#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 6.58 -0.18 1.61 1.04 -1.26 -5.02 113.70 116.47 2dmh s SER 2 Ca 0.00 1.65 -0.17 0.00 0.48 0.00 0.00 55.95 57.91 2dmh s SER 2 Cb 0.00 -2.52 -0.13 0.00 0.10 0.00 0.00 66.02 63.47 2dmh s SER 2 CO 0.00 -0.61 0.08 -1.28 0.98 0.00 0.00 173.24 172.41 2dmh h SER 3 N 1.14 0.00 -1.21 7.02 0.87 -2.06 -3.48 113.55 115.83 2dmh h SER 3 Ca -0.47 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 59.73 2dmh h SER 3 Cb 1.19 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2dmh h SER 3 CO 0.61 1.19 -0.01 0.61 -0.53 0.00 0.00 176.83 178.70 2dmh n GLY 4 N 1.51 -3.62 3.72 5.77 0.00 -1.26 -4.90 105.19 106.41 2dmh n GLY 4 Ca -0.22 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.06 6.89 -0.60 1.61 0.01 -1.26 -4.94 113.70 113.35 2dmh s SER 5 Ca 0.06 2.26 0.02 0.00 1.31 0.00 0.00 55.95 59.59 2dmh s SER 5 Cb -0.01 -2.59 0.41 0.00 0.21 0.00 0.00 66.02 64.04 2dmh s SER 5 CO 0.05 -0.60 1.62 -1.54 0.41 0.00 0.00 173.24 173.18 2dmh n SER 6 N 3.83 6.30 -1.89 2.44 3.41 -1.26 -2.29 113.62 124.17 2dmh n SER 6 Ca 0.10 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2dmh n SER 6 Cb 0.43 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -0.62 -5.08 3.12 5.00 0.00 -1.26 -0.04 105.19 106.31 2dmh n GLY 7 Ca 0.50 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.16 0.25 -0.40 1.61 -2.45 -1.23 -1.80 119.30 113.13 2dmh s MET 8 Ca 0.00 0.65 -0.10 0.00 -1.25 0.00 0.00 55.69 54.99 2dmh s MET 8 Cb 0.00 -0.06 0.06 0.00 1.25 0.00 0.00 34.83 36.07 2dmh s MET 8 CO 0.00 -0.18 0.23 -1.17 1.05 0.00 0.00 175.02 174.95 2dmh s LEU 9 N 1.51 4.93 -0.12 4.11 2.96 -0.13 -3.54 118.68 128.41 2dmh s LEU 9 Ca -0.08 -1.29 -0.20 0.00 -0.22 0.00 0.00 54.13 52.35 2dmh s LEU 9 Cb -0.10 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2dmh s LEU 9 CO -0.10 -0.47 0.54 -0.13 -1.32 0.00 0.00 176.35 174.88 2dmh s ARG 10 N 1.47 4.35 -0.45 1.98 0.52 -1.01 -0.94 118.95 124.87 2dmh s ARG 10 Ca 0.02 0.56 0.04 0.00 -0.52 0.00 0.00 55.73 55.83 2dmh s ARG 10 Cb -0.21 -3.46 0.12 0.00 0.52 0.00 0.00 34.95 31.92 2dmh s ARG 10 CO 0.04 0.09 0.19 0.08 0.02 0.00 0.00 175.30 175.72 2dmh s VAL 11 N 0.81 2.27 0.14 3.52 1.01 -0.69 -1.07 120.40 126.40 2dmh s VAL 11 Ca 0.29 -2.88 -0.29 0.00 0.00 0.00 0.00 61.98 59.10 2dmh s VAL 11 Cb -0.16 -2.61 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 2dmh s VAL 11 CO 0.12 -0.75 0.93 -0.63 0.00 0.00 0.00 175.10 174.77 2dmh s ILE 12 N 0.19 4.40 -0.60 2.22 1.01 -0.94 -2.08 121.20 125.41 2dmh s ILE 12 Ca 0.15 2.02 -0.03 0.00 0.00 0.00 0.00 60.65 62.79 2dmh s ILE 12 Cb -0.24 -4.30 0.16 0.00 0.01 0.00 0.00 42.46 38.09 2dmh s ILE 12 CO -0.03 0.38 0.42 -0.69 0.00 0.00 0.00 174.94 175.02 2dmh s VAL 13 N -0.39 3.74 0.00 2.92 1.01 -1.01 -1.83 120.40 124.84 2dmh s VAL 13 Ca 0.44 -2.80 0.00 0.00 0.00 0.00 0.00 61.98 59.62 2dmh s VAL 13 Cb -0.24 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2dmh s VAL 13 CO 0.30 -0.86 0.74 -0.62 0.00 0.00 0.00 175.10 174.66 2dmh n GLU 14 N 3.68 0.00 -3.60 2.72 -0.58 -1.05 0.09 120.64 121.90 2dmh n GLU 14 Ca 0.06 0.36 -0.03 0.00 -0.42 0.00 0.00 57.16 57.14 2dmh n GLU 14 Cb 0.39 -1.24 -0.02 0.00 -0.57 0.00 0.00 31.44 30.00 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 -2.26 -0.12 0.32 1.62 1.04 -1.25 -0.25 113.70 112.80 2dmh s SER 15 Ca 0.00 -0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.49 2dmh s SER 15 Cb 0.00 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2dmh s SER 15 CO 0.00 -0.25 0.01 0.00 0.98 0.00 0.00 173.24 173.98 2dmh s ALA 16 N -2.42 3.19 0.23 5.32 0.00 -1.09 -1.84 121.76 125.15 2dmh s ALA 16 Ca 0.10 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2dmh s ALA 16 Cb 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2dmh s ALA 16 CO -0.04 0.13 0.64 -1.12 0.00 0.00 0.00 175.76 175.36 2dmh s SER 17 N -3.70 -0.31 -1.00 0.00 0.01 0.11 -3.06 113.70 105.74 2dmh s SER 17 Ca 0.34 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 2dmh s SER 17 Cb -0.02 0.66 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2dmh s SER 17 CO 0.19 -1.19 0.86 0.59 0.41 0.00 0.00 173.24 174.10 2dmh n ASN 18 N -0.41 -4.25 -4.78 2.44 3.02 -1.26 -1.09 115.26 108.92 2dmh n ASN 18 Ca -0.08 -0.43 -0.39 0.00 -0.03 0.00 0.00 54.58 53.65 2dmh n ASN 18 Cb 0.61 -3.99 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 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 -3.25 4.56 -0.31 2.41 1.01 -1.25 -2.92 121.20 121.44 2dmh s ILE 19 Ca 0.30 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 62.20 2dmh s ILE 19 Cb -0.13 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 2dmh s ILE 19 CO 0.56 0.50 1.67 -2.16 0.00 0.00 0.00 174.94 175.51 2dmh s PRO 20 N -0.89 3.53 0.70 2.79 0.04 -1.26 -4.93 135.00 134.98 2dmh s PRO 20 Ca 0.34 1.43 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2dmh s PRO 20 Cb -0.21 -4.11 0.18 0.00 0.04 0.00 0.00 34.50 30.39 2dmh s PRO 20 CO 0.23 -1.61 0.41 1.63 0.04 0.00 0.00 177.00 177.70 2dmh n LYS 21 N 8.11 -3.37 -3.88 4.56 5.02 -1.26 -4.84 118.16 122.50 2dmh n LYS 21 Ca 0.20 -0.69 -0.18 0.00 -2.02 0.00 0.00 58.31 55.63 2dmh n LYS 21 Cb 0.46 -0.90 -0.16 0.00 -0.02 0.00 0.00 35.03 34.41 2dmh n LYS 21 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2dmh s THR 22 N -1.51 0.15 0.23 -0.18 -4.23 -0.66 -4.94 115.64 104.50 2dmh s THR 22 Ca 0.32 0.13 0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2dmh s THR 22 Cb -0.06 -0.27 0.25 0.00 1.34 0.00 0.00 72.50 73.76 2dmh s THR 22 CO 0.26 0.16 1.03 1.17 -0.54 0.00 0.00 174.62 176.70 2dmh n LYS 23 N 4.36 -0.04 0.28 3.99 4.81 -1.26 0.11 118.16 130.41 2dmh n LYS 23 Ca -0.22 0.94 -0.15 0.00 -0.87 0.00 0.00 58.31 58.00 2dmh n LYS 23 Cb 0.50 -1.60 -0.08 0.00 0.02 0.00 0.00 35.03 33.87 2dmh n LYS 23 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 2dmh h PHE 24 N 0.00 -0.66 0.00 5.64 3.57 -2.04 -3.49 116.94 119.96 2dmh h PHE 24 Ca 0.49 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.98 2dmh h PHE 24 Cb 1.22 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.17 2dmh h PHE 24 CO -0.14 -0.34 0.00 0.41 -2.23 0.00 0.00 178.31 176.01 2dmh n GLY 25 N -0.82 1.11 3.23 2.40 0.00 0.31 -5.13 105.19 106.29 2dmh n GLY 25 Ca -0.11 0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 3.66 3.11 0.81 1.61 1.02 -1.26 -1.65 119.74 127.03 2dmh s LYS 26 Ca 0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.09 2dmh s LYS 26 Cb 0.00 -2.91 0.08 0.00 -0.52 0.00 0.00 37.83 34.48 2dmh s LYS 26 CO 0.00 -0.27 1.09 -1.25 -0.92 0.00 0.00 175.35 174.00 2dmh s PRO 27 N 1.39 1.92 -0.59 -1.68 0.04 -1.26 -4.39 135.00 130.41 2dmh s PRO 27 Ca 0.04 1.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 2dmh s PRO 27 Cb -0.15 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.67 2dmh s PRO 27 CO -0.06 -1.85 0.53 -0.51 0.04 0.00 0.00 177.00 175.15 2dmh s ASP 28 N -3.40 6.18 0.44 6.66 1.11 -1.26 -3.75 116.67 122.65 2dmh s ASP 28 Ca 0.62 -2.06 -0.24 0.00 0.18 0.00 0.00 52.55 51.05 2dmh s ASP 28 Cb -0.17 -2.15 -0.08 0.00 1.07 0.00 0.00 42.92 41.58 2dmh s ASP 28 CO 0.56 -0.74 1.17 -2.16 1.18 0.00 0.00 175.17 175.18 2dmh s PRO 29 N 1.16 3.85 -0.21 8.23 0.04 -1.26 -2.03 135.00 144.78 2dmh s PRO 29 Ca 0.07 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 2dmh s PRO 29 Cb -0.24 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 31.89 2dmh s PRO 29 CO -0.01 -0.49 0.48 -1.50 0.04 0.00 0.00 177.00 175.52 2dmh s ILE 30 N -1.50 -0.46 0.04 0.56 2.07 -1.14 -2.91 121.20 117.86 2dmh s ILE 30 Ca 0.62 0.11 -0.30 0.00 -1.41 0.00 0.00 60.65 59.66 2dmh s ILE 30 Cb -0.30 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 2dmh s ILE 30 CO 0.36 0.04 1.01 -0.69 -1.91 0.00 0.00 174.94 173.76 2dmh s VAL 31 N 2.21 4.62 -0.30 4.00 1.01 -1.26 -3.58 120.40 127.11 2dmh s VAL 31 Ca -0.05 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.89 2dmh s VAL 31 Cb -0.10 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.11 2dmh s VAL 31 CO -0.14 0.20 0.06 -0.44 0.00 0.00 0.00 175.10 174.77 2dmh s SER 32 N 0.71 4.10 -0.03 3.32 0.01 -0.85 -0.24 113.70 120.71 2dmh s SER 32 Ca 0.51 -1.63 -0.15 0.00 1.31 0.00 0.00 55.95 56.00 2dmh s SER 32 Cb -0.23 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 64.87 2dmh s SER 32 CO 0.29 -0.37 0.39 -0.69 0.41 0.00 0.00 173.24 173.27 2dmh s VAL 33 N 1.43 5.09 -0.13 3.43 1.01 0.26 -2.67 120.40 128.82 2dmh s VAL 33 Ca 0.07 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 62.84 2dmh s VAL 33 Cb -0.18 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.53 2dmh s VAL 33 CO -0.17 0.54 -0.06 -0.63 0.00 0.00 0.00 175.10 174.78 2dmh s ILE 34 N -0.78 1.04 -0.17 2.22 1.09 -1.18 -0.40 121.20 123.02 2dmh s ILE 34 Ca 0.23 -0.42 -0.13 0.00 -1.10 0.00 0.00 60.65 59.23 2dmh s ILE 34 Cb -0.16 -1.13 0.05 0.00 -1.06 0.00 0.00 42.46 40.16 2dmh s ILE 34 CO 0.12 0.26 0.44 0.12 -0.10 0.00 0.00 174.94 175.78 2dmh s PHE 35 N 1.69 -0.56 -1.24 3.97 5.36 -1.11 -3.69 117.98 122.40 2dmh s PHE 35 Ca 0.03 1.26 -0.03 0.00 -0.96 0.00 0.00 56.93 57.24 2dmh s PHE 35 Cb -0.14 0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.76 2dmh s PHE 35 CO -0.08 -0.29 0.79 1.63 -1.46 0.00 0.00 175.22 175.81 2dmh n LYS 36 N 3.49 -4.48 -3.99 10.12 4.76 -1.26 -1.64 118.16 125.17 2dmh n LYS 36 Ca -0.18 0.67 -0.32 0.00 -2.87 0.00 0.00 58.31 55.61 2dmh n LYS 36 Cb 0.56 -5.27 -0.01 0.00 -1.84 0.00 0.00 35.03 28.47 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 -3.05 -3.73 -3.78 4.39 8.00 -1.26 -4.93 116.55 112.19 2dmh n ASP 37 Ca -0.25 -0.83 -0.30 0.00 0.71 0.00 0.00 54.79 54.12 2dmh n ASP 37 Cb 0.66 -3.04 -0.15 0.00 -0.02 0.00 0.00 41.12 38.57 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 -6.68 0.85 -0.56 -1.24 2.56 -0.65 -5.09 118.70 107.89 2dmh s GLU 38 Ca 0.66 -1.16 -0.28 0.00 0.00 0.00 0.00 54.97 54.19 2dmh s GLU 38 Cb -0.36 -2.19 0.03 0.00 2.00 0.00 0.00 34.13 33.62 2dmh s GLU 38 CO 0.82 -0.96 1.15 0.21 -0.56 0.00 0.00 175.26 175.92 2dmh s LYS 39 N 1.52 3.53 -0.12 4.30 2.20 -1.26 -2.76 119.74 127.14 2dmh s LYS 39 Ca 0.09 0.23 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2dmh s LYS 39 Cb -0.18 -4.00 0.01 0.00 -1.51 0.00 0.00 37.83 32.16 2dmh s LYS 39 CO -0.22 -1.60 -0.18 0.15 -0.36 0.00 0.00 175.35 173.15 2dmh s LYS 40 N 4.72 2.49 0.33 4.03 1.02 0.47 -5.01 119.74 127.80 2dmh s LYS 40 Ca 0.42 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.84 2dmh s LYS 40 Cb -0.08 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 2dmh s LYS 40 CO 0.26 -0.05 -0.09 -1.59 -0.92 0.00 0.00 175.35 172.95 2dmh s LYS 41 N 0.94 1.78 0.50 1.68 0.00 -1.26 0.90 119.74 124.28 2dmh s LYS 41 Ca -0.07 -1.91 0.07 0.00 0.00 0.00 0.00 55.97 54.06 2dmh s LYS 41 Cb -0.15 -1.64 0.04 0.00 0.00 0.00 0.00 37.83 36.09 2dmh s LYS 41 CO -0.02 0.13 0.69 0.95 0.00 0.00 0.00 175.35 177.11 2dmh s THR 42 N -2.66 2.64 0.15 3.79 -4.23 0.66 -4.97 115.64 111.02 2dmh s THR 42 Ca 0.32 -0.93 -0.31 0.00 -1.18 0.00 0.00 61.69 59.59 2dmh s THR 42 Cb 0.02 -2.71 -0.09 0.00 1.34 0.00 0.00 72.50 71.07 2dmh s THR 42 CO 0.16 0.00 1.49 -1.59 -0.54 0.00 0.00 174.62 174.14 2dmh s LYS 43 N -4.55 4.26 0.23 3.99 -2.85 -1.26 -4.62 119.74 114.94 2dmh s LYS 43 Ca 0.58 2.25 -0.30 0.00 -1.00 0.00 0.00 55.97 57.51 2dmh s LYS 43 Cb -0.08 -3.18 -0.09 0.00 -2.06 0.00 0.00 37.83 32.41 2dmh s LYS 43 CO 0.36 -0.53 1.34 -1.59 0.10 0.00 0.00 175.35 175.03 2dmh s LYS 44 N 1.00 4.36 -0.26 1.78 -2.85 -1.26 -4.84 119.74 117.67 2dmh s LYS 44 Ca 0.67 2.14 -0.10 0.00 -1.00 0.00 0.00 55.97 57.68 2dmh s LYS 44 Cb -0.41 -3.15 -0.05 0.00 -2.06 0.00 0.00 37.83 32.16 2dmh s LYS 44 CO 0.32 -0.27 0.16 0.08 0.10 0.00 0.00 175.35 175.73 2dmh s VAL 45 N -0.14 5.13 1.01 1.79 1.01 -1.15 -5.05 120.40 123.00 2dmh s VAL 45 Ca 0.56 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.44 2dmh s VAL 45 Cb -0.38 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2dmh s VAL 45 CO 0.42 0.30 -0.55 0.47 0.00 0.00 0.00 175.10 175.73 2dmh n ASP 46 N 4.79 -2.68 -3.47 3.32 8.00 -1.26 -3.98 116.55 121.26 2dmh n ASP 46 Ca -0.15 -0.11 -0.35 0.00 0.71 0.00 0.00 54.79 54.89 2dmh n ASP 46 Cb 0.52 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.71 0.31 -3.64 -2.24 6.94 -1.26 -4.82 115.26 111.26 2dmh n ASN 47 Ca 0.00 0.23 -0.04 0.00 -0.02 0.00 0.00 54.58 54.75 2dmh n ASN 47 Cb 0.59 -0.72 -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 6.51 0.53 -0.01 -3.83 2.56 -1.25 -5.00 118.70 118.22 2dmh s GLU 48 Ca 1.03 0.93 -0.23 0.00 0.00 0.00 0.00 54.97 56.71 2dmh s GLU 48 Cb -1.03 0.12 -0.19 0.00 2.00 0.00 0.00 34.13 35.03 2dmh s GLU 48 CO 0.41 -0.11 1.20 -0.07 -0.56 0.00 0.00 175.26 176.12 2dmh h LEU 49 N 6.53 0.26 -7.41 2.70 4.07 -1.88 -3.38 115.31 116.20 2dmh h LEU 49 Ca -0.29 -0.61 -0.73 0.00 0.08 0.00 0.00 57.88 56.33 2dmh h LEU 49 Cb 1.21 -0.08 -0.33 0.00 1.08 0.00 0.00 40.66 42.54 2dmh h LEU 49 CO 0.18 0.83 0.05 0.20 -1.08 0.00 0.00 178.44 178.62 2dmh s ASN 50 N -6.16 6.36 0.96 -0.43 -0.87 -1.26 -3.90 114.94 109.65 2dmh s ASN 50 Ca -0.15 -3.62 -0.12 0.00 -1.57 0.00 0.00 52.86 47.40 2dmh s ASN 50 Cb 0.03 -2.00 0.17 0.00 -0.02 0.00 0.00 41.25 39.43 2dmh s ASN 50 CO 0.74 -0.23 1.09 -2.16 -2.57 0.00 0.00 177.10 173.97 2dmh s PRO 51 N -1.22 0.70 -0.23 -0.60 0.04 -1.17 -4.88 135.00 127.63 2dmh s PRO 51 Ca 0.28 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.91 2dmh s PRO 51 Cb -0.09 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.80 2dmh s PRO 51 CO -0.11 -2.57 0.26 0.08 0.04 0.00 0.00 177.00 174.70 2dmh s VAL 52 N -2.95 -0.38 -0.24 -0.36 1.01 -1.26 -2.68 120.40 113.54 2dmh s VAL 52 Ca 0.65 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 2dmh s VAL 52 Cb -0.18 -0.79 -0.16 0.00 0.00 0.00 0.00 36.38 35.25 2dmh s VAL 52 CO 0.57 -0.28 -0.04 0.79 0.00 0.00 0.00 175.10 176.15 2dmh n TRP 53 N 5.32 0.57 -4.10 5.22 8.01 -1.11 -4.98 117.44 126.37 2dmh n TRP 53 Ca -0.04 0.24 -0.34 0.00 -1.31 0.00 0.00 57.50 56.05 2dmh n TRP 53 Cb 0.49 -1.06 -0.01 0.00 -2.01 0.00 0.00 31.31 28.72 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 -4.31 -3.69 -4.40 -0.99 2.85 0.11 -4.95 115.26 99.87 2dmh n ASN 54 Ca -0.42 -0.93 -0.16 0.00 -0.11 0.00 0.00 54.58 52.96 2dmh n ASN 54 Cb 0.79 -3.19 0.05 0.00 1.24 0.00 0.00 39.78 38.67 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 -4.49 0.68 -3.76 1.20 -0.00 -1.12 -4.93 120.64 108.22 2dmh n GLU 55 Ca 0.04 -2.58 -0.23 0.00 -0.00 0.00 0.00 57.16 54.40 2dmh n GLU 55 Cb 0.51 -0.17 -0.18 0.00 -0.00 0.00 0.00 31.44 31.61 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 -1.97 0.36 0.23 3.84 1.01 -1.26 -2.41 121.20 120.99 2dmh s ILE 56 Ca 0.48 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.26 2dmh s ILE 56 Cb -0.04 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 2dmh s ILE 56 CO 0.31 0.23 0.37 -0.76 0.00 0.00 0.00 174.94 175.08 2dmh s LEU 57 N 1.98 4.27 -0.06 2.97 1.43 -0.88 -4.95 118.68 123.44 2dmh s LEU 57 Ca 0.05 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2dmh s LEU 57 Cb -0.13 -2.97 0.04 0.00 0.03 0.00 0.00 46.19 43.17 2dmh s LEU 57 CO -0.05 -0.07 0.13 -1.61 0.23 0.00 0.00 176.35 174.98 2dmh s GLU 58 N -3.77 0.07 -0.17 1.70 2.02 -1.26 -1.70 118.70 115.60 2dmh s GLU 58 Ca 0.35 0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.71 2dmh s GLU 58 Cb -0.10 -0.19 0.02 0.00 0.10 0.00 0.00 34.13 33.96 2dmh s GLU 58 CO 0.30 -0.17 -0.18 -0.06 0.02 0.00 0.00 175.26 175.17 2dmh s PHE 59 N 1.20 2.54 0.08 1.61 0.40 -0.12 -4.97 117.98 118.73 2dmh s PHE 59 Ca -0.09 -1.48 -0.30 0.00 -0.60 0.00 0.00 56.93 54.46 2dmh s PHE 59 Cb -0.12 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 2dmh s PHE 59 CO -0.06 -0.76 1.07 0.34 0.70 0.00 0.00 175.22 176.52 2dmh s ASP 60 N 1.37 7.28 -0.17 1.36 -1.08 -1.26 -0.95 116.67 123.22 2dmh s ASP 60 Ca 0.05 1.88 0.18 0.00 -0.52 0.00 0.00 52.55 54.14 2dmh s ASP 60 Cb -0.13 -2.58 -0.26 0.00 -1.46 0.00 0.00 42.92 38.49 2dmh s ASP 60 CO -0.12 -0.28 0.16 0.18 0.52 0.00 0.00 175.17 175.63 2dmh n LEU 61 N 3.39 0.05 -1.67 -1.34 4.77 -0.74 -4.96 117.00 116.49 2dmh n LEU 61 Ca 0.06 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 2dmh n LEU 61 Cb 0.48 0.41 0.02 0.00 -2.33 0.00 0.00 43.42 42.00 2dmh n LEU 61 CO 0.53 0.42 -0.00 0.54 -1.33 0.00 0.00 177.39 177.55 2dmh n ARG 62 N -2.70 -2.51 -0.21 3.23 1.74 0.02 -2.52 116.66 113.72 2dmh n ARG 62 Ca -0.28 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2dmh n ARG 62 Cb 1.07 -4.43 0.00 0.00 -1.02 0.00 0.00 32.46 28.08 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 -1.15 1.25 3.61 -0.13 0.00 0.95 -4.97 105.19 104.76 2dmh n GLY 63 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.73 4.34 0.74 -0.61 -1.09 -1.05 -4.77 121.20 116.03 2dmh s ILE 64 Ca 0.00 1.37 -0.12 0.00 -2.23 0.00 0.00 60.65 59.66 2dmh s ILE 64 Cb 0.00 -4.52 0.18 0.00 -1.58 0.00 0.00 42.46 36.54 2dmh s ILE 64 CO 0.00 -0.80 0.66 -0.81 -1.23 0.00 0.00 174.94 172.76 2dmh n PRO 65 N 7.43 -2.30 -4.11 2.79 -0.04 -1.26 -4.80 135.00 132.71 2dmh n PRO 65 Ca 0.11 -1.06 -0.31 0.00 -0.04 0.00 0.00 63.50 62.21 2dmh n PRO 65 Cb 0.48 -0.99 -0.07 0.00 -0.04 0.00 0.00 33.50 32.88 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 3.62 0.42 1.53 1.43 -1.26 -5.10 118.68 119.32 2dmh s LEU 66 Ca 0.43 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2dmh s LEU 66 Cb -0.04 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2dmh s LEU 66 CO 0.33 0.19 0.06 -0.62 0.23 0.00 0.00 176.35 176.53 2dmh s ASP 67 N -2.26 3.28 0.00 2.29 2.15 -1.26 -4.56 116.67 116.31 2dmh s ASP 67 Ca 0.27 -1.56 0.04 0.00 0.43 0.00 0.00 52.55 51.72 2dmh s ASP 67 Cb -0.12 0.25 0.17 0.00 -0.30 0.00 0.00 42.92 42.92 2dmh s ASP 67 CO 0.19 -0.77 1.05 0.49 -0.17 0.00 0.00 175.17 175.96 2dmh n PHE 68 N -0.98 0.00 1.03 -5.34 3.01 -1.26 -0.37 117.46 113.54 2dmh n PHE 68 Ca -0.09 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.48 2dmh n PHE 68 Cb 0.66 -0.41 0.01 0.00 -0.01 0.00 0.00 39.48 39.73 2dmh n PHE 68 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2dmh n SER 69 N -1.41 1.49 -4.77 4.37 3.41 -1.26 -4.58 113.62 110.87 2dmh n SER 69 Ca 0.01 -1.20 -0.41 0.00 -0.26 0.00 0.00 58.87 57.01 2dmh n SER 69 Cb 0.04 0.60 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 2dmh n SER 69 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dmh s SER 70 N -2.69 6.59 -0.12 4.04 1.04 0.50 -4.95 113.70 118.11 2dmh s SER 70 Ca 0.15 2.82 -0.30 0.00 0.48 0.00 0.00 55.95 59.10 2dmh s SER 70 Cb 0.17 -2.65 0.12 0.00 0.10 0.00 0.00 66.02 63.76 2dmh s SER 70 CO 0.68 -0.69 0.94 -0.44 0.98 0.00 0.00 173.24 174.70 2dmh s SER 71 N -0.17 -0.40 -0.09 7.02 0.01 -1.26 -1.01 113.70 117.80 2dmh s SER 71 Ca 0.53 0.34 -0.01 0.00 1.31 0.00 0.00 55.95 58.13 2dmh s SER 71 Cb -0.43 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.12 2dmh s SER 71 CO 0.54 -0.43 -0.05 -0.22 0.41 0.00 0.00 173.24 173.49 2dmh s LEU 72 N -1.43 3.24 -0.45 2.44 2.96 0.19 -4.88 118.68 120.76 2dmh s LEU 72 Ca -0.01 -0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.72 2dmh s LEU 72 Cb -0.01 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 45.01 2dmh s LEU 72 CO 0.00 0.32 0.35 -0.83 -1.32 0.00 0.00 176.35 174.87 2dmh s GLY 73 N -0.53 2.03 -0.45 7.98 0.00 -1.24 -0.20 107.32 114.91 2dmh s GLY 73 Ca 0.08 -1.96 -0.16 0.00 0.00 0.00 0.00 44.72 42.69 2dmh s GLY 73 CO 0.02 1.00 0.37 -0.42 0.00 0.00 0.00 173.10 174.07 2dmh s ILE 74 N 1.65 5.22 -0.19 0.90 -1.09 -0.52 -3.10 121.20 124.09 2dmh s ILE 74 Ca 0.04 -0.86 -0.01 0.00 -2.23 0.00 0.00 60.65 57.59 2dmh s ILE 74 Cb -0.22 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 2dmh s ILE 74 CO 0.08 -0.48 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.54 2dmh s ILE 75 N 1.72 2.64 -0.24 2.92 1.01 -1.09 -1.07 121.20 127.09 2dmh s ILE 75 Ca 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 2dmh s ILE 75 Cb -0.22 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.13 2dmh s ILE 75 CO 0.08 0.50 -0.08 -0.69 0.00 0.00 0.00 174.94 174.75 2dmh s VAL 76 N 1.21 2.80 0.33 2.92 1.01 -0.87 -2.01 120.40 125.79 2dmh s VAL 76 Ca 0.02 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.08 2dmh s VAL 76 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2dmh s VAL 76 CO -0.06 0.27 0.15 -0.54 0.00 0.00 0.00 175.10 174.92 2dmh s LYS 77 N 1.33 1.68 -0.49 2.72 1.02 -1.23 -2.50 119.74 122.27 2dmh s LYS 77 Ca 0.01 -1.97 -0.23 0.00 0.02 0.00 0.00 55.97 53.79 2dmh s LYS 77 Cb -0.16 -0.25 0.03 0.00 -0.52 0.00 0.00 37.83 36.93 2dmh s LYS 77 CO -0.06 -0.45 0.85 0.34 -0.92 0.00 0.00 175.35 175.12 2dmh s ASP 78 N -3.44 6.38 0.11 2.83 2.15 -1.26 -2.90 116.67 120.54 2dmh s ASP 78 Ca 0.33 -0.25 -0.21 0.00 0.43 0.00 0.00 52.55 52.86 2dmh s ASP 78 Cb 0.05 -2.40 -0.05 0.00 -0.30 0.00 0.00 42.92 40.22 2dmh s ASP 78 CO 0.17 -1.05 1.09 0.33 -0.17 0.00 0.00 175.17 175.54 2dmh n PHE 79 N 7.01 -0.29 -0.29 -5.34 -0.00 -0.86 0.12 117.46 117.81 2dmh n PHE 79 Ca 0.02 0.83 0.14 0.00 -0.00 0.00 0.00 57.45 58.44 2dmh n PHE 79 Cb 0.48 -0.54 0.27 0.00 -0.00 0.00 0.00 39.48 39.69 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 -4.71 -0.07 -3.44 -4.13 -0.58 -1.26 -3.87 120.64 102.58 2dmh n GLU 80 Ca 0.01 1.26 -0.38 0.00 -0.42 0.00 0.00 57.16 57.63 2dmh n GLU 80 Cb 0.17 -2.03 -0.09 0.00 -0.57 0.00 0.00 31.44 28.93 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 -5.75 5.21 -0.26 2.62 -4.23 0.33 -5.05 115.64 108.52 2dmh s THR 81 Ca -0.11 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2dmh s THR 81 Cb 0.25 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 70.50 2dmh s THR 81 CO 0.66 0.22 0.02 -0.63 -0.54 0.00 0.00 174.62 174.34 2dmh s ILE 82 N 1.70 1.28 0.00 2.99 1.01 -1.25 -4.40 121.20 122.52 2dmh s ILE 82 Ca 0.15 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2dmh s ILE 82 Cb -0.15 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.57 2dmh s ILE 82 CO 0.09 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.29 2dmh n GLY 83 N 4.73 2.91 3.13 6.18 0.00 -1.26 -5.04 105.19 115.84 2dmh n GLY 83 Ca -0.07 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.72 -0.74 1.61 1.13 -1.26 -4.73 117.38 111.66 2dmh n GLN 84 Ca 0.00 -0.50 -0.06 0.00 -1.94 0.00 0.00 57.00 54.50 2dmh n GLN 84 Cb 0.00 -1.52 -0.08 0.00 0.11 0.00 0.00 30.24 28.74 2dmh n GLN 84 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2dmh n ASN 85 N -0.93 5.27 -3.97 1.08 3.02 -1.26 -4.72 115.26 113.75 2dmh n ASN 85 Ca 0.02 -2.44 -0.31 0.00 -0.03 0.00 0.00 54.58 51.83 2dmh n ASN 85 Cb 0.53 -1.27 -0.15 0.00 -0.61 0.00 0.00 39.78 38.28 2dmh n ASN 85 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dmh s LYS 86 N 0.51 1.51 -0.06 3.52 -0.14 -1.26 -5.09 119.74 118.72 2dmh s LYS 86 Ca 0.33 -1.52 0.02 0.00 -1.36 0.00 0.00 55.97 53.44 2dmh s LYS 86 Cb 0.16 -2.86 0.01 0.00 -1.68 0.00 0.00 37.83 33.46 2dmh s LYS 86 CO 0.00 -0.83 -0.10 -1.17 -0.76 0.00 0.00 175.35 172.49 2dmh s LEU 87 N 1.13 1.58 -0.11 3.17 0.20 -1.26 -4.54 118.68 118.85 2dmh s LEU 87 Ca 0.05 -0.24 -0.04 0.00 0.69 0.00 0.00 54.13 54.58 2dmh s LEU 87 Cb -0.19 -0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 2dmh s LEU 87 CO -0.10 0.01 0.11 0.40 -0.29 0.00 0.00 176.35 176.48 2dmh h ILE 88 N 5.97 0.25 -2.13 6.68 2.04 -1.89 -3.48 117.51 124.95 2dmh h ILE 88 Ca -0.33 -1.19 0.21 0.00 1.00 0.00 0.00 64.86 64.55 2dmh h ILE 88 Cb 1.18 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 2dmh h ILE 88 CO 0.48 0.09 0.57 -0.83 0.00 0.00 0.00 178.15 178.46 2dmh s GLY 89 N -3.65 -0.26 -0.23 5.37 0.00 -1.04 -4.64 107.32 102.87 2dmh s GLY 89 Ca -0.03 0.24 -0.11 0.00 0.00 0.00 0.00 44.72 44.82 2dmh s GLY 89 CO 0.10 0.14 0.54 -0.51 0.00 0.00 0.00 173.10 173.37 2dmh s THR 90 N -3.03 -0.29 -0.07 0.90 -4.23 0.61 -2.06 115.64 107.47 2dmh s THR 90 Ca 0.13 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.73 2dmh s THR 90 Cb 0.00 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 73.05 2dmh s THR 90 CO 0.01 0.03 -0.13 0.00 -0.54 0.00 0.00 174.62 173.99 2dmh s ALA 91 N 1.95 1.34 -0.30 3.99 0.00 -0.23 -2.13 121.76 126.38 2dmh s ALA 91 Ca -0.08 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.30 2dmh s ALA 91 Cb -0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2dmh s ALA 91 CO -0.16 0.08 0.20 0.99 0.00 0.00 0.00 175.76 176.87 2dmh s THR 92 N 0.74 5.25 0.01 0.00 2.01 -1.26 -1.43 115.64 120.95 2dmh s THR 92 Ca -0.13 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.70 2dmh s THR 92 Cb -0.16 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 2dmh s THR 92 CO 0.03 0.16 0.49 -0.69 -0.69 0.00 0.00 174.62 173.92 2dmh s VAL 93 N 1.74 4.93 -0.39 3.82 1.01 0.71 -4.91 120.40 127.31 2dmh s VAL 93 Ca 0.07 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 2dmh s VAL 93 Cb -0.16 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2dmh s VAL 93 CO 0.10 0.52 0.25 0.00 0.00 0.00 0.00 175.10 175.97 2dmh s ALA 94 N -0.76 3.35 -2.07 5.51 0.00 -1.26 0.57 121.76 127.09 2dmh s ALA 94 Ca 0.27 -1.76 0.19 0.00 0.00 0.00 0.00 51.96 50.66 2dmh s ALA 94 Cb -0.18 -2.71 1.00 0.00 0.00 0.00 0.00 23.12 21.23 2dmh s ALA 94 CO 0.15 -1.44 1.66 1.28 0.00 0.00 0.00 175.76 177.41 2dmh n LEU 95 N 5.05 0.41 0.18 0.00 4.77 -0.18 -3.86 117.00 123.37 2dmh n LEU 95 Ca -0.11 -0.17 0.17 0.00 -0.03 0.00 0.00 56.01 55.87 2dmh n LEU 95 Cb 0.46 -0.03 0.80 0.00 -2.33 0.00 0.00 43.42 42.32 2dmh n LEU 95 CO 0.38 0.08 1.15 0.07 -1.33 0.00 0.00 177.39 177.75 2dmh h LYS 96 N 0.54 0.00 0.00 3.23 2.10 -1.71 0.11 116.57 120.84 2dmh h LYS 96 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 2dmh h LYS 96 Cb 0.12 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 2dmh h LYS 96 CO 0.00 0.00 -0.93 -0.44 -2.00 0.00 0.00 179.45 176.08 2dmh h ASP 97 N 0.00 0.00 1.03 7.07 3.32 -1.91 -3.22 116.42 122.71 2dmh h ASP 97 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2dmh h ASP 97 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2dmh h ASP 97 CO -0.00 0.93 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.83 2dmh h LEU 98 N 0.00 0.00 -9.01 1.55 3.38 -1.08 -3.46 115.31 106.69 2dmh h LEU 98 Ca -0.01 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.31 2dmh h LEU 98 Cb 1.66 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.54 2dmh h LEU 98 CO 0.12 0.56 -0.70 0.35 0.09 0.00 0.00 178.44 178.86 2dmh n THR 99 N -3.45 1.43 -2.48 0.22 -2.24 -0.79 -4.80 114.28 102.18 2dmh n THR 99 Ca 0.00 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2dmh n THR 99 Cb 0.67 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 2.13 -0.18 0.64 3.38 0.00 -1.26 -4.95 105.19 104.95 2dmh n GLY 100 Ca 0.15 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 1.38 1.65 -3.69 1.61 -0.08 -1.26 -4.78 116.55 111.37 2dmh n ASP 101 Ca 0.00 -3.43 -0.11 0.00 -1.51 0.00 0.00 54.79 49.73 2dmh n ASP 101 Cb 0.00 -0.47 -0.12 0.00 2.34 0.00 0.00 41.12 42.87 2dmh n ASP 101 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2dmh s GLN 102 N -2.60 0.28 -0.01 -0.67 -0.21 -1.26 -4.86 119.66 110.33 2dmh s GLN 102 Ca 0.35 0.74 -0.39 0.00 0.02 0.00 0.00 55.36 56.08 2dmh s GLN 102 Cb 0.35 -0.01 -0.20 0.00 1.00 0.00 0.00 33.01 34.16 2dmh s GLN 102 CO -0.07 -0.20 1.06 0.45 -2.12 0.00 0.00 175.29 174.41 2dmh n SER 103 N 4.61 0.02 -3.66 5.90 2.88 -1.26 -4.81 113.62 117.30 2dmh n SER 103 Ca -0.19 1.13 -0.17 0.00 -1.33 0.00 0.00 58.87 58.31 2dmh n SER 103 Cb 0.53 -0.90 -0.16 0.00 -0.75 0.00 0.00 64.21 62.93 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 0.07 0.03 -0.31 -1.46 3.52 -0.58 -5.00 118.95 115.23 2dmh s ARG 104 Ca 0.89 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 57.04 2dmh s ARG 104 Cb -1.24 -0.35 0.07 0.00 -1.56 0.00 0.00 34.95 31.87 2dmh s ARG 104 CO 0.56 -0.33 -0.01 -1.12 -0.81 0.00 0.00 175.30 173.59 2dmh s SER 105 N 2.28 4.71 -0.26 -2.12 0.01 -1.26 -0.91 113.70 116.14 2dmh s SER 105 Ca 0.03 -1.65 -0.08 0.00 1.31 0.00 0.00 55.95 55.56 2dmh s SER 105 Cb -0.12 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 2dmh s SER 105 CO -0.06 -0.29 0.10 -0.76 0.41 0.00 0.00 173.24 172.64 2dmh s LEU 106 N 1.08 3.65 -0.47 2.44 1.43 -1.04 -4.98 118.68 120.77 2dmh s LEU 106 Ca -0.01 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 2dmh s LEU 106 Cb -0.20 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2dmh s LEU 106 CO -0.05 -0.06 1.78 -2.16 0.23 0.00 0.00 176.35 176.09 2dmh s PRO 107 N 1.64 3.02 -0.61 1.29 0.04 -1.26 -3.66 135.00 135.46 2dmh s PRO 107 Ca 0.06 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.88 2dmh s PRO 107 Cb -0.16 -4.27 0.08 0.00 0.04 0.00 0.00 34.50 30.20 2dmh s PRO 107 CO 0.05 -2.24 0.81 0.71 0.04 0.00 0.00 177.00 176.37 2dmh s TYR 108 N 7.77 2.87 0.36 0.56 2.02 0.12 -4.99 117.35 126.05 2dmh s TYR 108 Ca 0.72 -0.71 0.05 0.00 -0.37 0.00 0.00 57.07 56.76 2dmh s TYR 108 Cb -0.17 -4.08 -0.07 0.00 -0.40 0.00 0.00 41.96 37.25 2dmh s TYR 108 CO 0.27 -1.41 0.04 0.15 -1.57 0.00 0.00 175.55 173.04 2dmh s LYS 109 N 3.28 1.77 -1.66 -0.62 1.02 -1.26 -0.10 119.74 122.17 2dmh s LYS 109 Ca 0.17 -1.99 0.00 0.00 0.02 0.00 0.00 55.97 54.17 2dmh s LYS 109 Cb -0.20 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 2dmh s LYS 109 CO 0.09 -0.14 0.00 1.28 -0.92 0.00 0.00 175.35 175.66 2dmh n LEU 110 N -0.79 -1.78 -4.69 3.17 4.77 -1.26 -4.93 117.00 111.49 2dmh n LEU 110 Ca -0.03 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 2dmh n LEU 110 Cb 0.67 -2.68 -0.03 0.00 -2.33 0.00 0.00 43.42 39.05 2dmh n LEU 110 CO 0.45 -0.31 1.13 -0.63 -1.33 0.00 0.00 177.39 176.70 2dmh s ILE 111 N -2.90 3.65 -0.54 -0.08 1.01 -1.26 -4.94 121.20 116.15 2dmh s ILE 111 Ca 0.00 1.05 -0.24 0.00 0.00 0.00 0.00 60.65 61.46 2dmh s ILE 111 Cb 0.00 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.84 2dmh s ILE 111 CO 0.00 -0.00 0.91 -0.44 0.00 0.00 0.00 174.94 175.41 2dmh s SER 112 N 1.90 6.34 0.37 3.58 0.01 -1.26 -3.61 113.70 121.03 2dmh s SER 112 Ca 0.65 -0.37 -0.25 0.00 1.31 0.00 0.00 55.95 57.28 2dmh s SER 112 Cb -0.32 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.39 2dmh s SER 112 CO 0.27 -1.18 1.05 -0.76 0.41 0.00 0.00 173.24 173.03 2dmh s LEU 113 N 3.81 4.23 0.30 2.44 1.43 -0.75 -4.80 118.68 125.35 2dmh s LEU 113 Ca 0.29 2.08 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 2dmh s LEU 113 Cb -0.13 -4.06 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 2dmh s LEU 113 CO 0.19 -0.40 -0.03 -0.76 0.23 0.00 0.00 176.35 175.57 2dmh s LEU 114 N -2.37 2.45 0.00 1.79 1.43 -0.91 -2.14 118.68 118.94 2dmh s LEU 114 Ca 0.55 -1.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2dmh s LEU 114 Cb -0.24 -0.61 0.06 0.00 0.03 0.00 0.00 46.19 45.44 2dmh s LEU 114 CO 0.30 -0.40 0.48 -0.46 0.23 0.00 0.00 176.35 176.50 2dmh n ASN 115 N -0.63 1.01 0.13 2.29 0.23 -1.05 0.22 115.26 117.46 2dmh n ASN 115 Ca -0.05 -1.77 0.18 0.00 -0.53 0.00 0.00 54.58 52.42 2dmh n ASN 115 Cb 0.64 -0.28 0.77 0.00 -2.08 0.00 0.00 39.78 38.83 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 0.00 -3.83 4.11 -1.93 0.38 114.58 113.31 2dmh h GLU 116 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2dmh h GLU 116 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2dmh h GLU 116 CO 0.21 0.00 -0.64 0.87 0.07 0.00 0.00 179.01 179.52 2dmh h LYS 117 N 0.00 0.00 0.00 1.06 1.79 -2.02 -3.47 116.57 113.93 2dmh h LYS 117 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 2dmh h LYS 117 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2dmh h LYS 117 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2dmh n GLY 118 N 1.22 0.87 3.88 3.86 0.00 0.13 -5.08 105.19 110.07 2dmh n GLY 118 Ca 0.02 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.19 3.80 -0.93 1.61 -1.52 -1.26 -4.73 119.66 115.44 2dmh s GLN 119 Ca 0.00 0.36 -0.25 0.00 -1.95 0.00 0.00 55.36 53.52 2dmh s GLN 119 Cb 0.00 -2.52 -0.09 0.00 -0.22 0.00 0.00 33.01 30.17 2dmh s GLN 119 CO 0.00 0.15 2.08 0.34 -0.25 0.00 0.00 175.29 177.61 2dmh s ASP 120 N -2.76 4.65 0.43 5.90 2.15 -1.26 -2.53 116.67 123.26 2dmh s ASP 120 Ca 0.49 -0.67 0.21 0.00 0.43 0.00 0.00 52.55 53.02 2dmh s ASP 120 Cb -0.11 -2.56 1.18 0.00 -0.30 0.00 0.00 42.92 41.13 2dmh s ASP 120 CO 0.25 -3.26 1.82 0.71 -0.17 0.00 0.00 175.17 174.52 2dmh h THR 121 N 7.16 0.57 0.00 1.71 1.35 -1.74 -3.45 112.91 118.50 2dmh h THR 121 Ca 0.08 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2dmh h THR 121 Cb 0.99 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2dmh h THR 121 CO 1.14 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 177.08 2dmh n GLY 122 N -1.54 1.13 3.28 5.82 0.00 -1.26 -4.78 105.19 107.85 2dmh n GLY 122 Ca 0.23 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 2.06 0.09 4.61 0.00 -1.15 -4.47 121.76 120.91 2dmh s ALA 123 Ca 0.00 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2dmh s ALA 123 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2dmh s ALA 123 CO 0.00 0.49 -0.24 0.95 0.00 0.00 0.00 175.76 176.96 2dmh s THR 124 N -0.50 1.95 -0.05 0.00 -4.23 -0.25 -1.81 115.64 110.75 2dmh s THR 124 Ca 0.07 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 2dmh s THR 124 Cb -0.10 -1.72 0.04 0.00 1.34 0.00 0.00 72.50 72.06 2dmh s THR 124 CO -0.00 0.12 0.12 -0.51 -0.54 0.00 0.00 174.62 173.81 2dmh s ILE 125 N -0.98 -0.05 -0.08 2.99 2.07 -1.24 -0.71 121.20 123.20 2dmh s ILE 125 Ca 0.10 0.19 -0.22 0.00 -1.41 0.00 0.00 60.65 59.30 2dmh s ILE 125 Cb -0.10 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 2dmh s ILE 125 CO 0.04 0.08 0.66 -0.62 -1.91 0.00 0.00 174.94 173.18 2dmh s ASP 126 N 1.13 6.93 -0.03 4.50 2.15 -0.77 -4.05 116.67 126.54 2dmh s ASP 126 Ca -0.09 1.12 -0.02 0.00 0.43 0.00 0.00 52.55 53.99 2dmh s ASP 126 Cb -0.12 -2.39 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2dmh s ASP 126 CO -0.05 -0.09 0.08 -0.76 -0.17 0.00 0.00 175.17 174.17 2dmh s LEU 127 N 0.77 1.51 -0.37 -1.34 1.43 0.86 -2.51 118.68 119.01 2dmh s LEU 127 Ca 0.35 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2dmh s LEU 127 Cb -0.17 0.22 0.11 0.00 0.03 0.00 0.00 46.19 46.37 2dmh s LEU 127 CO 0.17 -0.05 0.11 -0.69 0.23 0.00 0.00 176.35 176.12 2dmh s VAL 128 N 0.33 2.63 -0.08 -1.59 1.01 -0.76 0.13 120.40 122.06 2dmh s VAL 128 Ca -0.02 -2.32 -0.16 0.00 0.00 0.00 0.00 61.98 59.47 2dmh s VAL 128 Cb -0.04 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2dmh s VAL 128 CO -0.01 -0.64 0.42 -0.63 0.00 0.00 0.00 175.10 174.23 2dmh s ILE 129 N 0.90 5.15 -0.15 2.22 1.01 -1.24 -2.21 121.20 126.88 2dmh s ILE 129 Ca 0.11 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.59 2dmh s ILE 129 Cb -0.20 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.55 2dmh s ILE 129 CO -0.06 0.43 -0.12 -0.83 0.00 0.00 0.00 174.94 174.35 2dmh s GLY 130 N -0.01 1.11 0.12 6.18 0.00 -0.23 -2.51 107.32 111.98 2dmh s GLY 130 Ca 0.23 -0.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 2dmh s GLY 130 CO 0.10 0.61 0.46 -0.47 0.00 0.00 0.00 173.10 173.80 2dmh s TYR 131 N 1.50 3.56 -0.10 1.90 5.04 -0.09 -2.40 117.35 126.76 2dmh s TYR 131 Ca 0.04 0.85 -0.03 0.00 -2.44 0.00 0.00 57.07 55.48 2dmh s TYR 131 Cb -0.13 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 40.01 2dmh s TYR 131 CO -0.10 0.45 0.12 0.34 -1.34 0.00 0.00 175.55 175.03 2dmh s ASP 132 N -1.89 1.28 0.22 4.32 2.15 -1.23 -1.52 116.67 119.99 2dmh s ASP 132 Ca 0.37 -0.01 -0.30 0.00 0.43 0.00 0.00 52.55 53.04 2dmh s ASP 132 Cb -0.14 0.06 -0.09 0.00 -0.30 0.00 0.00 42.92 42.45 2dmh s ASP 132 CO 0.19 -0.28 1.29 -2.16 -0.17 0.00 0.00 175.17 174.04 2dmh s PRO 133 N 2.23 4.41 0.36 4.34 0.04 -1.26 -3.47 135.00 141.64 2dmh s PRO 133 Ca 0.04 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.86 2dmh s PRO 133 Cb -0.13 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 2dmh s PRO 133 CO -0.06 -0.21 1.21 -1.25 0.04 0.00 0.00 177.00 176.73 2dmh s PRO 134 N -0.41 4.25 -0.85 0.56 0.04 -1.26 -4.63 135.00 132.69 2dmh s PRO 134 Ca 0.55 1.97 -0.16 0.00 0.04 0.00 0.00 61.00 63.39 2dmh s PRO 134 Cb -0.36 -2.89 0.18 0.00 0.04 0.00 0.00 34.50 31.46 2dmh s PRO 134 CO 0.40 -0.19 0.89 -1.12 0.04 0.00 0.00 177.00 177.02 2dmh s SER 135 N -0.87 6.68 0.00 6.66 0.01 -0.97 -4.92 113.70 120.30 2dmh s SER 135 Ca 0.52 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 55.39 2dmh s SER 135 Cb -0.34 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2dmh s SER 135 CO 0.44 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2dmh n GLY 136 N 4.59 3.94 3.72 3.44 0.00 -1.26 -4.71 105.19 114.91 2dmh n GLY 136 Ca 0.16 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.72 1.22 0.66 1.61 0.04 -1.26 -5.04 135.00 129.50 2dmh s PRO 137 Ca 0.00 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 2dmh s PRO 137 Cb 0.00 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.72 2dmh s PRO 137 CO 0.00 -2.26 1.06 -1.12 0.04 0.00 0.00 177.00 174.71 2dmh s SER 138 N -3.43 5.84 -0.05 6.66 0.01 -1.26 -5.09 113.70 116.39 2dmh s SER 138 Ca 0.63 1.35 -0.02 0.00 1.31 0.00 0.00 55.95 59.22 2dmh s SER 138 Cb -0.18 -2.29 0.03 0.00 0.21 0.00 0.00 66.02 63.79 2dmh s SER 138 CO 0.57 -1.11 0.10 -0.94 0.41 0.00 0.00 173.24 172.27 2dmh s SER 139 N -4.19 -0.06 0.00 2.44 1.04 -1.26 -5.26 113.70 106.41 2dmh s SER 139 Ca 0.56 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2dmh s SER 139 Cb -0.11 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2dmh s SER 139 CO 0.53 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.25