68 -2.85 -1.26 0.25 119.74 121.17 2dmh s LYS 41 Ca -0.03 -1.61 -0.04 0.00 -1.00 0.00 0.00 55.97 53.30 2dmh s LYS 41 Cb -0.13 -1.54 0.09 0.00 -2.06 0.00 0.00 37.83 34.18 2dmh s LYS 41 CO -0.03 0.30 0.97 0.95 0.10 0.00 0.00 175.35 177.64 2dmh s THR 42 N -2.37 2.31 -0.07 3.79 -4.23 -0.54 -5.00 115.64 109.54 2dmh s THR 42 Ca 0.24 -0.45 -0.30 0.00 -1.18 0.00 0.00 61.69 60.00 2dmh s THR 42 Cb -0.05 -2.86 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 2dmh s THR 42 CO 0.10 0.00 1.68 -1.59 -0.54 0.00 0.00 174.62 174.28 2dmh s LYS 43 N -5.14 4.11 1.01 3.99 -2.85 -1.26 -4.67 119.74 114.93 2dmh s LYS 43 Ca 0.62 2.15 -0.17 0.00 -1.00 0.00 0.00 55.97 57.58 2dmh s LYS 43 Cb -0.08 -4.01 -0.01 0.00 -2.06 0.00 0.00 37.83 31.66 2dmh s LYS 43 CO 0.44 -0.93 -0.19 0.36 0.10 0.00 0.00 175.35 175.13 2dmh n LYS 44 N 7.25 -0.55 -4.47 1.78 2.85 -1.26 -4.94 118.16 118.82 2dmh n LYS 44 Ca 0.18 -0.14 -0.27 0.00 -1.05 0.00 0.00 58.31 57.03 2dmh n LYS 44 Cb 0.43 -1.54 -0.17 0.00 -0.65 0.00 0.00 35.03 33.11 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 -2.22 1.33 1.11 0.58 1.01 -1.09 -5.05 120.40 116.06 2dmh s VAL 45 Ca 0.51 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 2dmh s VAL 45 Cb -0.14 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.09 2dmh s VAL 45 CO 0.70 0.40 -0.21 0.47 0.00 0.00 0.00 175.10 176.47 2dmh n ASP 46 N 4.11 -2.48 -4.16 3.32 8.00 -1.26 -3.88 116.55 120.21 2dmh n ASP 46 Ca -0.20 -0.13 -0.38 0.00 0.71 0.00 0.00 54.79 54.80 2dmh n ASP 46 Cb 0.51 -0.88 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 2dmh n ASP 46 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2dmh n ASN 47 N -0.99 0.24 -3.64 -2.24 6.94 -1.26 -4.79 115.26 109.53 2dmh n ASN 47 Ca 0.00 0.16 -0.06 0.00 -0.02 0.00 0.00 54.58 54.66 2dmh n ASN 47 Cb 0.64 -0.84 -0.07 0.00 -2.36 0.00 0.00 39.78 37.14 2dmh n ASN 47 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2dmh s GLU 48 N 8.28 0.62 -0.00 -3.83 2.56 -1.24 -4.96 118.70 120.14 2dmh s GLU 48 Ca 1.26 1.05 -0.23 0.00 0.00 0.00 0.00 54.97 57.05 2dmh s GLU 48 Cb -1.16 0.14 -0.19 0.00 2.00 0.00 0.00 34.13 34.92 2dmh s GLU 48 CO 0.45 -0.13 1.20 -0.07 -0.56 0.00 0.00 175.26 176.16 2dmh h LEU 49 N 6.59 0.27 -7.39 2.70 4.07 -1.87 -3.38 115.31 116.31 2dmh h LEU 49 Ca -0.29 -0.60 -0.73 0.00 0.08 0.00 0.00 57.88 56.33 2dmh h LEU 49 Cb 1.22 -0.08 -0.33 0.00 1.08 0.00 0.00 40.66 42.54 2dmh h LEU 49 CO 0.16 0.83 0.05 0.20 -1.08 0.00 0.00 178.44 178.61 2dmh s ASN 50 N -6.16 6.36 0.80 -0.43 0.01 -1.26 -4.02 114.94 110.23 2dmh s ASN 50 Ca -0.15 -3.68 -0.11 0.00 -0.71 0.00 0.00 52.86 48.21 2dmh s ASN 50 Cb 0.03 -1.99 0.07 0.00 0.41 0.00 0.00 41.25 39.77 2dmh s ASN 50 CO 0.74 -0.21 1.09 -2.16 -1.51 0.00 0.00 177.10 175.05 2dmh s PRO 51 N -1.32 2.07 -0.23 -0.60 0.04 -1.22 -4.86 135.00 128.89 2dmh s PRO 51 Ca 0.28 1.10 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 2dmh s PRO 51 Cb -0.08 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.66 2dmh s PRO 51 CO -0.11 -1.76 0.09 0.08 0.04 0.00 0.00 177.00 175.34 2dmh s VAL 52 N -2.91 0.12 -0.19 -0.36 1.01 -1.26 -2.46 120.40 114.35 2dmh s VAL 52 Ca 0.62 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2dmh s VAL 52 Cb -0.17 -0.89 -0.11 0.00 0.00 0.00 0.00 36.38 35.21 2dmh s VAL 52 CO 0.56 -0.44 -0.05 0.79 0.00 0.00 0.00 175.10 175.96 2dmh n TRP 53 N 5.19 0.78 -2.96 5.22 8.01 -1.09 -4.98 117.44 127.61 2dmh n TRP 53 Ca -0.07 0.34 -0.21 0.00 -1.31 0.00 0.00 57.50 56.25 2dmh n TRP 53 Cb 0.46 -0.91 0.01 0.00 -2.01 0.00 0.00 31.31 28.86 2dmh n TRP 53 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2dmh n ASN 54 N -4.48 -5.08 -4.06 -0.99 2.85 0.08 -4.97 115.26 98.60 2dmh n ASN 54 Ca -0.24 -0.21 -0.14 0.00 -0.11 0.00 0.00 54.58 53.88 2dmh n ASN 54 Cb 0.53 -4.17 0.06 0.00 1.24 0.00 0.00 39.78 37.44 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2dmh n GLU 55 N -3.65 0.59 -3.98 1.20 0.00 -1.21 -4.93 120.64 108.66 2dmh n GLU 55 Ca -0.11 -2.19 -0.17 0.00 0.00 0.00 0.00 57.16 54.69 2dmh n GLU 55 Cb 0.60 -0.24 -0.16 0.00 0.00 0.00 0.00 31.44 31.65 2dmh n GLU 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2dmh s ILE 56 N -1.71 0.23 0.23 3.84 1.01 -1.26 -2.73 121.20 120.82 2dmh s ILE 56 Ca 0.45 0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.19 2dmh s ILE 56 Cb -0.03 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2dmh s ILE 56 CO 0.29 0.14 0.14 -0.76 0.00 0.00 0.00 174.94 174.74 2dmh s LEU 57 N 0.79 3.67 -0.06 2.97 1.43 -0.61 -4.94 118.68 121.93 2dmh s LEU 57 Ca -0.08 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 2dmh s LEU 57 Cb -0.11 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.91 2dmh s LEU 57 CO -0.01 -0.00 0.15 -1.61 0.23 0.00 0.00 176.35 175.11 2dmh s GLU 58 N -3.60 0.12 0.11 1.70 2.02 -1.26 -1.59 118.70 116.20 2dmh s GLU 58 Ca 0.32 0.32 0.10 0.00 0.02 0.00 0.00 54.97 55.73 2dmh s GLU 58 Cb -0.08 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.01 2dmh s GLU 58 CO 0.23 -0.12 -0.22 -0.06 0.02 0.00 0.00 175.26 175.11 2dmh s PHE 59 N 0.83 2.44 -0.28 1.61 0.40 0.81 -4.96 117.98 118.83 2dmh s PHE 59 Ca -0.06 -0.32 -0.19 0.00 -0.60 0.00 0.00 56.93 55.76 2dmh s PHE 59 Cb -0.08 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 2dmh s PHE 59 CO -0.04 0.34 0.57 0.16 0.70 0.00 0.00 175.22 176.94 2dmh s ASP 60 N -1.98 6.46 0.01 1.36 -4.77 -1.26 -2.39 116.67 114.10 2dmh s ASP 60 Ca 0.16 0.46 0.15 0.00 -3.30 0.00 0.00 52.55 50.01 2dmh s ASP 60 Cb -0.10 -2.30 -0.18 0.00 -1.09 0.00 0.00 42.92 39.24 2dmh s ASP 60 CO 0.08 -0.38 0.75 0.18 0.70 0.00 0.00 175.17 176.49 2dmh n LEU 61 N 5.70 0.88 -3.74 2.11 4.77 -1.10 -4.96 117.00 120.65 2dmh n LEU 61 Ca -0.03 0.40 -0.26 0.00 -0.03 0.00 0.00 56.01 56.10 2dmh n LEU 61 Cb 0.49 0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2dmh n LEU 61 CO 0.43 0.26 0.14 0.54 -1.33 0.00 0.00 177.39 177.43 2dmh n ARG 62 N -2.97 -6.41 0.00 3.23 5.12 -0.87 -0.59 116.66 114.17 2dmh n ARG 62 Ca -0.13 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 2dmh n ARG 62 Cb 0.94 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.62 2dmh n ARG 62 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dmh n GLY 63 N -1.75 2.88 3.61 -0.13 0.00 -0.15 -4.97 105.19 104.69 2dmh n GLY 63 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.14 4.09 0.76 -0.61 -1.09 0.24 -4.74 121.20 117.72 2dmh s ILE 64 Ca 0.00 1.17 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 2dmh s ILE 64 Cb 0.00 -4.28 0.19 0.00 -1.58 0.00 0.00 42.46 36.79 2dmh s ILE 64 CO 0.00 -0.69 0.68 -0.81 -1.23 0.00 0.00 174.94 172.89 2dmh n PRO 65 N 7.67 -2.34 -3.95 2.79 -0.04 -1.26 -4.76 135.00 133.10 2dmh n PRO 65 Ca 0.15 -1.09 -0.34 0.00 -0.04 0.00 0.00 63.50 62.18 2dmh n PRO 65 Cb 0.48 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.86 2dmh n PRO 65 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dmh s LEU 66 N 0.00 4.25 0.22 1.53 1.43 -1.26 -5.09 118.68 119.76 2dmh s LEU 66 Ca 0.44 0.31 0.10 0.00 -1.03 0.00 0.00 54.13 53.96 2dmh s LEU 66 Cb -0.04 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2dmh s LEU 66 CO 0.34 0.28 -0.20 -1.81 0.23 0.00 0.00 176.35 175.19 2dmh s ASP 67 N -1.78 3.18 0.46 2.29 1.11 -1.26 -4.82 116.67 115.85 2dmh s ASP 67 Ca 0.25 -0.95 0.22 0.00 0.18 0.00 0.00 52.55 52.25 2dmh s ASP 67 Cb -0.12 -0.23 1.22 0.00 1.07 0.00 0.00 42.92 44.86 2dmh s ASP 67 CO 0.16 0.01 1.65 -0.26 1.18 0.00 0.00 175.17 177.90 2dmh h PHE 68 N 2.75 0.00 0.00 4.23 -1.00 -1.90 0.62 116.94 121.64 2dmh h PHE 68 Ca -0.42 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.28 2dmh h PHE 68 Cb 1.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.78 2dmh h PHE 68 CO 0.74 0.00 -1.20 0.45 -1.61 0.00 0.00 178.31 176.68 2dmh n SER 69 N -2.44 0.85 -4.71 2.17 2.88 -1.26 -4.37 113.62 106.74 2dmh n SER 69 Ca -0.01 0.35 -0.42 0.00 -1.33 0.00 0.00 58.87 57.46 2dmh n SER 69 Cb 0.28 0.31 -0.03 0.00 -0.75 0.00 0.00 64.21 64.02 2dmh n SER 69 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmh s SER 70 N -5.56 6.87 0.12 -3.46 0.01 0.22 -4.97 113.70 106.92 2dmh s SER 70 Ca -0.02 2.24 -0.06 0.00 1.31 0.00 0.00 55.95 59.43 2dmh s SER 70 Cb 0.09 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2dmh s SER 70 CO 0.80 -0.63 0.16 -0.44 0.41 0.00 0.00 173.24 173.53 2dmh s SER 71 N 1.22 0.20 0.03 2.44 0.01 -1.26 -2.21 113.70 114.12 2dmh s SER 71 Ca 0.64 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.99 2dmh s SER 71 Cb -0.35 0.34 -0.04 0.00 0.21 0.00 0.00 66.02 66.18 2dmh s SER 71 CO 0.30 -0.76 0.11 -0.22 0.41 0.00 0.00 173.24 173.07 2dmh s LEU 72 N -2.95 3.98 -0.22 2.44 2.96 0.42 -4.90 118.68 120.40 2dmh s LEU 72 Ca 0.14 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2dmh s LEU 72 Cb 0.05 -2.47 0.01 0.00 0.50 0.00 0.00 46.19 44.28 2dmh s LEU 72 CO -0.04 0.22 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.29 2dmh s GLY 73 N -2.08 1.56 -0.33 7.98 0.00 -1.22 -1.53 107.32 111.71 2dmh s GLY 73 Ca 0.27 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 2dmh s GLY 73 CO 0.19 0.43 0.06 -0.42 0.00 0.00 0.00 173.10 173.37 2dmh s ILE 74 N 1.36 3.38 -0.26 0.90 -1.09 0.29 -2.44 121.20 123.34 2dmh s ILE 74 Ca 0.03 -1.31 0.03 0.00 -2.23 0.00 0.00 60.65 57.16 2dmh s ILE 74 Cb -0.15 -2.95 0.06 0.00 -1.58 0.00 0.00 42.46 37.84 2dmh s ILE 74 CO -0.06 -0.18 -0.10 -0.63 -1.23 0.00 0.00 174.94 172.73 2dmh s ILE 75 N 1.31 2.20 -0.26 2.92 1.01 -1.05 0.19 121.20 127.53 2dmh s ILE 75 Ca -0.03 -1.64 -0.11 0.00 0.00 0.00 0.00 60.65 58.87 2dmh s ILE 75 Cb -0.20 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 2dmh s ILE 75 CO 0.01 -0.04 0.17 -0.69 0.00 0.00 0.00 174.94 174.39 2dmh s VAL 76 N 1.10 5.31 0.35 2.92 1.01 0.26 -2.82 120.40 128.54 2dmh s VAL 76 Ca -0.09 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.12 2dmh s VAL 76 Cb -0.20 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2dmh s VAL 76 CO -0.05 0.30 0.22 -0.54 0.00 0.00 0.00 175.10 175.03 2dmh s LYS 77 N 1.41 1.80 -0.58 2.72 1.02 -1.22 -1.78 119.74 123.11 2dmh s LYS 77 Ca 0.07 -2.06 -0.22 0.00 0.02 0.00 0.00 55.97 53.78 2dmh s LYS 77 Cb -0.15 0.01 0.06 0.00 -0.52 0.00 0.00 37.83 37.23 2dmh s LYS 77 CO 0.08 -0.59 0.85 0.34 -0.92 0.00 0.00 175.35 175.11 2dmh s ASP 78 N -3.45 6.24 0.22 2.83 2.15 -1.26 -2.74 116.67 120.67 2dmh s ASP 78 Ca 0.35 -0.79 -0.18 0.00 0.43 0.00 0.00 52.55 52.36 2dmh s ASP 78 Cb 0.02 -2.38 0.21 0.00 -0.30 0.00 0.00 42.92 40.47 2dmh s ASP 78 CO 0.23 -1.20 1.51 0.33 -0.17 0.00 0.00 175.17 175.86 2dmh n PHE 79 N 7.12 -0.00 -0.30 -5.34 -0.00 -0.18 0.30 117.46 119.06 2dmh n PHE 79 Ca -0.03 1.20 0.12 0.00 -0.00 0.00 0.00 57.45 58.74 2dmh n PHE 79 Cb 0.46 -0.84 0.24 0.00 -0.00 0.00 0.00 39.48 39.34 2dmh n PHE 79 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2dmh n GLU 80 N -5.42 -0.07 -3.43 -4.13 -0.58 -1.26 -3.87 120.64 101.88 2dmh n GLU 80 Ca 0.09 1.30 -0.39 0.00 -0.42 0.00 0.00 57.16 57.75 2dmh n GLU 80 Cb 0.38 -2.05 -0.09 0.00 -0.57 0.00 0.00 31.44 29.11 2dmh n GLU 80 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2dmh s THR 81 N -5.85 5.20 -0.12 2.62 -4.23 0.15 -5.07 115.64 108.35 2dmh s THR 81 Ca -0.11 0.53 0.03 0.00 -1.18 0.00 0.00 61.69 60.95 2dmh s THR 81 Cb 0.25 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.43 2dmh s THR 81 CO 0.67 0.19 -0.22 -0.63 -0.54 0.00 0.00 174.62 174.10 2dmh s ILE 82 N 1.85 1.96 0.00 2.99 -1.09 -1.25 -4.58 121.20 121.07 2dmh s ILE 82 Ca 0.14 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 2dmh s ILE 82 Cb -0.15 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 2dmh s ILE 82 CO 0.09 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 2dmh n GLY 83 N 3.83 1.24 3.26 6.18 0.00 -1.26 -4.95 105.19 113.50 2dmh n GLY 83 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2dmh n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dmh n GLN 84 N 0.00 -0.40 -2.11 1.61 1.13 -1.26 -4.74 117.38 111.61 2dmh n GLN 84 Ca 0.00 -0.09 -0.30 0.00 -1.94 0.00 0.00 57.00 54.67 2dmh n GLN 84 Cb 0.00 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 28.74 2dmh n GLN 84 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2dmh s ASN 85 N -1.67 5.31 -0.30 1.08 0.01 -1.26 -4.85 114.94 113.26 2dmh s ASN 85 Ca 0.51 -0.59 -0.12 0.00 -0.71 0.00 0.00 52.86 51.95 2dmh s ASN 85 Cb -0.17 -2.56 0.14 0.00 0.41 0.00 0.00 41.25 39.07 2dmh s ASN 85 CO 0.71 -2.55 0.75 -0.75 -1.51 0.00 0.00 177.10 173.74 2dmh s LYS 86 N 6.79 0.51 -0.08 -0.60 2.36 -1.26 -5.15 119.74 122.31 2dmh s LYS 86 Ca 0.67 1.24 -0.03 0.00 -2.55 0.00 0.00 55.97 55.30 2dmh s LYS 86 Cb -0.07 0.71 0.05 0.00 -1.05 0.00 0.00 37.83 37.47 2dmh s LYS 86 CO 0.02 -0.17 0.16 -1.17 1.55 0.00 0.00 175.35 175.74 2dmh s LEU 87 N 2.68 0.11 -0.08 5.43 0.20 -1.26 -4.69 118.68 121.08 2dmh s LEU 87 Ca -0.05 0.34 -0.18 0.00 0.69 0.00 0.00 54.13 54.93 2dmh s LEU 87 Cb -0.10 0.32 -0.14 0.00 -0.43 0.00 0.00 46.19 45.85 2dmh s LEU 87 CO -0.19 -0.22 0.67 0.40 -0.29 0.00 0.00 176.35 176.72 2dmh h ILE 88 N 6.28 0.79 -1.02 6.68 2.04 -1.84 -3.45 117.51 126.99 2dmh h ILE 88 Ca -0.21 -1.28 0.27 0.00 1.00 0.00 0.00 64.86 64.63 2dmh h ILE 88 Cb 1.12 1.40 -0.27 0.00 -0.74 0.00 0.00 36.82 38.33 2dmh h ILE 88 CO 0.21 0.23 0.99 -0.83 0.00 0.00 0.00 178.15 178.75 2dmh s GLY 89 N -3.47 0.08 0.32 5.37 0.00 -0.74 -4.62 107.32 104.26 2dmh s GLY 89 Ca -0.11 2.78 0.04 0.00 0.00 0.00 0.00 44.72 47.43 2dmh s GLY 89 CO 0.40 1.06 0.05 -0.51 0.00 0.00 0.00 173.10 174.10 2dmh s THR 90 N -1.14 1.20 -0.29 0.90 -4.23 0.95 -0.58 115.64 112.46 2dmh s THR 90 Ca 0.10 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.42 2dmh s THR 90 Cb -0.01 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.21 2dmh s THR 90 CO -0.08 -0.04 0.93 0.00 -0.54 0.00 0.00 174.62 174.89 2dmh s ALA 91 N -3.30 -2.15 -0.20 3.99 0.00 0.13 -1.17 121.76 119.06 2dmh s ALA 91 Ca 0.36 2.19 -0.05 0.00 0.00 0.00 0.00 51.96 54.46 2dmh s ALA 91 Cb 0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 2dmh s ALA 91 CO 0.15 -0.33 -0.01 0.99 0.00 0.00 0.00 175.76 176.55 2dmh s THR 92 N 1.20 3.81 -0.29 0.00 2.01 -1.26 -0.55 115.64 120.57 2dmh s THR 92 Ca -0.07 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 2dmh s THR 92 Cb -0.04 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2dmh s THR 92 CO -0.14 0.43 0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 2dmh s VAL 93 N 1.04 4.80 -0.22 3.82 1.01 -0.58 -4.95 120.40 125.31 2dmh s VAL 93 Ca 0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 2dmh s VAL 93 Cb -0.14 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 2dmh s VAL 93 CO 0.01 0.20 1.18 0.00 0.00 0.00 0.00 175.10 176.49 2dmh s ALA 94 N 1.67 3.61 -1.80 5.51 0.00 -1.26 -0.44 121.76 129.05 2dmh s ALA 94 Ca 0.06 0.26 0.30 0.00 0.00 0.00 0.00 51.96 52.58 2dmh s ALA 94 Cb -0.16 -3.63 1.70 0.00 0.00 0.00 0.00 23.12 21.03 2dmh s ALA 94 CO 0.07 -1.26 2.11 1.28 0.00 0.00 0.00 175.76 177.96 2dmh n LEU 95 N 6.71 0.00 0.30 0.00 4.77 -0.94 -3.60 117.00 124.23 2dmh n LEU 95 Ca 0.13 0.10 0.18 0.00 -0.03 0.00 0.00 56.01 56.40 2dmh n LEU 95 Cb 0.46 -0.10 0.96 0.00 -2.33 0.00 0.00 43.42 42.40 2dmh n LEU 95 CO 0.56 -0.00 1.15 0.07 -1.33 0.00 0.00 177.39 177.84 2dmh h LYS 96 N 0.00 0.00 0.07 3.23 2.10 -1.76 0.14 116.57 120.35 2dmh h LYS 96 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 2dmh h LYS 96 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.41 2dmh h LYS 96 CO 0.00 0.00 -1.23 0.22 -2.00 0.00 0.00 179.45 176.44 2dmh h ASP 97 N 0.00 0.23 0.59 7.07 1.82 -1.94 -3.32 116.42 120.87 2dmh h ASP 97 Ca 0.03 -0.26 -0.28 0.00 -0.39 0.00 0.00 57.03 56.12 2dmh h ASP 97 Cb 0.40 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.34 2dmh h ASP 97 CO -0.00 1.21 -1.29 -0.07 -1.61 0.00 0.00 179.24 177.48 2dmh h LEU 98 N 0.04 0.45 -9.37 2.28 3.38 -1.07 -3.46 115.31 107.56 2dmh h LEU 98 Ca -0.11 -0.49 -0.64 0.00 0.09 0.00 0.00 57.88 56.72 2dmh h LEU 98 Cb 1.90 -0.15 0.07 0.00 0.09 0.00 0.00 40.66 42.58 2dmh h LEU 98 CO 0.16 1.39 0.39 0.35 0.09 0.00 0.00 178.44 180.82 2dmh n THR 99 N -3.54 0.65 0.00 0.22 -2.24 -0.09 -4.67 114.28 104.60 2dmh n THR 99 Ca -0.10 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2dmh n THR 99 Cb 1.03 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 2.23 0.00 3.53 3.38 0.00 -1.26 -4.96 105.19 108.11 2dmh n GLY 100 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2dmh n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dmh n ASP 101 N 0.00 -1.32 -3.48 1.61 -0.08 -1.26 -4.81 116.55 107.21 2dmh n ASP 101 Ca 0.00 -0.68 -0.11 0.00 -1.51 0.00 0.00 54.79 52.49 2dmh n ASP 101 Cb 0.00 -1.17 -0.03 0.00 2.34 0.00 0.00 41.12 42.26 2dmh n ASP 101 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmh s GLN 102 N -5.56 1.01 0.03 -0.67 -2.07 -1.26 -4.96 119.66 106.18 2dmh s GLN 102 Ca 0.52 -0.26 -0.30 0.00 -1.82 0.00 0.00 55.36 53.49 2dmh s GLN 102 Cb -0.30 0.47 -0.06 0.00 -1.09 0.00 0.00 33.01 32.02 2dmh s GLN 102 CO 0.64 -0.42 1.43 0.45 -1.32 0.00 0.00 175.29 176.07 2dmh s SER 103 N -2.31 6.81 -0.19 12.60 0.15 -1.26 -4.61 113.70 124.88 2dmh s SER 103 Ca 0.01 2.20 -0.06 0.00 0.70 0.00 0.00 55.95 58.79 2dmh s SER 103 Cb -0.01 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.83 2dmh s SER 103 CO -0.07 -0.73 0.40 -0.60 1.20 0.00 0.00 173.24 173.43 2dmh s ARG 104 N 2.24 0.30 -0.30 5.44 3.52 -0.94 -4.99 118.95 124.22 2dmh s ARG 104 Ca 0.65 0.95 0.02 0.00 -0.13 0.00 0.00 55.73 57.23 2dmh s ARG 104 Cb -0.33 0.21 0.07 0.00 -1.56 0.00 0.00 34.95 33.34 2dmh s ARG 104 CO 0.28 -0.29 -0.02 -1.12 -0.81 0.00 0.00 175.30 173.33 2dmh s SER 105 N 2.58 4.68 -0.24 -2.12 0.01 -1.26 -1.60 113.70 115.75 2dmh s SER 105 Ca 0.00 -1.66 -0.08 0.00 1.31 0.00 0.00 55.95 55.52 2dmh s SER 105 Cb -0.12 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 2dmh s SER 105 CO -0.13 -0.29 0.08 -0.76 0.41 0.00 0.00 173.24 172.56 2dmh s LEU 106 N 1.06 3.58 -0.51 2.44 1.43 -1.09 -4.96 118.68 120.64 2dmh s LEU 106 Ca -0.01 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.69 2dmh s LEU 106 Cb -0.20 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 2dmh s LEU 106 CO -0.05 0.01 1.79 -2.16 0.23 0.00 0.00 176.35 176.17 2dmh s PRO 107 N 1.38 2.94 -0.62 1.29 0.04 -1.26 -3.73 135.00 135.04 2dmh s PRO 107 Ca 0.05 0.89 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 2dmh s PRO 107 Cb -0.15 -4.29 0.06 0.00 0.04 0.00 0.00 34.50 30.17 2dmh s PRO 107 CO 0.04 -2.34 0.93 0.71 0.04 0.00 0.00 177.00 176.38 2dmh s TYR 108 N 8.02 2.73 0.32 0.56 2.02 0.27 -4.96 117.35 126.31 2dmh s TYR 108 Ca 0.70 -0.45 0.09 0.00 -0.37 0.00 0.00 57.07 57.03 2dmh s TYR 108 Cb -0.16 -4.19 -0.06 0.00 -0.40 0.00 0.00 41.96 37.15 2dmh s TYR 108 CO 0.26 -1.54 -0.09 0.15 -1.57 0.00 0.00 175.55 172.76 2dmh s LYS 109 N 3.90 1.71 -0.96 -0.62 1.02 -1.26 0.29 119.74 123.82 2dmh s LYS 109 Ca 0.23 -1.87 -0.02 0.00 0.02 0.00 0.00 55.97 54.33 2dmh s LYS 109 Cb -0.16 -1.52 0.00 0.00 -0.52 0.00 0.00 37.83 35.63 2dmh s LYS 109 CO 0.12 0.12 0.81 1.28 -0.92 0.00 0.00 175.35 176.76 2dmh n LEU 110 N -0.71 -3.43 -4.65 3.17 4.77 -1.26 -4.98 117.00 109.91 2dmh n LEU 110 Ca -0.05 -0.46 -0.40 0.00 -0.03 0.00 0.00 56.01 55.07 2dmh n LEU 110 Cb 0.63 -2.51 -0.06 0.00 -2.33 0.00 0.00 43.42 39.15 2dmh n LEU 110 CO 0.42 0.36 0.32 -0.63 -1.33 0.00 0.00 177.39 176.53 2dmh s ILE 111 N -3.27 5.05 -0.38 -0.08 1.01 -1.25 -4.95 121.20 117.33 2dmh s ILE 111 Ca 0.13 1.08 -0.28 0.00 0.00 0.00 0.00 60.65 61.58 2dmh s ILE 111 Cb -0.06 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.53 2dmh s ILE 111 CO 0.56 0.12 1.05 -0.94 0.00 0.00 0.00 174.94 175.74 2dmh s SER 112 N 1.24 6.77 0.28 3.58 1.04 -1.26 -3.40 113.70 121.94 2dmh s SER 112 Ca 0.26 0.74 -0.23 0.00 0.48 0.00 0.00 55.95 57.20 2dmh s SER 112 Cb -0.16 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.35 2dmh s SER 112 CO 0.10 -0.98 0.85 -0.76 0.98 0.00 0.00 173.24 173.42 2dmh s LEU 113 N 3.84 4.34 0.10 2.42 1.43 -0.73 -4.83 118.68 125.25 2dmh s LEU 113 Ca 0.44 1.66 0.08 0.00 -1.03 0.00 0.00 54.13 55.28 2dmh s LEU 113 Cb -0.11 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 2dmh s LEU 113 CO 0.21 -0.02 -0.20 -0.76 0.23 0.00 0.00 176.35 175.81 2dmh s LEU 114 N -2.01 2.31 1.06 1.79 1.43 -0.32 -1.76 118.68 121.18 2dmh s LEU 114 Ca 0.47 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 2dmh s LEU 114 Cb -0.18 -0.84 0.24 0.00 0.03 0.00 0.00 46.19 45.45 2dmh s LEU 114 CO 0.23 0.03 1.28 0.54 0.23 0.00 0.00 176.35 178.66 2dmh s ASN 115 N -1.96 2.23 0.31 2.29 2.20 -0.99 -0.04 114.94 118.99 2dmh s ASN 115 Ca 0.06 0.29 0.15 0.00 -0.94 0.00 0.00 52.86 52.42 2dmh s ASN 115 Cb -0.10 -0.31 0.84 0.00 -2.00 0.00 0.00 41.25 39.68 2dmh s ASN 115 CO 0.04 -3.28 1.40 -1.84 -2.94 0.00 0.00 177.10 170.48 2dmh n GLU 116 N -4.14 0.10 0.05 3.55 0.28 -1.26 0.70 120.64 119.92 2dmh n GLU 116 Ca 0.16 0.58 0.06 0.00 -0.16 0.00 0.00 57.16 57.81 2dmh n GLU 116 Cb 0.59 -2.03 -0.07 0.00 1.43 0.00 0.00 31.44 31.36 2dmh n GLU 116 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dmh n LYS 117 N -2.09 0.63 -0.17 3.44 4.76 -1.26 -4.97 118.16 118.50 2dmh n LYS 117 Ca -0.01 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2dmh n LYS 117 Cb 0.22 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2dmh n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dmh n GLY 118 N 1.30 0.91 3.84 0.72 0.00 0.22 -5.08 105.19 107.10 2dmh n GLY 118 Ca -0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.76 4.04 -0.28 1.61 -1.52 -1.26 -4.75 119.66 116.74 2dmh s GLN 119 Ca 0.00 0.62 -0.28 0.00 -1.95 0.00 0.00 55.36 53.75 2dmh s GLN 119 Cb 0.00 -2.73 -0.05 0.00 -0.22 0.00 0.00 33.01 30.01 2dmh s GLN 119 CO 0.00 0.34 2.19 0.16 -0.25 0.00 0.00 175.29 177.73 2dmh s ASP 120 N -1.96 5.35 0.16 5.90 1.47 -1.26 -2.34 116.67 123.99 2dmh s ASP 120 Ca 0.45 1.68 -0.03 0.00 1.18 0.00 0.00 52.55 55.84 2dmh s ASP 120 Cb -0.14 -2.51 -0.00 0.00 -0.34 0.00 0.00 42.92 39.93 2dmh s ASP 120 CO 0.19 -2.08 1.39 0.71 0.68 0.00 0.00 175.17 176.06 2dmh h THR 121 N 7.19 1.38 0.00 2.11 1.35 -1.69 -3.48 112.91 119.77 2dmh h THR 121 Ca -0.38 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 2dmh h THR 121 Cb 1.23 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 2dmh h THR 121 CO 1.00 0.67 0.00 0.61 -0.25 0.00 0.00 175.52 177.55 2dmh n GLY 122 N 0.70 1.23 3.44 5.82 0.00 -1.26 -4.88 105.19 110.24 2dmh n GLY 122 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 2.67 -0.03 4.61 0.00 -1.15 -4.56 121.76 121.31 2dmh s ALA 123 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.10 2dmh s ALA 123 Cb 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 2dmh s ALA 123 CO 0.00 0.43 -0.25 0.95 0.00 0.00 0.00 175.76 176.89 2dmh s THR 124 N -0.30 2.01 -0.02 0.00 -4.23 -0.05 -1.77 115.64 111.28 2dmh s THR 124 Ca 0.02 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2dmh s THR 124 Cb -0.13 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.06 2dmh s THR 124 CO 0.03 0.57 -0.01 -0.51 -0.54 0.00 0.00 174.62 174.15 2dmh s ILE 125 N -0.51 0.19 0.15 2.99 2.07 -1.22 -0.23 121.20 124.64 2dmh s ILE 125 Ca 0.07 0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.16 2dmh s ILE 125 Cb -0.11 -0.25 -0.07 0.00 0.13 0.00 0.00 42.46 42.16 2dmh s ILE 125 CO -0.00 0.12 0.63 -1.81 -1.91 0.00 0.00 174.94 171.97 2dmh s ASP 126 N 0.72 7.02 -0.13 4.50 1.01 -0.69 -3.79 116.67 125.31 2dmh s ASP 126 Ca -0.07 1.30 -0.15 0.00 0.71 0.00 0.00 52.55 54.34 2dmh s ASP 126 Cb -0.10 -2.37 0.04 0.00 1.01 0.00 0.00 42.92 41.49 2dmh s ASP 126 CO -0.01 0.14 0.40 -0.76 0.21 0.00 0.00 175.17 175.15 2dmh s LEU 127 N -1.64 0.48 -0.32 1.23 1.43 0.15 -3.25 118.68 116.76 2dmh s LEU 127 Ca 0.37 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 54.21 2dmh s LEU 127 Cb -0.18 1.40 0.09 0.00 0.03 0.00 0.00 46.19 47.54 2dmh s LEU 127 CO 0.20 -0.19 0.05 -0.69 0.23 0.00 0.00 176.35 175.95 2dmh s VAL 128 N -0.02 1.81 -0.13 -1.59 1.01 0.23 0.94 120.40 122.65 2dmh s VAL 128 Ca -0.02 -1.94 -0.12 0.00 0.00 0.00 0.00 61.98 59.90 2dmh s VAL 128 Cb -0.03 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2dmh s VAL 128 CO 0.01 -0.55 0.25 -0.63 0.00 0.00 0.00 175.10 174.19 2dmh s ILE 129 N 1.16 5.32 -0.13 2.22 1.01 -1.24 -1.66 121.20 127.88 2dmh s ILE 129 Ca 0.08 0.47 0.02 0.00 0.00 0.00 0.00 60.65 61.21 2dmh s ILE 129 Cb -0.19 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.73 2dmh s ILE 129 CO -0.12 0.48 -0.17 -0.83 0.00 0.00 0.00 174.94 174.29 2dmh s GLY 130 N -0.11 1.14 0.04 6.18 0.00 -0.63 -2.68 107.32 111.25 2dmh s GLY 130 Ca 0.16 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 2dmh s GLY 130 CO 0.04 0.23 0.39 -0.47 0.00 0.00 0.00 173.10 173.29 2dmh s TYR 131 N 1.05 3.65 -0.23 1.90 5.04 -0.63 -2.79 117.35 125.34 2dmh s TYR 131 Ca -0.04 0.87 -0.03 0.00 -2.44 0.00 0.00 57.07 55.42 2dmh s TYR 131 Cb -0.15 -2.20 0.10 0.00 0.35 0.00 0.00 41.96 40.06 2dmh s TYR 131 CO -0.04 0.58 0.23 0.34 -1.34 0.00 0.00 175.55 175.33 2dmh s ASP 132 N -1.43 1.58 0.27 4.32 -1.08 -1.25 -2.21 116.67 116.87 2dmh s ASP 132 Ca 0.28 -0.41 -0.29 0.00 -0.52 0.00 0.00 52.55 51.60 2dmh s ASP 132 Cb -0.15 0.37 -0.10 0.00 -1.46 0.00 0.00 42.92 41.58 2dmh s ASP 132 CO 0.15 -0.35 1.26 -2.16 0.52 0.00 0.00 175.17 174.59 2dmh s PRO 133 N 2.32 4.44 0.54 4.34 0.04 -1.26 -3.21 135.00 142.21 2dmh s PRO 133 Ca 0.08 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 2dmh s PRO 133 Cb -0.15 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.18 2dmh s PRO 133 CO -0.19 -0.11 1.13 -1.25 0.04 0.00 0.00 177.00 176.62 2dmh s PRO 134 N -1.08 3.37 -0.10 0.56 0.04 -1.26 -4.64 135.00 131.89 2dmh s PRO 134 Ca 0.51 1.62 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 2dmh s PRO 134 Cb -0.37 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.18 2dmh s PRO 134 CO 0.45 -0.84 -0.07 0.45 0.04 0.00 0.00 177.00 177.03 2dmh s SER 135 N -1.76 2.03 0.00 6.66 0.15 -1.14 -4.89 113.70 114.74 2dmh s SER 135 Ca 0.73 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2dmh s SER 135 Cb -0.24 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2dmh s SER 135 CO 0.27 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2dmh n GLY 136 N 4.84 2.49 3.65 9.45 0.00 -1.26 -4.16 105.19 120.19 2dmh n GLY 136 Ca -0.13 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2dmh n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmh s PRO 137 N -3.34 4.09 0.19 1.61 0.04 -1.26 -4.91 135.00 131.41 2dmh s PRO 137 Ca 0.00 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 62.83 2dmh s PRO 137 Cb 0.00 -3.94 0.10 0.00 0.04 0.00 0.00 34.50 30.70 2dmh s PRO 137 CO 0.00 -0.93 1.85 0.66 0.04 0.00 0.00 177.00 178.62 2dmh h SER 138 N 9.51 0.68 -2.82 6.66 4.64 -1.95 -3.45 113.55 126.82 2dmh h SER 138 Ca -0.35 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.06 2dmh h SER 138 Cb 1.15 -0.17 -0.28 0.00 -0.31 0.00 0.00 62.40 62.80 2dmh h SER 138 CO 0.97 0.49 0.52 -0.55 -0.87 0.00 0.00 176.83 177.39 2dmh s SER 139 N -5.74 -0.38 0.00 4.97 0.15 -1.26 -5.16 113.70 106.28 2dmh s SER 139 Ca -0.13 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2dmh s SER 139 Cb 0.13 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2dmh s SER 139 CO 0.76 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.69