#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 0.35 0.55 1.61 0.15 -1.26 -5.15 113.70 109.95 2dmh s SER 2 Ca 0.00 -0.26 -0.16 0.00 0.70 0.00 0.00 55.95 56.23 2dmh s SER 2 Cb 0.00 0.02 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 2dmh s SER 2 CO 0.00 -0.11 1.02 -0.55 1.20 0.00 0.00 173.24 174.80 2dmh s SER 3 N -0.73 6.25 0.00 5.45 0.15 -1.26 -5.05 113.70 118.52 2dmh s SER 3 Ca -0.06 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.26 2dmh s SER 3 Cb -0.05 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2dmh s SER 3 CO -0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2dmh n GLY 4 N -1.36 4.31 3.56 9.45 0.00 -1.26 -5.06 105.19 114.82 2dmh n GLY 4 Ca 0.07 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 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 1.57 5.00 -0.53 1.61 0.01 -1.26 -4.78 113.70 115.32 2dmh s SER 5 Ca 0.00 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2dmh s SER 5 Cb 0.00 -2.55 0.43 0.00 0.21 0.00 0.00 66.02 64.11 2dmh s SER 5 CO 0.00 -2.84 1.59 -1.54 0.41 0.00 0.00 173.24 170.86 2dmh n SER 6 N 14.43 6.23 -1.99 2.44 3.41 -1.26 -1.35 113.62 135.52 2dmh n SER 6 Ca 0.39 -3.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.23 2dmh n SER 6 Cb 0.47 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2dmh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmh n GLY 7 N -0.71 -5.26 2.88 5.00 0.00 -1.26 -0.83 105.19 105.00 2dmh n GLY 7 Ca 0.51 -0.31 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.29 0.06 -0.39 1.61 -2.45 -1.25 -1.79 119.30 113.81 2dmh s MET 8 Ca 0.00 0.40 -0.11 0.00 -1.25 0.00 0.00 55.69 54.73 2dmh s MET 8 Cb 0.00 -0.22 0.04 0.00 1.25 0.00 0.00 34.83 35.90 2dmh s MET 8 CO 0.00 -0.21 0.24 -1.17 1.05 0.00 0.00 175.02 174.93 2dmh s LEU 9 N 1.47 4.91 -0.09 4.11 2.96 -0.38 -3.78 118.68 127.88 2dmh s LEU 9 Ca -0.06 -1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 52.59 2dmh s LEU 9 Cb -0.12 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 2dmh s LEU 9 CO -0.06 -0.44 0.37 -0.13 -1.32 0.00 0.00 176.35 174.77 2dmh s ARG 10 N 1.55 4.11 -0.33 1.98 0.52 -1.10 -1.21 118.95 124.47 2dmh s ARG 10 Ca 0.02 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.54 2dmh s ARG 10 Cb -0.20 -3.34 0.10 0.00 0.52 0.00 0.00 34.95 32.02 2dmh s ARG 10 CO 0.06 0.41 0.08 0.08 0.02 0.00 0.00 175.30 175.95 2dmh s VAL 11 N -0.12 1.52 -0.07 3.52 1.01 -0.29 -1.60 120.40 124.36 2dmh s VAL 11 Ca 0.21 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.14 2dmh s VAL 11 Cb -0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2dmh s VAL 11 CO 0.09 -0.64 0.60 -0.63 0.00 0.00 0.00 175.10 174.52 2dmh s ILE 12 N 1.28 5.08 -0.64 2.22 1.01 -0.67 -1.83 121.20 127.65 2dmh s ILE 12 Ca 0.10 1.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.96 2dmh s ILE 12 Cb -0.18 -3.94 0.16 0.00 0.01 0.00 0.00 42.46 38.51 2dmh s ILE 12 CO -0.17 0.31 0.46 -0.69 0.00 0.00 0.00 174.94 174.84 2dmh s VAL 13 N 0.57 3.82 0.00 2.92 1.01 -1.03 -0.51 120.40 127.18 2dmh s VAL 13 Ca 0.32 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.37 2dmh s VAL 13 Cb -0.17 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2dmh s VAL 13 CO 0.15 -0.89 0.85 -0.62 0.00 0.00 0.00 175.10 174.59 2dmh n GLU 14 N 3.51 0.00 -3.88 2.72 4.71 -1.16 -1.97 120.64 124.58 2dmh n GLU 14 Ca 0.08 0.55 0.01 0.00 -0.01 0.00 0.00 57.16 57.79 2dmh n GLU 14 Cb 0.38 -1.35 0.01 0.00 -1.01 0.00 0.00 31.44 29.48 2dmh n GLU 14 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2dmh s SER 15 N -2.41 -0.01 0.22 1.62 1.04 -1.25 -0.63 113.70 112.28 2dmh s SER 15 Ca 0.00 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.19 2dmh s SER 15 Cb 0.00 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.28 2dmh s SER 15 CO 0.00 -0.41 0.01 0.00 0.98 0.00 0.00 173.24 173.82 2dmh s ALA 16 N -2.17 1.69 0.23 5.32 0.00 -0.94 -1.13 121.76 124.77 2dmh s ALA 16 Ca 0.24 -1.74 -0.21 0.00 0.00 0.00 0.00 51.96 50.26 2dmh s ALA 16 Cb 0.00 0.58 0.03 0.00 0.00 0.00 0.00 23.12 23.74 2dmh s ALA 16 CO -0.00 -0.30 0.64 -1.12 0.00 0.00 0.00 175.76 174.98 2dmh s SER 17 N -3.27 -0.34 -0.86 0.00 0.01 0.22 -3.41 113.70 106.05 2dmh s SER 17 Ca 0.29 -0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 2dmh s SER 17 Cb 0.06 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2dmh s SER 17 CO 0.08 -1.18 0.74 0.59 0.41 0.00 0.00 173.24 173.88 2dmh n ASN 18 N -0.41 -4.07 -4.78 2.44 3.02 -1.26 -0.97 115.26 109.22 2dmh n ASN 18 Ca -0.09 -0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 53.71 2dmh n ASN 18 Cb 0.61 -3.49 -0.06 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.22 4.67 -0.52 2.41 1.01 -1.26 -2.72 121.20 121.57 2dmh s ILE 19 Ca 0.28 1.42 -0.27 0.00 0.00 0.00 0.00 60.65 62.08 2dmh s ILE 19 Cb -0.12 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 2dmh s ILE 19 CO 0.48 0.49 1.80 -2.16 0.00 0.00 0.00 174.94 175.55 2dmh s PRO 20 N -0.77 2.89 1.25 2.79 0.04 -1.26 -4.94 135.00 134.99 2dmh s PRO 20 Ca 0.33 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 2dmh s PRO 20 Cb -0.20 -4.31 0.27 0.00 0.04 0.00 0.00 34.50 30.30 2dmh s PRO 20 CO 0.21 -2.41 0.66 0.36 0.04 0.00 0.00 177.00 175.87 2dmh n LYS 21 N 8.90 -3.12 -4.29 4.56 2.85 -1.26 -4.91 118.16 120.88 2dmh n LYS 21 Ca 0.21 -0.91 -0.24 0.00 -1.05 0.00 0.00 58.31 56.32 2dmh n LYS 21 Cb 0.50 -1.88 -0.08 0.00 -0.65 0.00 0.00 35.03 32.92 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 -2.22 2.75 0.27 0.58 -4.23 -0.39 -4.99 115.64 107.41 2dmh s THR 22 Ca 0.61 -1.92 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2dmh s THR 22 Cb -0.16 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.13 2dmh s THR 22 CO 0.58 -0.21 1.67 0.07 -0.54 0.00 0.00 174.62 176.19 2dmh h LYS 23 N 1.77 0.26 0.42 3.99 2.10 -2.03 -2.58 116.57 120.50 2dmh h LYS 23 Ca -0.43 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 2dmh h LYS 23 Cb 1.25 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2dmh h LYS 23 CO 0.66 0.18 -0.20 0.74 -2.00 0.00 0.00 179.45 178.82 2dmh h PHE 24 N 0.27 -0.52 0.00 0.07 0.04 -2.04 -3.50 116.94 111.26 2dmh h PHE 24 Ca 0.50 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.26 2dmh h PHE 24 Cb 0.94 0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.27 2dmh h PHE 24 CO -0.24 -0.32 0.00 0.41 -0.60 0.00 0.00 178.31 177.55 2dmh n GLY 25 N -0.10 1.38 3.61 -1.45 0.00 -0.97 -5.11 105.19 102.55 2dmh n GLY 25 Ca -0.07 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 3.87 3.75 1.23 1.61 1.02 -1.26 -1.27 119.74 128.69 2dmh s LYS 26 Ca 0.00 0.94 -0.20 0.00 0.02 0.00 0.00 55.97 56.73 2dmh s LYS 26 Cb 0.00 -3.93 0.30 0.00 -0.52 0.00 0.00 37.83 33.68 2dmh s LYS 26 CO 0.00 -1.34 1.11 -1.25 -0.92 0.00 0.00 175.35 172.95 2dmh s PRO 27 N 4.50 -1.46 -0.67 -1.68 0.04 -1.26 -3.94 135.00 130.53 2dmh s PRO 27 Ca 0.55 -0.15 -0.09 0.00 0.04 0.00 0.00 61.00 61.35 2dmh s PRO 27 Cb -0.13 -1.58 0.17 0.00 0.04 0.00 0.00 34.50 33.01 2dmh s PRO 27 CO 0.28 -3.85 0.55 -0.51 0.04 0.00 0.00 177.00 173.52 2dmh s ASP 28 N -3.96 6.00 0.68 6.66 1.01 -1.26 -2.58 116.67 123.21 2dmh s ASP 28 Ca 0.72 -2.53 -0.14 0.00 0.71 0.00 0.00 52.55 51.31 2dmh s ASP 28 Cb -0.08 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.81 2dmh s ASP 28 CO 0.56 -0.55 1.11 -2.16 0.21 0.00 0.00 175.17 174.34 2dmh s PRO 29 N 0.43 2.70 -0.27 8.23 0.04 -1.25 -2.47 135.00 142.41 2dmh s PRO 29 Ca 0.14 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.31 2dmh s PRO 29 Cb -0.18 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.50 2dmh s PRO 29 CO -0.05 -1.32 0.73 -1.50 0.04 0.00 0.00 177.00 174.90 2dmh s ILE 30 N -2.45 0.00 -0.03 0.56 2.07 -0.99 -2.62 121.20 117.74 2dmh s ILE 30 Ca 0.66 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.70 2dmh s ILE 30 Cb -0.20 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.34 2dmh s ILE 30 CO 0.44 0.00 0.57 -0.69 -1.91 0.00 0.00 174.94 173.35 2dmh s VAL 31 N 0.82 4.98 -0.25 4.00 1.01 -1.26 -3.25 120.40 126.45 2dmh s VAL 31 Ca -0.03 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 2dmh s VAL 31 Cb -0.05 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.50 2dmh s VAL 31 CO -0.07 0.40 0.02 -0.44 0.00 0.00 0.00 175.10 175.01 2dmh s SER 32 N -0.02 3.63 -0.08 3.32 0.01 -1.06 -1.73 113.70 117.77 2dmh s SER 32 Ca 0.30 -1.23 -0.10 0.00 1.31 0.00 0.00 55.95 56.23 2dmh s SER 32 Cb -0.17 -0.92 -0.05 0.00 0.21 0.00 0.00 66.02 65.09 2dmh s SER 32 CO 0.16 -0.32 0.23 -0.69 0.41 0.00 0.00 173.24 173.03 2dmh s VAL 33 N 1.59 5.34 -0.10 3.43 1.01 0.18 -2.60 120.40 129.25 2dmh s VAL 33 Ca 0.01 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2dmh s VAL 33 Cb -0.18 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2dmh s VAL 33 CO -0.12 0.60 -0.03 -0.63 0.00 0.00 0.00 175.10 174.93 2dmh s ILE 34 N -1.01 0.64 -0.23 2.22 1.09 -1.20 -0.94 121.20 121.76 2dmh s ILE 34 Ca 0.18 -0.08 -0.12 0.00 -1.10 0.00 0.00 60.65 59.53 2dmh s ILE 34 Cb -0.14 -0.76 0.08 0.00 -1.06 0.00 0.00 42.46 40.58 2dmh s ILE 34 CO 0.07 0.27 0.55 0.12 -0.10 0.00 0.00 174.94 175.85 2dmh s PHE 35 N 1.86 -0.88 -1.02 3.97 5.36 -1.10 -3.69 117.98 122.48 2dmh s PHE 35 Ca 0.05 1.76 -0.01 0.00 -0.96 0.00 0.00 56.93 57.76 2dmh s PHE 35 Cb -0.13 0.47 -0.02 0.00 -0.34 0.00 0.00 43.02 43.01 2dmh s PHE 35 CO -0.07 -0.46 0.86 1.63 -1.46 0.00 0.00 175.22 175.72 2dmh n LYS 36 N 4.51 -4.87 -3.76 10.12 4.76 -1.26 -2.50 118.16 125.17 2dmh n LYS 36 Ca -0.19 0.75 -0.29 0.00 -2.87 0.00 0.00 58.31 55.71 2dmh n LYS 36 Cb 0.56 -5.43 -0.01 0.00 -1.84 0.00 0.00 35.03 28.30 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 -2.91 -3.65 -3.80 4.39 2.03 -1.26 -4.92 116.55 106.43 2dmh n ASP 37 Ca -0.21 -0.67 -0.30 0.00 0.52 0.00 0.00 54.79 54.14 2dmh n ASP 37 Cb 0.64 -2.99 -0.15 0.00 -0.72 0.00 0.00 41.12 37.89 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 -6.43 0.93 -0.16 -0.67 2.12 -1.04 -5.11 118.70 108.34 2dmh s GLU 38 Ca 0.56 -1.08 -0.23 0.00 0.36 0.00 0.00 54.97 54.59 2dmh s GLU 38 Cb -0.30 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 2dmh s GLU 38 CO 0.69 -0.88 0.70 0.21 -0.54 0.00 0.00 175.26 175.44 2dmh s LYS 39 N 1.53 4.28 -0.01 4.30 2.20 -1.26 -2.72 119.74 128.07 2dmh s LYS 39 Ca 0.06 0.78 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2dmh s LYS 39 Cb -0.18 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 2dmh s LYS 39 CO -0.18 -0.19 0.01 0.15 -0.36 0.00 0.00 175.35 174.77 2dmh s LYS 40 N 1.73 0.00 0.06 4.03 1.02 -0.12 -5.02 119.74 121.45 2dmh s LYS 40 Ca 0.33 0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.41 2dmh s LYS 40 Cb -0.16 -0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 2dmh s LYS 40 CO 0.12 -0.05 -0.12 -1.59 -0.92 0.00 0.00 175.35 172.80 2dmh s LYS 41 N 0.31 0.72 0.71 1.68 0.00 -1.26 0.48 119.74 122.38 2dmh s LYS 41 Ca -0.03 -0.91 -0.06 0.00 0.00 0.00 0.00 55.97 54.98 2dmh s LYS 41 Cb -0.04 -0.61 0.07 0.00 0.00 0.00 0.00 37.83 37.25 2dmh s LYS 41 CO -0.01 0.13 1.01 0.95 0.00 0.00 0.00 175.35 177.43 2dmh s THR 42 N -1.43 2.28 -0.06 3.79 -4.23 -0.71 -4.99 115.64 110.29 2dmh s THR 42 Ca -0.04 -0.31 -0.29 0.00 -1.18 0.00 0.00 61.69 59.87 2dmh s THR 42 Cb -0.09 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2dmh s THR 42 CO 0.01 0.00 1.86 -1.59 -0.54 0.00 0.00 174.62 174.36 2dmh s LYS 43 N -5.24 3.96 0.81 3.99 -2.85 -1.26 -4.64 119.74 114.51 2dmh s LYS 43 Ca 0.61 2.27 -0.15 0.00 -1.00 0.00 0.00 55.97 57.70 2dmh s LYS 43 Cb -0.10 -4.12 0.00 0.00 -2.06 0.00 0.00 37.83 31.55 2dmh s LYS 43 CO 0.45 -1.14 0.56 0.36 0.10 0.00 0.00 175.35 175.68 2dmh n LYS 44 N 7.61 0.09 -4.70 1.78 2.85 -1.26 -4.93 118.16 119.59 2dmh n LYS 44 Ca 0.20 0.08 -0.33 0.00 -1.05 0.00 0.00 58.31 57.21 2dmh n LYS 44 Cb 0.43 -1.91 -0.16 0.00 -0.65 0.00 0.00 35.03 32.74 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 -2.10 2.36 1.07 0.58 1.01 -1.08 -5.05 120.40 117.20 2dmh s VAL 45 Ca 0.63 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 2dmh s VAL 45 Cb -0.29 -1.96 0.11 0.00 0.00 0.00 0.00 36.38 34.24 2dmh s VAL 45 CO 0.61 0.54 0.02 0.47 0.00 0.00 0.00 175.10 176.73 2dmh n ASP 46 N 3.95 -2.73 -3.26 3.32 8.00 -1.26 -3.76 116.55 120.81 2dmh n ASP 46 Ca -0.19 -0.25 -0.29 0.00 0.71 0.00 0.00 54.79 54.77 2dmh n ASP 46 Cb 0.52 -0.83 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.14 0.12 -3.64 -2.24 6.94 -1.26 -4.73 115.26 109.32 2dmh n ASN 47 Ca 0.03 0.09 -0.08 0.00 -0.02 0.00 0.00 54.58 54.60 2dmh n ASN 47 Cb 0.52 -0.65 -0.07 0.00 -2.36 0.00 0.00 39.78 37.22 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 6.42 0.60 -0.05 -3.83 2.56 -1.07 -4.91 118.70 118.43 2dmh s GLU 48 Ca 0.98 0.87 -0.22 0.00 0.00 0.00 0.00 54.97 56.60 2dmh s GLU 48 Cb -0.89 0.21 -0.29 0.00 2.00 0.00 0.00 34.13 35.15 2dmh s GLU 48 CO 0.36 -0.10 0.93 -0.07 -0.56 0.00 0.00 175.26 175.82 2dmh h LEU 49 N 5.60 0.43 -7.39 2.70 4.07 -1.87 -3.40 115.31 115.45 2dmh h LEU 49 Ca -0.29 -0.92 -0.74 0.00 0.08 0.00 0.00 57.88 56.02 2dmh h LEU 49 Cb 1.19 -0.14 -0.33 0.00 1.08 0.00 0.00 40.66 42.46 2dmh h LEU 49 CO 0.13 1.31 0.09 0.20 -1.08 0.00 0.00 178.44 179.09 2dmh s ASN 50 N -6.84 6.44 0.49 -0.43 0.01 -1.26 -4.11 114.94 109.24 2dmh s ASN 50 Ca -0.14 -3.70 -0.22 0.00 -0.71 0.00 0.00 52.86 48.10 2dmh s ASN 50 Cb 0.01 -2.01 -0.07 0.00 0.41 0.00 0.00 41.25 39.60 2dmh s ASN 50 CO 0.81 -0.21 1.15 -2.16 -1.51 0.00 0.00 177.10 175.18 2dmh s PRO 51 N -1.34 3.60 -0.29 -0.60 0.04 -1.22 -4.84 135.00 130.35 2dmh s PRO 51 Ca 0.29 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2dmh s PRO 51 Cb -0.08 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.30 2dmh s PRO 51 CO -0.11 -0.67 0.03 0.08 0.04 0.00 0.00 177.00 176.37 2dmh s VAL 52 N -1.63 1.60 -0.21 -0.36 1.01 -1.26 -2.21 120.40 117.33 2dmh s VAL 52 Ca 0.67 -1.66 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 2dmh s VAL 52 Cb -0.27 -2.07 -0.19 0.00 0.00 0.00 0.00 36.38 33.86 2dmh s VAL 52 CO 0.32 -0.44 0.17 0.79 0.00 0.00 0.00 175.10 175.94 2dmh n TRP 53 N 4.58 0.95 -3.93 5.22 8.01 -1.12 -4.99 117.44 126.16 2dmh n TRP 53 Ca -0.04 0.40 -0.26 0.00 -1.31 0.00 0.00 57.50 56.29 2dmh n TRP 53 Cb 0.43 -1.10 -0.00 0.00 -2.01 0.00 0.00 31.31 28.63 2dmh n TRP 53 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2dmh n ASN 54 N -4.39 -1.45 -4.81 -0.99 3.02 0.20 -4.97 115.26 101.85 2dmh n ASN 54 Ca -0.34 -0.94 -0.27 0.00 -0.03 0.00 0.00 54.58 53.00 2dmh n ASN 54 Cb 0.71 -3.35 -0.05 0.00 -0.61 0.00 0.00 39.78 36.48 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2dmh s GLU 55 N -6.48 2.23 -0.05 3.52 1.03 -1.22 -4.98 118.70 112.75 2dmh s GLU 55 Ca 0.18 -2.06 0.02 0.00 0.03 0.00 0.00 54.97 53.15 2dmh s GLU 55 Cb -0.10 -1.92 0.01 0.00 -0.80 0.00 0.00 34.13 31.33 2dmh s GLU 55 CO 0.87 -0.39 -0.11 0.42 -1.33 0.00 0.00 175.26 174.72 2dmh s ILE 56 N -2.74 1.00 0.25 1.83 1.01 -1.26 -2.46 121.20 118.83 2dmh s ILE 56 Ca 0.29 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.60 2dmh s ILE 56 Cb 0.01 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2dmh s ILE 56 CO 0.17 0.32 -0.01 -0.76 0.00 0.00 0.00 174.94 174.66 2dmh s LEU 57 N 0.47 3.20 0.03 2.97 1.43 -0.76 -4.96 118.68 121.06 2dmh s LEU 57 Ca -0.10 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2dmh s LEU 57 Cb -0.13 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2dmh s LEU 57 CO 0.02 0.02 -0.03 -1.61 0.23 0.00 0.00 176.35 174.98 2dmh s GLU 58 N -3.52 0.39 -0.07 1.70 2.02 -1.26 -1.13 118.70 116.83 2dmh s GLU 58 Ca 0.30 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 2dmh s GLU 58 Cb -0.07 0.12 0.04 0.00 0.10 0.00 0.00 34.13 34.32 2dmh s GLU 58 CO 0.19 -0.06 0.13 -0.06 0.02 0.00 0.00 175.26 175.49 2dmh s PHE 59 N -2.04 -0.14 0.11 1.61 0.40 -0.35 -4.96 117.98 112.61 2dmh s PHE 59 Ca -0.10 0.48 -0.30 0.00 -0.60 0.00 0.00 56.93 56.40 2dmh s PHE 59 Cb -0.06 -0.17 -0.06 0.00 0.51 0.00 0.00 43.02 43.24 2dmh s PHE 59 CO -0.03 -0.19 1.03 0.34 0.70 0.00 0.00 175.22 177.07 2dmh s ASP 60 N 1.54 7.36 0.00 1.36 2.15 -1.26 -1.25 116.67 126.56 2dmh s ASP 60 Ca -0.05 1.89 0.15 0.00 0.43 0.00 0.00 52.55 54.97 2dmh s ASP 60 Cb -0.12 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.75 2dmh s ASP 60 CO -0.05 -0.19 0.66 0.18 -0.17 0.00 0.00 175.17 175.59 2dmh n LEU 61 N 2.97 0.74 -3.96 -1.34 4.77 -0.74 -4.95 117.00 114.48 2dmh n LEU 61 Ca 0.04 -0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 55.20 2dmh n LEU 61 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2dmh n LEU 61 CO 0.53 0.18 0.09 0.54 -1.33 0.00 0.00 177.39 177.40 2dmh n ARG 62 N -1.35 -5.19 -1.00 3.23 1.74 -0.98 0.28 116.66 113.39 2dmh n ARG 62 Ca 0.03 0.56 -0.00 0.00 -0.77 0.00 0.00 57.85 57.67 2dmh n ARG 62 Cb 0.24 -5.43 -0.00 0.00 -1.02 0.00 0.00 32.46 26.25 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 -1.65 0.47 3.47 -0.13 0.00 -0.01 -5.00 105.19 102.34 2dmh n GLY 63 Ca 0.05 -0.08 -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 -1.94 4.90 0.73 -0.61 -1.09 0.14 -4.87 121.20 118.47 2dmh s ILE 64 Ca 0.00 -0.29 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 2dmh s ILE 64 Cb 0.00 -4.22 0.04 0.00 -1.58 0.00 0.00 42.46 36.69 2dmh s ILE 64 CO 0.00 -0.67 1.10 -2.16 -1.23 0.00 0.00 174.94 171.98 2dmh s PRO 65 N 2.59 2.45 1.11 2.79 0.04 -1.26 -4.80 135.00 137.92 2dmh s PRO 65 Ca 0.17 1.25 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 2dmh s PRO 65 Cb -0.17 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 32.71 2dmh s PRO 65 CO 0.14 -1.50 1.22 -0.51 0.04 0.00 0.00 177.00 176.39 2dmh s LEU 66 N -5.54 1.64 0.00 -3.56 1.43 -1.26 -5.10 118.68 106.29 2dmh s LEU 66 Ca 0.63 0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 54.03 2dmh s LEU 66 Cb -0.18 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 43.85 2dmh s LEU 66 CO 0.51 -3.55 0.66 -0.67 0.23 0.00 0.00 176.35 173.53 2dmh n ASP 67 N -4.34 -1.89 0.00 2.29 2.03 -1.26 -4.87 116.55 108.51 2dmh n ASP 67 Ca 0.15 -2.73 0.12 0.00 0.52 0.00 0.00 54.79 52.85 2dmh n ASP 67 Cb 0.59 3.27 0.62 0.00 -0.72 0.00 0.00 41.12 44.89 2dmh n ASP 67 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dmh n PHE 68 N -0.55 0.00 0.66 -0.67 3.72 -1.26 -2.47 117.46 116.89 2dmh n PHE 68 Ca -0.05 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.42 2dmh n PHE 68 Cb 0.59 -0.25 -0.04 0.00 -0.94 0.00 0.00 39.48 38.84 2dmh n PHE 68 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2dmh n SER 69 N -1.25 1.12 -4.69 4.37 3.41 -1.26 -4.76 113.62 110.56 2dmh n SER 69 Ca 0.12 -1.06 -0.40 0.00 -0.26 0.00 0.00 58.87 57.27 2dmh n SER 69 Cb 0.18 0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 64.80 2dmh n SER 69 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dmh s SER 70 N -2.05 6.90 0.13 4.04 0.01 -1.03 -5.05 113.70 116.65 2dmh s SER 70 Ca 0.09 1.10 -0.06 0.00 1.31 0.00 0.00 55.95 58.38 2dmh s SER 70 Cb 0.11 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2dmh s SER 70 CO 0.47 -0.24 0.17 -0.94 0.41 0.00 0.00 173.24 173.12 2dmh s SER 71 N 1.01 0.17 0.12 2.44 1.04 -1.26 -2.12 113.70 115.09 2dmh s SER 71 Ca 0.36 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.91 2dmh s SER 71 Cb -0.17 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2dmh s SER 71 CO 0.14 -0.78 0.13 -0.22 0.98 0.00 0.00 173.24 173.49 2dmh s LEU 72 N -2.96 3.91 -0.28 2.42 2.96 0.66 -4.91 118.68 120.48 2dmh s LEU 72 Ca 0.15 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 2dmh s LEU 72 Cb 0.05 -2.54 0.07 0.00 0.50 0.00 0.00 46.19 44.27 2dmh s LEU 72 CO -0.03 0.12 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.25 2dmh s GLY 73 N -2.75 1.64 -0.45 7.98 0.00 -1.24 -1.65 107.32 110.85 2dmh s GLY 73 Ca 0.31 -1.91 -0.16 0.00 0.00 0.00 0.00 44.72 42.95 2dmh s GLY 73 CO 0.24 0.83 0.42 -0.42 0.00 0.00 0.00 173.10 174.16 2dmh s ILE 74 N 1.13 5.15 -0.23 0.90 -1.09 0.12 -3.28 121.20 123.89 2dmh s ILE 74 Ca -0.01 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.69 2dmh s ILE 74 Cb -0.19 -4.08 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 2dmh s ILE 74 CO -0.07 -0.50 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.45 2dmh s ILE 75 N 1.93 3.13 -0.31 2.92 1.01 -1.07 -0.37 121.20 128.44 2dmh s ILE 75 Ca 0.08 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2dmh s ILE 75 Cb -0.20 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.77 2dmh s ILE 75 CO 0.10 0.32 0.15 -0.69 0.00 0.00 0.00 174.94 174.82 2dmh s VAL 76 N 1.41 4.52 0.33 2.92 1.01 0.11 -2.57 120.40 128.12 2dmh s VAL 76 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2dmh s VAL 76 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2dmh s VAL 76 CO -0.04 0.04 0.19 -0.54 0.00 0.00 0.00 175.10 174.75 2dmh s LYS 77 N 1.59 1.69 -0.14 2.72 1.02 -1.20 -2.48 119.74 122.94 2dmh s LYS 77 Ca 0.04 -1.99 -0.11 0.00 0.02 0.00 0.00 55.97 53.93 2dmh s LYS 77 Cb -0.17 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.04 2dmh s LYS 77 CO 0.06 -0.52 0.23 -0.51 -0.92 0.00 0.00 175.35 173.69 2dmh s ASP 78 N -3.41 6.41 0.17 2.83 1.01 -1.26 -2.35 116.67 120.07 2dmh s ASP 78 Ca 0.35 0.48 -0.12 0.00 0.71 0.00 0.00 52.55 53.97 2dmh s ASP 78 Cb 0.04 -2.14 0.08 0.00 1.01 0.00 0.00 42.92 41.90 2dmh s ASP 78 CO 0.20 0.21 1.77 0.15 0.21 0.00 0.00 175.17 177.71 2dmh h PHE 79 N 6.07 0.84 -0.98 4.23 3.57 -1.82 -2.19 116.94 126.66 2dmh h PHE 79 Ca -0.45 -0.04 0.29 0.00 3.53 0.00 0.00 57.97 61.30 2dmh h PHE 79 Cb 1.18 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 2dmh h PHE 79 CO 0.64 0.63 0.78 0.93 -2.23 0.00 0.00 178.31 179.06 2dmh h GLU 80 N 0.81 0.00 -5.02 1.11 5.08 -1.94 -3.35 114.58 111.27 2dmh h GLU 80 Ca 0.21 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.90 2dmh h GLU 80 Cb 0.10 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.01 2dmh h GLU 80 CO -0.03 0.00 -0.82 0.95 -1.00 0.00 0.00 179.01 178.11 2dmh s THR 81 N -4.85 2.39 -0.00 1.13 -4.23 -0.82 -5.00 115.64 104.26 2dmh s THR 81 Ca -0.05 -0.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2dmh s THR 81 Cb 0.21 -2.08 -0.00 0.00 1.34 0.00 0.00 72.50 71.96 2dmh s THR 81 CO 0.72 0.43 -0.02 -0.38 -0.54 0.00 0.00 174.62 174.84 2dmh n ILE 82 N 4.64 0.21 -1.89 2.99 -0.00 -1.26 -4.51 119.36 119.54 2dmh n ILE 82 Ca -0.19 0.20 -0.40 0.00 -0.00 0.00 0.00 62.75 62.36 2dmh n ILE 82 Cb 0.49 -1.29 -0.01 0.00 -0.00 0.00 0.00 39.64 38.84 2dmh n ILE 82 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2dmh n GLY 83 N 2.77 4.94 3.35 7.39 0.00 -1.26 -4.89 105.19 117.50 2dmh n GLY 83 Ca -0.01 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 2dmh n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmh s GLN 84 N -0.15 1.20 -0.37 1.61 -0.21 -1.26 -5.05 119.66 115.43 2dmh s GLN 84 Ca 0.55 -1.22 -0.03 0.00 0.02 0.00 0.00 55.36 54.68 2dmh s GLN 84 Cb 0.17 0.38 0.10 0.00 1.00 0.00 0.00 33.01 34.66 2dmh s GLN 84 CO -0.07 -0.44 2.52 0.09 -2.12 0.00 0.00 175.29 175.27 2dmh n ASN 85 N -0.23 6.39 -4.19 5.90 3.02 -1.26 -4.80 115.26 120.09 2dmh n ASN 85 Ca -0.06 -3.10 -0.40 0.00 -0.03 0.00 0.00 54.58 50.98 2dmh n ASN 85 Cb 0.63 -1.17 -0.07 0.00 -0.61 0.00 0.00 39.78 38.56 2dmh n ASN 85 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dmh s LYS 86 N -1.58 2.87 -0.17 3.52 2.20 -1.26 -5.05 119.74 120.27 2dmh s LYS 86 Ca 0.48 -2.39 -0.05 0.00 -0.36 0.00 0.00 55.97 53.65 2dmh s LYS 86 Cb 0.32 -3.98 -0.03 0.00 -1.51 0.00 0.00 37.83 32.63 2dmh s LYS 86 CO -0.12 -1.21 0.00 -1.17 -0.36 0.00 0.00 175.35 172.49 2dmh s LEU 87 N 0.23 3.44 -0.17 5.43 0.20 -1.26 -4.60 118.68 121.94 2dmh s LEU 87 Ca 0.15 -0.07 -0.22 0.00 0.69 0.00 0.00 54.13 54.68 2dmh s LEU 87 Cb -0.18 -1.85 -0.22 0.00 -0.43 0.00 0.00 46.19 43.51 2dmh s LEU 87 CO -0.05 0.15 0.41 0.40 -0.29 0.00 0.00 176.35 176.97 2dmh h ILE 88 N 5.10 1.15 0.00 6.68 2.04 -1.92 -3.44 117.51 127.11 2dmh h ILE 88 Ca -0.34 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.27 2dmh h ILE 88 Cb 1.18 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 2dmh h ILE 88 CO 0.65 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.86 2dmh n GLY 89 N 1.53 0.97 3.22 5.37 0.00 -1.04 -4.57 105.19 110.67 2dmh n GLY 89 Ca -0.25 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 0.30 0.10 2.61 -4.23 0.77 -0.72 115.64 112.48 2dmh s THR 90 Ca 0.00 -1.97 -0.25 0.00 -1.18 0.00 0.00 61.69 58.29 2dmh s THR 90 Cb 0.00 -2.30 0.07 0.00 1.34 0.00 0.00 72.50 71.62 2dmh s THR 90 CO 0.00 -0.26 0.63 0.00 -0.54 0.00 0.00 174.62 174.46 2dmh s ALA 91 N -3.93 -1.65 -0.10 3.99 0.00 0.50 -0.58 121.76 120.00 2dmh s ALA 91 Ca 0.31 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 2dmh s ALA 91 Cb 0.07 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.88 2dmh s ALA 91 CO 0.07 -0.68 -0.04 0.99 0.00 0.00 0.00 175.76 176.10 2dmh s THR 92 N -3.15 0.77 -0.34 0.00 2.01 -1.26 -0.70 115.64 112.96 2dmh s THR 92 Ca -0.01 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 2dmh s THR 92 Cb -0.01 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2dmh s THR 92 CO -0.08 0.31 0.24 -0.69 -0.69 0.00 0.00 174.62 173.71 2dmh s VAL 93 N 1.81 5.22 -0.41 3.82 1.01 -0.66 -4.92 120.40 126.27 2dmh s VAL 93 Ca 0.05 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2dmh s VAL 93 Cb -0.13 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2dmh s VAL 93 CO -0.07 -0.03 1.35 0.00 0.00 0.00 0.00 175.10 176.35 2dmh s ALA 94 N 1.71 3.10 -2.00 5.51 0.00 -1.26 -0.24 121.76 128.58 2dmh s ALA 94 Ca 0.06 -0.19 0.24 0.00 0.00 0.00 0.00 51.96 52.07 2dmh s ALA 94 Cb -0.18 -3.91 1.44 0.00 0.00 0.00 0.00 23.12 20.47 2dmh s ALA 94 CO 0.10 -2.30 1.81 1.28 0.00 0.00 0.00 175.76 176.65 2dmh n LEU 95 N 8.50 0.00 0.33 0.00 4.77 -0.90 -3.39 117.00 126.30 2dmh n LEU 95 Ca 0.15 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.34 2dmh n LEU 95 Cb 0.48 0.00 1.15 0.00 -2.33 0.00 0.00 43.42 42.72 2dmh n LEU 95 CO 0.70 0.00 1.17 0.07 -1.33 0.00 0.00 177.39 178.00 2dmh h LYS 96 N 0.00 0.00 0.00 3.23 2.10 -1.70 0.71 116.57 120.91 2dmh h LYS 96 Ca 0.00 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 2dmh h LYS 96 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2dmh h LYS 96 CO 0.00 0.00 -0.75 -0.44 -2.00 0.00 0.00 179.45 176.26 2dmh h ASP 97 N 0.00 0.00 0.49 7.07 5.19 -1.91 -3.31 116.42 123.96 2dmh h ASP 97 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 2dmh h ASP 97 Cb 0.01 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2dmh h ASP 97 CO -0.00 0.57 -1.62 -0.07 -3.12 0.00 0.00 179.24 174.99 2dmh h LEU 98 N 0.00 0.14 -9.01 1.55 3.38 -1.19 -3.48 115.31 106.71 2dmh h LEU 98 Ca -0.04 -0.26 -0.59 0.00 0.09 0.00 0.00 57.88 57.08 2dmh h LEU 98 Cb 1.47 -0.05 0.19 0.00 0.09 0.00 0.00 40.66 42.36 2dmh h LEU 98 CO 0.07 1.22 -1.27 0.35 0.09 0.00 0.00 178.44 178.90 2dmh n THR 99 N -3.24 0.03 -2.45 0.22 -2.24 -0.26 -4.73 114.28 101.61 2dmh n THR 99 Ca -0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2dmh n THR 99 Cb 1.03 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 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 2.66 -0.01 0.49 3.38 0.00 -1.26 -4.94 105.19 105.52 2dmh n GLY 100 Ca 0.06 -1.34 0.07 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 2.38 -3.63 1.61 8.00 -1.26 -4.84 116.55 118.82 2dmh n ASP 101 Ca 0.00 -3.42 -0.11 0.00 0.71 0.00 0.00 54.79 51.96 2dmh n ASP 101 Cb 0.00 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 40.55 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 -3.03 1.04 0.09 -1.24 -0.21 -1.26 -4.87 119.66 110.17 2dmh s GLN 102 Ca 0.37 -0.58 -0.31 0.00 0.02 0.00 0.00 55.36 54.86 2dmh s GLN 102 Cb 0.33 0.46 -0.07 0.00 1.00 0.00 0.00 33.01 34.73 2dmh s GLN 102 CO 0.00 -0.40 1.36 0.45 -2.12 0.00 0.00 175.29 174.59 2dmh s SER 103 N -2.55 6.87 -0.07 5.90 0.15 -1.26 -4.55 113.70 118.19 2dmh s SER 103 Ca 0.00 2.24 -0.03 0.00 0.70 0.00 0.00 55.95 58.87 2dmh s SER 103 Cb 0.01 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2dmh s SER 103 CO -0.09 -0.64 0.12 -0.60 1.20 0.00 0.00 173.24 173.23 2dmh s ARG 104 N 1.34 -0.02 -0.34 5.44 3.52 -0.81 -4.99 118.95 123.09 2dmh s ARG 104 Ca 0.64 0.48 -0.02 0.00 -0.13 0.00 0.00 55.73 56.70 2dmh s ARG 104 Cb -0.35 -0.39 0.07 0.00 -1.56 0.00 0.00 34.95 32.73 2dmh s ARG 104 CO 0.29 -0.32 0.07 -1.54 -0.81 0.00 0.00 175.30 172.99 2dmh s SER 105 N 2.24 5.01 -0.24 -2.12 1.04 -1.26 -1.87 113.70 116.50 2dmh s SER 105 Ca 0.04 -1.58 -0.08 0.00 0.48 0.00 0.00 55.95 54.82 2dmh s SER 105 Cb -0.12 -1.75 -0.03 0.00 0.10 0.00 0.00 66.02 64.22 2dmh s SER 105 CO -0.05 -0.36 0.09 -0.76 0.98 0.00 0.00 173.24 173.14 2dmh s LEU 106 N 1.19 3.59 -0.40 2.42 1.43 -1.03 -4.98 118.68 120.91 2dmh s LEU 106 Ca 0.00 -0.13 -0.28 0.00 -1.03 0.00 0.00 54.13 52.70 2dmh s LEU 106 Cb -0.21 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2dmh s LEU 106 CO -0.02 0.00 1.73 -2.16 0.23 0.00 0.00 176.35 176.13 2dmh s PRO 107 N 1.40 3.26 -0.60 1.29 0.04 -1.26 -3.67 135.00 135.46 2dmh s PRO 107 Ca 0.06 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 2dmh s PRO 107 Cb -0.15 -4.20 0.09 0.00 0.04 0.00 0.00 34.50 30.28 2dmh s PRO 107 CO 0.04 -1.95 0.78 0.71 0.04 0.00 0.00 177.00 176.62 2dmh s TYR 108 N 6.97 2.90 0.37 0.56 1.51 0.26 -4.97 117.35 124.95 2dmh s TYR 108 Ca 0.74 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 2dmh s TYR 108 Cb -0.19 -4.05 -0.06 0.00 -0.11 0.00 0.00 41.96 37.56 2dmh s TYR 108 CO 0.31 -1.38 0.05 0.15 -1.11 0.00 0.00 175.55 173.58 2dmh s LYS 109 N 3.13 1.82 -1.47 -0.62 1.02 -1.26 0.37 119.74 122.73 2dmh s LYS 109 Ca 0.16 -2.05 -0.07 0.00 0.02 0.00 0.00 55.97 54.03 2dmh s LYS 109 Cb -0.21 -1.07 0.01 0.00 -0.52 0.00 0.00 37.83 36.04 2dmh s LYS 109 CO 0.08 -0.22 0.86 1.28 -0.92 0.00 0.00 175.35 176.44 2dmh n LEU 110 N -0.84 -3.01 -4.66 3.17 4.77 -1.26 -4.94 117.00 110.23 2dmh n LEU 110 Ca -0.05 -0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 55.11 2dmh n LEU 110 Cb 0.66 -3.00 -0.04 0.00 -2.33 0.00 0.00 43.42 38.72 2dmh n LEU 110 CO 0.42 0.42 0.71 -0.63 -1.33 0.00 0.00 177.39 176.99 2dmh s ILE 111 N -3.24 4.81 -0.40 -0.08 1.01 -1.25 -4.96 121.20 117.08 2dmh s ILE 111 Ca 0.43 1.72 -0.27 0.00 0.00 0.00 0.00 60.65 62.52 2dmh s ILE 111 Cb -0.19 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.13 2dmh s ILE 111 CO 0.53 -0.07 1.02 -0.44 0.00 0.00 0.00 174.94 175.98 2dmh s SER 112 N 1.25 6.69 0.42 3.58 0.01 -1.26 -3.37 113.70 121.02 2dmh s SER 112 Ca 0.39 0.57 -0.23 0.00 1.31 0.00 0.00 55.95 57.98 2dmh s SER 112 Cb -0.16 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.48 2dmh s SER 112 CO 0.09 -1.01 1.04 -0.76 0.41 0.00 0.00 173.24 173.01 2dmh s LEU 113 N 3.84 4.06 -0.02 2.44 1.43 -0.78 -4.84 118.68 124.81 2dmh s LEU 113 Ca 0.42 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 55.58 2dmh s LEU 113 Cb -0.10 -4.29 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 2dmh s LEU 113 CO 0.23 -0.56 -0.18 -0.76 0.23 0.00 0.00 176.35 175.31 2dmh s LEU 114 N -2.87 2.02 0.00 1.79 1.43 0.25 -0.54 118.68 120.76 2dmh s LEU 114 Ca 0.60 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 2dmh s LEU 114 Cb -0.20 -0.94 0.17 0.00 0.03 0.00 0.00 46.19 45.25 2dmh s LEU 114 CO 0.25 0.21 0.57 -0.46 0.23 0.00 0.00 176.35 177.16 2dmh n ASN 115 N 2.70 -1.75 0.06 2.29 0.23 -1.12 -0.16 115.26 117.51 2dmh n ASN 115 Ca -0.15 -0.82 0.05 0.00 -0.53 0.00 0.00 54.58 53.14 2dmh n ASN 115 Cb 0.54 -0.54 0.26 0.00 -2.08 0.00 0.00 39.78 37.96 2dmh n ASN 115 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2dmh n GLU 116 N -3.36 0.06 -0.03 -3.83 0.28 -1.26 -1.19 120.64 111.30 2dmh n GLU 116 Ca 0.08 0.49 -0.06 0.00 -0.16 0.00 0.00 57.16 57.52 2dmh n GLU 116 Cb 0.32 -1.67 -0.13 0.00 1.43 0.00 0.00 31.44 31.38 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 -1.79 0.65 0.00 3.44 4.76 -1.26 -4.99 118.16 118.97 2dmh n LYS 117 Ca 0.00 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2dmh n LYS 117 Cb 0.06 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 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 1.56 1.35 3.55 0.72 0.00 -0.33 -5.10 105.19 106.93 2dmh n GLY 118 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.24 3.57 -0.49 1.61 -1.52 -1.26 -4.82 119.66 116.51 2dmh s GLN 119 Ca 0.00 -0.48 -0.46 0.00 -1.95 0.00 0.00 55.36 52.47 2dmh s GLN 119 Cb 0.00 -2.92 -0.20 0.00 -0.22 0.00 0.00 33.01 29.67 2dmh s GLN 119 CO 0.00 0.33 1.60 -0.40 -0.25 0.00 0.00 175.29 176.57 2dmh n ASP 120 N 3.27 1.17 0.14 5.90 5.68 -1.26 -2.78 116.55 128.67 2dmh n ASP 120 Ca -0.17 1.15 0.08 0.00 -0.50 0.00 0.00 54.79 55.35 2dmh n ASP 120 Cb 0.53 -0.87 0.05 0.00 -1.14 0.00 0.00 41.12 39.69 2dmh n ASP 120 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2dmh h THR 121 N 5.00 0.22 0.00 2.12 1.35 -1.14 -3.47 112.91 116.99 2dmh h THR 121 Ca -0.42 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 2dmh h THR 121 Cb 1.35 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 2dmh h THR 121 CO 0.97 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.97 2dmh n GLY 122 N 1.19 0.83 3.41 5.82 0.00 -1.26 -4.76 105.19 110.42 2dmh n GLY 122 Ca 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 2.69 -0.06 4.61 0.00 -1.10 -4.55 121.76 121.35 2dmh s ALA 123 Ca 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.11 2dmh s ALA 123 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2dmh s ALA 123 CO 0.00 0.30 -0.16 0.95 0.00 0.00 0.00 175.76 176.85 2dmh s THR 124 N 0.15 2.88 -0.05 0.00 -4.23 -0.14 -1.86 115.64 112.39 2dmh s THR 124 Ca -0.06 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2dmh s THR 124 Cb -0.15 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.59 2dmh s THR 124 CO 0.04 0.58 -0.07 -0.51 -0.54 0.00 0.00 174.62 174.13 2dmh s ILE 125 N -0.53 0.71 0.07 2.99 2.07 -1.22 -0.61 121.20 124.68 2dmh s ILE 125 Ca 0.07 -0.23 -0.17 0.00 -1.41 0.00 0.00 60.65 58.91 2dmh s ILE 125 Cb -0.11 -0.69 -0.07 0.00 0.13 0.00 0.00 42.46 41.72 2dmh s ILE 125 CO 0.01 0.26 0.53 -1.81 -1.91 0.00 0.00 174.94 172.02 2dmh s ASP 126 N 0.81 6.96 -0.05 4.50 1.01 -0.28 -3.94 116.67 125.68 2dmh s ASP 126 Ca -0.13 1.16 -0.15 0.00 0.71 0.00 0.00 52.55 54.15 2dmh s ASP 126 Cb -0.15 -2.32 0.03 0.00 1.01 0.00 0.00 42.92 41.49 2dmh s ASP 126 CO 0.01 0.25 0.34 -0.76 0.21 0.00 0.00 175.17 175.22 2dmh s LEU 127 N -1.29 0.72 -0.35 1.23 1.43 0.16 -2.97 118.68 117.61 2dmh s LEU 127 Ca 0.30 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2dmh s LEU 127 Cb -0.18 1.32 0.11 0.00 0.03 0.00 0.00 46.19 47.46 2dmh s LEU 127 CO 0.18 -0.37 0.11 -0.69 0.23 0.00 0.00 176.35 175.81 2dmh s VAL 128 N -0.91 1.53 0.18 -1.59 1.01 0.33 0.90 120.40 121.85 2dmh s VAL 128 Ca -0.10 -2.00 -0.03 0.00 0.00 0.00 0.00 61.98 59.85 2dmh s VAL 128 Cb -0.04 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2dmh s VAL 128 CO 0.03 -0.69 0.40 -0.63 0.00 0.00 0.00 175.10 174.22 2dmh s ILE 129 N 1.08 5.16 -0.10 2.22 1.01 -1.24 -1.67 121.20 127.67 2dmh s ILE 129 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.62 2dmh s ILE 129 Cb -0.19 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.65 2dmh s ILE 129 CO -0.14 -0.07 0.21 -0.83 0.00 0.00 0.00 174.94 174.11 2dmh s GLY 130 N -2.76 -0.06 0.12 6.18 0.00 -0.63 -2.46 107.32 107.71 2dmh s GLY 130 Ca 0.40 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.89 2dmh s GLY 130 CO 0.27 1.55 0.34 -0.47 0.00 0.00 0.00 173.10 174.79 2dmh s TYR 131 N 1.90 3.49 -0.08 1.90 5.04 -0.78 -2.72 117.35 126.10 2dmh s TYR 131 Ca -0.03 0.51 -0.03 0.00 -2.44 0.00 0.00 57.07 55.08 2dmh s TYR 131 Cb -0.12 -1.96 0.05 0.00 0.35 0.00 0.00 41.96 40.28 2dmh s TYR 131 CO -0.07 0.48 0.15 0.34 -1.34 0.00 0.00 175.55 175.11 2dmh s ASP 132 N -2.38 0.75 0.20 4.32 -1.08 -1.25 -1.93 116.67 115.30 2dmh s ASP 132 Ca 0.39 0.32 -0.30 0.00 -0.52 0.00 0.00 52.55 52.44 2dmh s ASP 132 Cb -0.12 0.25 -0.09 0.00 -1.46 0.00 0.00 42.92 41.50 2dmh s ASP 132 CO 0.25 -0.24 1.30 -2.16 0.52 0.00 0.00 175.17 174.83 2dmh s PRO 133 N 2.26 4.39 0.51 4.34 0.04 -1.26 -3.75 135.00 141.54 2dmh s PRO 133 Ca 0.03 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.91 2dmh s PRO 133 Cb -0.12 -3.19 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 2dmh s PRO 133 CO -0.06 -0.24 1.14 -1.25 0.04 0.00 0.00 177.00 176.64 2dmh s PRO 134 N -0.18 3.51 -0.68 0.56 0.04 -1.26 -4.63 135.00 132.35 2dmh s PRO 134 Ca 0.56 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 63.07 2dmh s PRO 134 Cb -0.36 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.12 2dmh s PRO 134 CO 0.39 -0.73 0.89 -1.54 0.04 0.00 0.00 177.00 176.04 2dmh s SER 135 N -1.62 6.27 0.07 6.66 1.04 -0.46 -4.91 113.70 120.74 2dmh s SER 135 Ca 0.69 -1.38 0.06 0.00 0.48 0.00 0.00 55.95 55.81 2dmh s SER 135 Cb -0.26 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2dmh s SER 135 CO 0.30 -1.24 -0.11 -0.83 0.98 0.00 0.00 173.24 172.34 2dmh s GLY 136 N 3.61 1.73 -0.33 7.32 0.00 -1.26 -4.91 107.32 113.49 2dmh s GLY 136 Ca 0.20 -1.18 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 2dmh s GLY 136 CO 0.05 -1.11 1.68 2.56 0.00 0.00 0.00 173.10 176.28 2dmh s PRO 137 N -1.85 3.48 0.21 2.90 0.04 -1.26 -4.90 135.00 133.63 2dmh s PRO 137 Ca 0.19 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2dmh s PRO 137 Cb -0.11 -4.13 0.29 0.00 0.04 0.00 0.00 34.50 30.59 2dmh s PRO 137 CO 0.10 -1.69 1.66 0.77 0.04 0.00 0.00 177.00 177.88 2dmh h SER 138 N 11.99 -0.32 -3.74 6.66 0.02 -2.03 -3.40 113.55 122.75 2dmh h SER 138 Ca -0.32 0.16 -0.49 0.00 -0.84 0.00 0.00 61.79 60.29 2dmh h SER 138 Cb 1.15 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.97 2dmh h SER 138 CO 1.04 -0.13 0.13 -0.55 -1.14 0.00 0.00 176.83 176.17 2dmh s SER 139 N -5.23 6.62 0.00 3.07 0.15 -1.26 -5.35 113.70 111.70 2dmh s SER 139 Ca -0.14 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2dmh s SER 139 Cb 0.19 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2dmh s SER 139 CO 0.74 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.44