#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmh n SER 2 N 0.00 6.56 -4.96 1.61 7.64 -1.26 -5.00 113.62 118.21 2dmh n SER 2 Ca 0.00 -3.77 -0.22 0.00 1.01 0.00 0.00 58.87 55.89 2dmh n SER 2 Cb 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2dmh n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmh s SER 3 N -2.38 5.97 0.00 6.43 0.15 -1.26 -5.09 113.70 117.52 2dmh s SER 3 Ca 0.60 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2dmh s SER 3 Cb 0.47 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2dmh s SER 3 CO 0.01 -0.54 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2dmh n GLY 4 N -1.90 -1.77 3.36 9.45 0.00 -1.26 -4.96 105.19 108.10 2dmh n GLY 4 Ca -0.01 -1.12 -0.46 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.33 6.84 -0.23 1.61 0.01 -1.24 -4.90 113.70 114.46 2dmh s SER 5 Ca 0.00 -2.74 -0.03 0.00 1.31 0.00 0.00 55.95 54.49 2dmh s SER 5 Cb 0.00 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 64.02 2dmh s SER 5 CO 0.00 -0.61 2.55 -1.20 0.41 0.00 0.00 173.24 174.39 2dmh n SER 6 N 4.25 6.01 -1.88 2.44 7.64 -1.26 -1.96 113.62 128.84 2dmh n SER 6 Ca 0.18 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.20 2dmh n SER 6 Cb 0.46 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 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 1.15 -5.07 3.19 0.23 0.00 -1.26 -0.25 105.19 103.18 2dmh n GLY 7 Ca 0.32 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.31 -0.36 1.61 -2.45 -1.24 -1.98 119.30 113.04 2dmh s MET 8 Ca 0.00 0.76 -0.13 0.00 -1.25 0.00 0.00 55.69 55.07 2dmh s MET 8 Cb 0.00 0.00 -0.00 0.00 1.25 0.00 0.00 34.83 36.08 2dmh s MET 8 CO 0.00 -0.19 0.24 -1.17 1.05 0.00 0.00 175.02 174.96 2dmh s LEU 9 N 1.65 4.63 -0.10 4.11 2.96 -0.99 -3.70 118.68 127.24 2dmh s LEU 9 Ca -0.07 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.10 2dmh s LEU 9 Cb -0.10 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2dmh s LEU 9 CO -0.11 -0.29 0.38 -0.13 -1.32 0.00 0.00 176.35 174.87 2dmh s ARG 10 N 1.69 4.15 -0.30 1.98 0.52 -0.94 -1.21 118.95 124.84 2dmh s ARG 10 Ca 0.05 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.57 2dmh s ARG 10 Cb -0.18 -3.36 0.09 0.00 0.52 0.00 0.00 34.95 32.02 2dmh s ARG 10 CO 0.10 0.36 0.03 0.08 0.02 0.00 0.00 175.30 175.89 2dmh s VAL 11 N 0.02 1.63 -0.17 3.52 1.01 0.67 -0.86 120.40 126.22 2dmh s VAL 11 Ca 0.21 -1.71 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 2dmh s VAL 11 Cb -0.15 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 2dmh s VAL 11 CO 0.09 -0.46 0.53 -0.63 0.00 0.00 0.00 175.10 174.62 2dmh s ILE 12 N 1.27 5.12 -0.62 2.22 1.01 -0.69 -1.16 121.20 128.34 2dmh s ILE 12 Ca 0.05 1.01 -0.13 0.00 0.00 0.00 0.00 60.65 61.59 2dmh s ILE 12 Cb -0.18 -3.86 0.16 0.00 0.01 0.00 0.00 42.46 38.59 2dmh s ILE 12 CO -0.13 0.22 0.54 -0.69 0.00 0.00 0.00 174.94 174.89 2dmh s VAL 13 N 1.29 4.98 0.00 2.92 1.01 -0.66 -1.32 120.40 128.62 2dmh s VAL 13 Ca 0.26 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.24 2dmh s VAL 13 Cb -0.15 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2dmh s VAL 13 CO 0.10 -0.90 0.74 -0.62 0.00 0.00 0.00 175.10 174.42 2dmh n GLU 14 N 4.62 0.00 -3.76 2.72 -0.58 -0.87 0.36 120.64 123.12 2dmh n GLU 14 Ca -0.02 0.25 0.02 0.00 -0.42 0.00 0.00 57.16 56.98 2dmh n GLU 14 Cb 0.42 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 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 -2.02 -0.03 0.27 1.62 1.04 -1.24 -0.60 113.70 112.74 2dmh s SER 15 Ca 0.00 -0.20 0.08 0.00 0.48 0.00 0.00 55.95 56.32 2dmh s SER 15 Cb 0.00 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.25 2dmh s SER 15 CO 0.00 -0.35 -0.11 0.00 0.98 0.00 0.00 173.24 173.76 2dmh s ALA 16 N -2.28 2.39 0.17 5.32 0.00 0.33 -1.17 121.76 126.52 2dmh s ALA 16 Ca 0.20 -1.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.12 2dmh s ALA 16 Cb 0.02 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.19 2dmh s ALA 16 CO -0.02 0.05 0.53 -1.12 0.00 0.00 0.00 175.76 175.20 2dmh s SER 17 N -3.44 -0.35 -0.92 0.00 0.01 0.32 -3.11 113.70 106.21 2dmh s SER 17 Ca 0.28 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 2dmh s SER 17 Cb 0.01 0.57 -0.00 0.00 0.21 0.00 0.00 66.02 66.81 2dmh s SER 17 CO 0.11 -1.00 0.76 0.59 0.41 0.00 0.00 173.24 174.12 2dmh n ASN 18 N -0.33 -2.15 -4.80 2.44 3.02 -1.26 -1.18 115.26 110.99 2dmh n ASN 18 Ca -0.13 -0.48 -0.37 0.00 -0.03 0.00 0.00 54.58 53.57 2dmh n ASN 18 Cb 0.63 -4.05 -0.06 0.00 -0.61 0.00 0.00 39.78 35.69 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 -3.28 5.22 -0.55 2.41 1.01 -1.25 -3.05 121.20 121.71 2dmh s ILE 19 Ca 0.01 0.64 -0.27 0.00 0.00 0.00 0.00 60.65 61.03 2dmh s ILE 19 Cb -0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2dmh s ILE 19 CO 0.56 0.51 1.82 -2.16 0.00 0.00 0.00 174.94 175.67 2dmh s PRO 20 N -0.44 2.81 1.16 2.79 0.04 -1.26 -4.90 135.00 135.20 2dmh s PRO 20 Ca 0.20 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.82 2dmh s PRO 20 Cb -0.14 -4.33 0.28 0.00 0.04 0.00 0.00 34.50 30.34 2dmh s PRO 20 CO 0.08 -2.50 1.20 -1.59 0.04 0.00 0.00 177.00 174.22 2dmh s LYS 21 N 6.66 -0.93 0.06 4.56 -2.85 -1.26 -4.93 119.74 121.06 2dmh s LYS 21 Ca 0.69 -0.31 0.03 0.00 -1.00 0.00 0.00 55.97 55.38 2dmh s LYS 21 Cb -0.14 -1.65 -0.03 0.00 -2.06 0.00 0.00 37.83 33.94 2dmh s LYS 21 CO 0.24 -3.48 -0.09 -0.08 0.10 0.00 0.00 175.35 172.05 2dmh s THR 22 N -3.34 0.69 0.63 3.79 -1.32 -0.88 -5.00 115.64 110.21 2dmh s THR 22 Ca 0.74 -1.36 0.21 0.00 -1.21 0.00 0.00 61.69 60.07 2dmh s THR 22 Cb -0.06 -0.98 0.26 0.00 -1.51 0.00 0.00 72.50 70.21 2dmh s THR 22 CO 0.55 -0.49 1.54 0.07 -2.21 0.00 0.00 174.62 174.08 2dmh h LYS 23 N 4.03 0.00 -1.09 7.08 5.09 -2.03 0.54 116.57 130.19 2dmh h LYS 23 Ca -0.36 0.00 -0.24 0.00 0.09 0.00 0.00 60.65 60.13 2dmh h LYS 23 Cb 1.19 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 33.38 2dmh h LYS 23 CO 0.47 0.00 0.31 0.34 -2.09 0.00 0.00 179.45 178.48 2dmh n PHE 24 N -3.06 1.39 -3.27 0.07 7.35 -1.26 -5.00 117.46 113.68 2dmh n PHE 24 Ca 0.06 -1.24 0.00 0.00 -0.76 0.00 0.00 57.45 55.51 2dmh n PHE 24 Cb 0.86 -0.63 0.00 0.00 0.35 0.00 0.00 39.48 40.06 2dmh n PHE 24 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2dmh n GLY 25 N -0.13 -1.07 3.69 7.13 0.00 0.19 -4.82 105.19 110.18 2dmh n GLY 25 Ca 0.27 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 2dmh n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmh s LYS 26 N 0.00 4.20 0.39 1.61 1.02 -1.26 -2.07 119.74 123.62 2dmh s LYS 26 Ca 0.00 0.16 -0.07 0.00 0.02 0.00 0.00 55.97 56.09 2dmh s LYS 26 Cb 0.00 -3.51 0.10 0.00 -0.52 0.00 0.00 37.83 33.90 2dmh s LYS 26 CO 0.00 0.04 0.34 -0.35 -0.92 0.00 0.00 175.35 174.47 2dmh n PRO 27 N 4.21 -1.70 -3.78 -1.68 -0.04 -1.26 -3.98 135.00 126.77 2dmh n PRO 27 Ca -0.09 -0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 62.47 2dmh n PRO 27 Cb 0.51 -0.52 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 2dmh n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dmh s ASP 28 N -2.44 5.03 0.56 3.54 1.01 -1.26 -3.21 116.67 119.91 2dmh s ASP 28 Ca 0.22 -2.77 -0.19 0.00 0.71 0.00 0.00 52.55 50.53 2dmh s ASP 28 Cb -0.02 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.06 2dmh s ASP 28 CO 0.17 -0.36 1.13 -2.16 0.21 0.00 0.00 175.17 174.16 2dmh s PRO 29 N 0.06 3.28 -0.24 8.23 0.04 -1.24 -1.76 135.00 143.38 2dmh s PRO 29 Ca 0.16 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 2dmh s PRO 29 Cb -0.22 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.40 2dmh s PRO 29 CO -0.03 -0.90 0.59 -1.50 0.04 0.00 0.00 177.00 175.20 2dmh s ILE 30 N -1.85 -0.01 0.14 0.56 2.07 -0.91 -2.22 121.20 118.99 2dmh s ILE 30 Ca 0.72 0.03 -0.26 0.00 -1.41 0.00 0.00 60.65 59.73 2dmh s ILE 30 Cb -0.23 -0.85 -0.07 0.00 0.13 0.00 0.00 42.46 41.43 2dmh s ILE 30 CO 0.29 0.01 0.80 -0.69 -1.91 0.00 0.00 174.94 173.45 2dmh s VAL 31 N 1.52 4.43 -0.31 4.00 1.01 -1.26 -2.82 120.40 126.97 2dmh s VAL 31 Ca -0.10 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 63.63 2dmh s VAL 31 Cb -0.06 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.25 2dmh s VAL 31 CO -0.17 0.47 0.11 -0.44 0.00 0.00 0.00 175.10 175.07 2dmh s SER 32 N -0.80 3.93 -0.01 3.32 0.01 0.11 -1.08 113.70 119.18 2dmh s SER 32 Ca 0.38 -1.62 -0.17 0.00 1.31 0.00 0.00 55.95 55.85 2dmh s SER 32 Cb -0.23 -0.78 -0.06 0.00 0.21 0.00 0.00 66.02 65.16 2dmh s SER 32 CO 0.26 -0.41 0.48 -0.69 0.41 0.00 0.00 173.24 173.29 2dmh s VAL 33 N 1.65 4.98 -0.08 3.43 1.01 0.22 -2.27 120.40 129.33 2dmh s VAL 33 Ca 0.10 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2dmh s VAL 33 Cb -0.17 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2dmh s VAL 33 CO -0.26 0.50 -0.07 -0.63 0.00 0.00 0.00 175.10 174.65 2dmh s ILE 34 N -0.64 0.85 -0.28 2.22 1.09 -1.02 -0.83 121.20 122.61 2dmh s ILE 34 Ca 0.26 -0.24 -0.21 0.00 -1.10 0.00 0.00 60.65 59.37 2dmh s ILE 34 Cb -0.17 -0.87 0.08 0.00 -1.06 0.00 0.00 42.46 40.44 2dmh s ILE 34 CO 0.14 0.32 0.75 0.12 -0.10 0.00 0.00 174.94 176.17 2dmh s PHE 35 N 1.35 -0.86 -1.12 3.97 5.36 -0.84 -3.33 117.98 122.52 2dmh s PHE 35 Ca -0.03 1.90 -0.04 0.00 -0.96 0.00 0.00 56.93 57.80 2dmh s PHE 35 Cb -0.14 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 2dmh s PHE 35 CO -0.03 -0.42 0.96 1.63 -1.46 0.00 0.00 175.22 175.89 2dmh n LYS 36 N 3.34 -6.39 -3.15 10.12 4.76 -1.26 -2.22 118.16 123.35 2dmh n LYS 36 Ca -0.16 0.74 -0.22 0.00 -2.87 0.00 0.00 58.31 55.79 2dmh n LYS 36 Cb 0.57 -5.46 0.02 0.00 -1.84 0.00 0.00 35.03 28.31 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 -2.66 -4.91 -3.96 4.39 8.00 -1.26 -4.96 116.55 111.19 2dmh n ASP 37 Ca -0.13 -0.31 -0.26 0.00 0.71 0.00 0.00 54.79 54.81 2dmh n ASP 37 Cb 0.60 -4.01 -0.17 0.00 -0.02 0.00 0.00 41.12 37.53 2dmh n ASP 37 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dmh s GLU 38 N -5.81 1.59 -0.25 -1.24 8.01 -0.94 -5.12 118.70 114.93 2dmh s GLU 38 Ca 0.33 -0.32 -0.10 0.00 0.01 0.00 0.00 54.97 54.89 2dmh s GLU 38 Cb -0.16 -1.49 -0.05 0.00 -4.31 0.00 0.00 34.13 28.12 2dmh s GLU 38 CO 0.41 -0.13 0.14 0.21 0.01 0.00 0.00 175.26 175.90 2dmh s LYS 39 N 1.21 3.95 -0.03 1.61 2.20 -1.26 -1.98 119.74 125.44 2dmh s LYS 39 Ca -0.04 -0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2dmh s LYS 39 Cb -0.14 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2dmh s LYS 39 CO -0.03 -0.04 0.04 0.15 -0.36 0.00 0.00 175.35 175.12 2dmh s LYS 40 N 1.30 -0.02 0.15 4.03 1.02 -0.01 -5.02 119.74 121.20 2dmh s LYS 40 Ca 0.07 0.25 0.09 0.00 0.02 0.00 0.00 55.97 56.39 2dmh s LYS 40 Cb -0.14 -0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 36.75 2dmh s LYS 40 CO 0.06 -0.23 -0.19 -1.59 -0.92 0.00 0.00 175.35 172.48 2dmh s LYS 41 N 1.49 1.25 0.60 1.68 0.00 -1.26 0.70 119.74 124.21 2dmh s LYS 41 Ca -0.04 -1.36 -0.06 0.00 0.00 0.00 0.00 55.97 54.51 2dmh s LYS 41 Cb -0.13 -1.35 0.02 0.00 0.00 0.00 0.00 37.83 36.37 2dmh s LYS 41 CO -0.03 0.28 0.91 0.95 0.00 0.00 0.00 175.35 177.46 2dmh s THR 42 N -1.88 3.39 -0.01 3.79 -4.23 -0.24 -4.99 115.64 111.48 2dmh s THR 42 Ca 0.14 -0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 2dmh s THR 42 Cb -0.07 -3.36 -0.08 0.00 1.34 0.00 0.00 72.50 70.34 2dmh s THR 42 CO 0.06 -0.36 1.90 -1.59 -0.54 0.00 0.00 174.62 174.09 2dmh s LYS 43 N -5.01 4.08 0.81 3.99 -2.85 -1.26 -4.53 119.74 114.97 2dmh s LYS 43 Ca 0.55 2.46 -0.15 0.00 -1.00 0.00 0.00 55.97 57.83 2dmh s LYS 43 Cb -0.11 -4.13 -0.03 0.00 -2.06 0.00 0.00 37.83 31.50 2dmh s LYS 43 CO 0.45 -1.01 0.31 0.36 0.10 0.00 0.00 175.35 175.56 2dmh n LYS 44 N 7.53 0.07 -5.17 1.78 2.85 -1.26 -4.92 118.16 119.04 2dmh n LYS 44 Ca 0.20 0.06 -0.32 0.00 -1.05 0.00 0.00 58.31 57.20 2dmh n LYS 44 Cb 0.42 -1.70 -0.17 0.00 -0.65 0.00 0.00 35.03 32.93 2dmh n LYS 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2dmh s VAL 45 N -2.07 2.15 1.20 0.58 1.01 -0.94 -5.03 120.40 117.29 2dmh s VAL 45 Ca 0.60 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2dmh s VAL 45 Cb -0.30 -1.83 0.24 0.00 0.00 0.00 0.00 36.38 34.49 2dmh s VAL 45 CO 0.64 0.56 0.50 0.47 0.00 0.00 0.00 175.10 177.27 2dmh n ASP 46 N 3.53 -3.02 -3.93 3.32 8.00 -1.26 -3.65 116.55 119.55 2dmh n ASP 46 Ca -0.19 -0.44 -0.33 0.00 0.71 0.00 0.00 54.79 54.54 2dmh n ASP 46 Cb 0.53 -0.95 -0.14 0.00 -0.02 0.00 0.00 41.12 40.54 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 -3.21 -0.00 -3.62 -2.24 0.23 -1.25 -4.75 115.26 100.42 2dmh n ASN 47 Ca 0.06 0.05 -0.04 0.00 -0.53 0.00 0.00 54.58 54.12 2dmh n ASN 47 Cb 0.52 -0.75 -0.06 0.00 -2.08 0.00 0.00 39.78 37.41 2dmh n ASN 47 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2dmh s GLU 48 N 7.56 0.58 0.05 -3.83 2.56 -1.20 -4.87 118.70 119.55 2dmh s GLU 48 Ca 1.18 1.12 -0.20 0.00 0.00 0.00 0.00 54.97 57.08 2dmh s GLU 48 Cb -1.04 0.32 -0.13 0.00 2.00 0.00 0.00 34.13 35.28 2dmh s GLU 48 CO 0.44 -0.14 1.38 -0.07 -0.56 0.00 0.00 175.26 176.31 2dmh h LEU 49 N 7.09 0.38 -7.45 2.70 4.07 -1.88 -3.37 115.31 116.85 2dmh h LEU 49 Ca -0.26 -0.44 -0.74 0.00 0.08 0.00 0.00 57.88 56.53 2dmh h LEU 49 Cb 1.18 -0.11 -0.33 0.00 1.08 0.00 0.00 40.66 42.49 2dmh h LEU 49 CO 0.15 0.74 0.03 0.20 -1.08 0.00 0.00 178.44 178.48 2dmh s ASN 50 N -6.07 6.32 0.36 -0.43 0.02 -1.26 -3.95 114.94 109.93 2dmh s ASN 50 Ca -0.14 -3.52 -0.27 0.00 -1.02 0.00 0.00 52.86 47.91 2dmh s ASN 50 Cb 0.06 -2.00 -0.09 0.00 0.02 0.00 0.00 41.25 39.23 2dmh s ASN 50 CO 0.75 -0.26 1.21 -2.16 0.02 0.00 0.00 177.10 176.66 2dmh s PRO 51 N -1.07 4.25 -0.26 -0.60 0.04 -1.18 -4.77 135.00 131.41 2dmh s PRO 51 Ca 0.26 1.97 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2dmh s PRO 51 Cb -0.10 -2.90 0.06 0.00 0.04 0.00 0.00 34.50 31.61 2dmh s PRO 51 CO -0.10 -0.19 -0.07 0.08 0.04 0.00 0.00 177.00 176.76 2dmh s VAL 52 N -1.27 1.96 -0.19 -0.36 1.01 -1.26 -0.51 120.40 119.77 2dmh s VAL 52 Ca 0.52 -1.57 -0.15 0.00 0.00 0.00 0.00 61.98 60.78 2dmh s VAL 52 Cb -0.34 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 2dmh s VAL 52 CO 0.44 -0.12 -0.14 0.79 0.00 0.00 0.00 175.10 176.07 2dmh n TRP 53 N 4.50 0.60 -3.67 5.22 8.01 -1.01 -4.99 117.44 126.09 2dmh n TRP 53 Ca -0.11 0.26 -0.27 0.00 -1.31 0.00 0.00 57.50 56.07 2dmh n TRP 53 Cb 0.43 -0.84 0.05 0.00 -2.01 0.00 0.00 31.31 28.93 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 -4.47 -5.51 -4.92 -0.99 5.03 0.16 -4.98 115.26 99.57 2dmh n ASN 54 Ca -0.24 -0.61 -0.20 0.00 0.87 0.00 0.00 54.58 54.40 2dmh n ASN 54 Cb 0.54 -4.38 -0.01 0.00 -1.02 0.00 0.00 39.78 34.91 2dmh n ASN 54 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2dmh s GLU 55 N -6.38 2.55 -0.07 3.52 -1.05 -1.09 -4.93 118.70 111.24 2dmh s GLU 55 Ca 0.59 -1.53 0.04 0.00 -0.15 0.00 0.00 54.97 53.91 2dmh s GLU 55 Cb -0.28 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 30.96 2dmh s GLU 55 CO 0.72 -0.31 -0.19 0.42 0.95 0.00 0.00 175.26 176.85 2dmh s ILE 56 N -2.49 1.66 -0.00 1.83 1.01 -1.26 -1.65 121.20 120.29 2dmh s ILE 56 Ca 0.49 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.39 2dmh s ILE 56 Cb -0.05 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 2dmh s ILE 56 CO 0.29 0.47 -0.14 -0.76 0.00 0.00 0.00 174.94 174.80 2dmh s LEU 57 N 0.29 2.78 -0.07 2.97 1.43 -0.31 -4.97 118.68 120.80 2dmh s LEU 57 Ca -0.12 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2dmh s LEU 57 Cb -0.15 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2dmh s LEU 57 CO 0.05 0.29 -0.17 -1.61 0.23 0.00 0.00 176.35 175.15 2dmh s GLU 58 N -1.18 2.16 0.14 1.70 2.02 -1.26 -0.24 118.70 122.06 2dmh s GLU 58 Ca 0.14 -0.59 0.10 0.00 0.02 0.00 0.00 54.97 54.64 2dmh s GLU 58 Cb -0.11 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 2dmh s GLU 58 CO 0.04 0.10 -0.22 -0.06 0.02 0.00 0.00 175.26 175.14 2dmh s PHE 59 N 0.49 2.41 -0.04 1.61 0.08 -0.35 -4.99 117.98 117.19 2dmh s PHE 59 Ca -0.15 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 2dmh s PHE 59 Cb -0.16 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.98 2dmh s PHE 59 CO 0.05 0.41 0.39 0.16 -0.10 0.00 0.00 175.22 176.13 2dmh s ASP 60 N -2.29 6.73 -0.12 1.36 1.47 -1.26 -2.36 116.67 120.19 2dmh s ASP 60 Ca 0.18 0.86 0.11 0.00 1.18 0.00 0.00 52.55 54.88 2dmh s ASP 60 Cb -0.10 -2.24 -0.15 0.00 -0.34 0.00 0.00 42.92 40.09 2dmh s ASP 60 CO 0.09 0.25 0.05 0.18 0.68 0.00 0.00 175.17 176.42 2dmh n LEU 61 N 2.33 0.00 -2.41 2.11 4.77 -0.84 -4.89 117.00 118.07 2dmh n LEU 61 Ca -0.13 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.69 2dmh n LEU 61 Cb 0.52 0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.94 2dmh n LEU 61 CO 0.38 0.29 0.09 0.54 -1.33 0.00 0.00 177.39 177.36 2dmh n ARG 62 N -2.43 -4.53 -0.94 3.23 1.74 -0.47 -2.13 116.66 111.12 2dmh n ARG 62 Ca -0.19 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2dmh n ARG 62 Cb 0.88 -4.86 0.00 0.00 -1.02 0.00 0.00 32.46 27.45 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 -1.43 0.75 3.51 -0.13 0.00 0.65 -4.98 105.19 103.57 2dmh n GLY 63 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.95 4.92 1.21 -0.61 -1.09 -0.90 -4.81 121.20 116.98 2dmh s ILE 64 Ca 0.00 0.02 -0.19 0.00 -2.23 0.00 0.00 60.65 58.25 2dmh s ILE 64 Cb 0.00 -4.13 0.29 0.00 -1.58 0.00 0.00 42.46 37.04 2dmh s ILE 64 CO 0.00 -0.49 1.11 -2.16 -1.23 0.00 0.00 174.94 172.17 2dmh s PRO 65 N 2.57 -1.29 0.16 2.79 0.04 -1.26 -4.80 135.00 133.21 2dmh s PRO 65 Ca 0.19 -0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.14 2dmh s PRO 65 Cb -0.15 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 2dmh s PRO 65 CO 0.17 -3.75 0.34 -0.51 0.04 0.00 0.00 177.00 173.29 2dmh s LEU 66 N -6.96 4.27 0.35 -3.56 1.43 -1.26 -5.10 118.68 107.85 2dmh s LEU 66 Ca 0.71 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 54.21 2dmh s LEU 66 Cb -0.09 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.99 2dmh s LEU 66 CO 0.56 0.02 0.14 -1.81 0.23 0.00 0.00 176.35 175.49 2dmh s ASP 67 N -3.00 2.10 0.34 2.29 1.11 -1.26 -4.69 116.67 113.56 2dmh s ASP 67 Ca 0.37 -1.59 0.05 0.00 0.18 0.00 0.00 52.55 51.57 2dmh s ASP 67 Cb -0.11 0.38 0.63 0.00 1.07 0.00 0.00 42.92 44.88 2dmh s ASP 67 CO 0.28 -0.88 1.89 -0.26 1.18 0.00 0.00 175.17 177.38 2dmh h PHE 68 N 2.04 0.51 0.00 4.23 0.04 -1.90 -1.45 116.94 120.42 2dmh h PHE 68 Ca -0.35 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.37 2dmh h PHE 68 Cb 1.26 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.26 2dmh h PHE 68 CO 1.17 0.51 0.00 0.43 -0.60 0.00 0.00 178.31 179.82 2dmh n SER 69 N -4.29 0.21 -4.72 2.17 7.64 -1.26 -4.39 113.62 108.99 2dmh n SER 69 Ca 0.01 0.52 -0.42 0.00 1.01 0.00 0.00 58.87 60.00 2dmh n SER 69 Cb 0.24 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 2dmh n SER 69 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmh s SER 70 N -3.40 7.41 0.22 6.43 0.01 -0.55 -5.01 113.70 118.82 2dmh s SER 70 Ca 0.12 1.71 -0.09 0.00 1.31 0.00 0.00 55.95 59.00 2dmh s SER 70 Cb 0.17 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 2dmh s SER 70 CO 0.53 -0.20 0.36 -0.44 0.41 0.00 0.00 173.24 173.90 2dmh s SER 71 N 0.67 -0.01 -0.06 2.44 0.01 -1.26 -1.45 113.70 114.03 2dmh s SER 71 Ca 0.50 -1.03 0.04 0.00 1.31 0.00 0.00 55.95 56.77 2dmh s SER 71 Cb -0.22 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 2dmh s SER 71 CO 0.29 -1.03 -0.18 -0.22 0.41 0.00 0.00 173.24 172.51 2dmh s LEU 72 N -3.05 2.49 -0.34 2.44 2.96 -0.25 -4.87 118.68 118.06 2dmh s LEU 72 Ca 0.26 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 2dmh s LEU 72 Cb 0.02 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2dmh s LEU 72 CO 0.08 0.29 0.24 -0.83 -1.32 0.00 0.00 176.35 174.81 2dmh s GLY 73 N -0.41 1.96 -0.32 7.98 0.00 -1.21 -1.41 107.32 113.91 2dmh s GLY 73 Ca 0.04 -1.39 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 2dmh s GLY 73 CO 0.02 0.77 0.10 -0.42 0.00 0.00 0.00 173.10 173.57 2dmh s ILE 74 N 1.72 3.90 -0.02 0.90 -1.09 0.50 -2.43 121.20 124.68 2dmh s ILE 74 Ca 0.06 -0.91 0.06 0.00 -2.23 0.00 0.00 60.65 57.64 2dmh s ILE 74 Cb -0.17 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.57 2dmh s ILE 74 CO 0.10 -0.05 -0.21 -0.63 -1.23 0.00 0.00 174.94 172.92 2dmh s ILE 75 N 1.46 2.52 -0.21 2.92 1.01 -0.96 0.01 121.20 127.95 2dmh s ILE 75 Ca 0.01 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2dmh s ILE 75 Cb -0.18 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.38 2dmh s ILE 75 CO 0.03 0.56 -0.12 -0.69 0.00 0.00 0.00 174.94 174.72 2dmh s VAL 76 N -0.69 1.79 0.47 2.92 1.01 0.43 -0.71 120.40 125.61 2dmh s VAL 76 Ca 0.11 -1.12 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2dmh s VAL 76 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2dmh s VAL 76 CO 0.00 0.17 0.03 -0.54 0.00 0.00 0.00 175.10 174.76 2dmh s LYS 77 N 1.33 2.10 -0.44 2.72 1.02 -1.13 -2.02 119.74 123.32 2dmh s LYS 77 Ca -0.02 -2.31 -0.13 0.00 0.02 0.00 0.00 55.97 53.53 2dmh s LYS 77 Cb -0.17 -1.36 0.06 0.00 -0.52 0.00 0.00 37.83 35.85 2dmh s LYS 77 CO -0.08 -0.33 0.33 -0.51 -0.92 0.00 0.00 175.35 173.84 2dmh s ASP 78 N -3.79 5.98 0.36 2.83 1.01 -1.26 -2.13 116.67 119.66 2dmh s ASP 78 Ca 0.14 -1.30 0.26 0.00 0.71 0.00 0.00 52.55 52.37 2dmh s ASP 78 Cb 0.03 -2.12 1.21 0.00 1.01 0.00 0.00 42.92 43.06 2dmh s ASP 78 CO 0.08 -0.57 1.27 0.33 0.21 0.00 0.00 175.17 176.48 2dmh n PHE 79 N 5.11 0.57 -0.15 4.23 7.35 -0.72 0.98 117.46 134.83 2dmh n PHE 79 Ca -0.12 0.57 -0.04 0.00 -0.76 0.00 0.00 57.45 57.10 2dmh n PHE 79 Cb 0.44 -0.98 0.03 0.00 0.35 0.00 0.00 39.48 39.31 2dmh n PHE 79 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2dmh h GLU 80 N 0.00 -0.06 -4.85 -4.13 5.08 -1.92 -3.40 114.58 105.30 2dmh h GLU 80 Ca 0.71 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.57 2dmh h GLU 80 Cb 2.31 0.01 -0.32 0.00 0.50 0.00 0.00 28.75 31.25 2dmh h GLU 80 CO -0.38 -0.04 -0.81 -0.08 -1.00 0.00 0.00 179.01 176.70 2dmh s THR 81 N -6.18 1.14 0.05 1.13 -1.32 0.28 -5.04 115.64 105.70 2dmh s THR 81 Ca -0.14 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 2dmh s THR 81 Cb 0.16 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 2dmh s THR 81 CO 0.71 0.34 0.00 -0.38 -2.21 0.00 0.00 174.62 173.08 2dmh n ILE 82 N 3.40 0.21 -0.24 5.08 5.41 -1.26 -4.09 119.36 127.87 2dmh n ILE 82 Ca -0.20 0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2dmh n ILE 82 Cb 0.53 -0.75 0.07 0.00 -0.71 0.00 0.00 39.64 38.79 2dmh n ILE 82 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2dmh h GLY 83 N 0.00 0.45 -0.99 7.39 0.00 -1.97 -3.42 103.07 104.53 2dmh h GLY 83 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 47.33 47.35 2dmh h GLY 83 CO 0.00 -0.26 -0.15 -1.06 0.00 0.00 0.00 176.54 175.07 2dmh n GLN 84 N -5.47 -3.00 -2.54 4.80 1.13 -1.26 -4.83 117.38 106.22 2dmh n GLN 84 Ca 0.09 -0.89 -0.43 0.00 -1.94 0.00 0.00 57.00 53.83 2dmh n GLN 84 Cb 0.36 -1.57 0.01 0.00 0.11 0.00 0.00 30.24 29.15 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 -2.42 5.41 -4.39 1.08 3.02 -1.26 -4.96 115.26 111.74 2dmh n ASN 85 Ca 0.08 -3.17 -0.24 0.00 -0.03 0.00 0.00 54.58 51.22 2dmh n ASN 85 Cb 0.38 -1.43 -0.11 0.00 -0.61 0.00 0.00 39.78 38.00 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 -0.31 1.43 -0.16 3.52 2.47 -1.26 -5.15 119.74 120.27 2dmh s LYS 86 Ca 0.38 -1.49 -0.30 0.00 -1.56 0.00 0.00 55.97 52.99 2dmh s LYS 86 Cb 0.08 -1.62 0.13 0.00 -1.46 0.00 0.00 37.83 34.96 2dmh s LYS 86 CO 0.03 0.34 1.04 -1.17 0.16 0.00 0.00 175.35 175.74 2dmh s LEU 87 N -2.73 -0.32 -0.11 5.43 2.96 -1.26 -4.91 118.68 117.74 2dmh s LEU 87 Ca 0.19 0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 2dmh s LEU 87 Cb -0.07 1.76 -0.05 0.00 0.50 0.00 0.00 46.19 48.34 2dmh s LEU 87 CO 0.09 -0.32 -0.13 -0.38 -1.32 0.00 0.00 176.35 174.29 2dmh n ILE 88 N 0.60 0.59 0.00 6.68 5.41 -0.86 -4.98 119.36 126.80 2dmh n ILE 88 Ca -0.08 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.50 2dmh n ILE 88 Cb 0.58 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 2dmh n ILE 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dmh n GLY 89 N 2.49 0.92 3.17 7.39 0.00 -1.07 -4.76 105.19 113.33 2dmh n GLY 89 Ca -0.20 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 0.49 -0.25 2.61 -4.23 0.17 -0.43 115.64 112.01 2dmh s THR 90 Ca 0.00 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 58.34 2dmh s THR 90 Cb 0.00 -1.81 0.08 0.00 1.34 0.00 0.00 72.50 72.10 2dmh s THR 90 CO 0.00 -0.74 0.75 0.00 -0.54 0.00 0.00 174.62 174.09 2dmh s ALA 91 N -3.76 -1.80 -0.19 3.99 0.00 0.10 -0.17 121.76 119.93 2dmh s ALA 91 Ca 0.16 1.94 -0.02 0.00 0.00 0.00 0.00 51.96 54.03 2dmh s ALA 91 Cb 0.06 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 2dmh s ALA 91 CO -0.03 -0.33 -0.09 0.99 0.00 0.00 0.00 175.76 176.29 2dmh s THR 92 N 0.19 3.05 -0.38 0.00 2.01 -1.26 -0.37 115.64 118.87 2dmh s THR 92 Ca -0.01 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.24 2dmh s THR 92 Cb -0.04 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.14 2dmh s THR 92 CO 0.01 0.47 0.26 -0.69 -0.69 0.00 0.00 174.62 173.98 2dmh s VAL 93 N 1.15 5.02 -0.15 3.82 1.01 -0.50 -4.94 120.40 125.81 2dmh s VAL 93 Ca 0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2dmh s VAL 93 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2dmh s VAL 93 CO -0.03 -0.23 1.62 0.00 0.00 0.00 0.00 175.10 176.46 2dmh s ALA 94 N 1.64 3.43 -2.00 5.51 0.00 -1.26 -1.10 121.76 127.98 2dmh s ALA 94 Ca 0.04 0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.72 2dmh s ALA 94 Cb -0.19 -3.80 0.36 0.00 0.00 0.00 0.00 23.12 19.50 2dmh s ALA 94 CO 0.09 -1.69 1.10 1.28 0.00 0.00 0.00 175.76 176.54 2dmh n LEU 95 N 7.85 0.00 0.00 0.00 4.77 -0.53 -3.56 117.00 125.53 2dmh n LEU 95 Ca 0.18 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 2dmh n LEU 95 Cb 0.44 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.71 2dmh n LEU 95 CO 0.63 0.00 0.60 2.29 -1.33 0.00 0.00 177.39 179.58 2dmh n LYS 96 N -0.61 0.03 0.00 3.23 2.85 -1.25 -1.74 118.16 120.68 2dmh n LYS 96 Ca 0.05 0.32 -0.13 0.00 -1.05 0.00 0.00 58.31 57.50 2dmh n LYS 96 Cb 0.02 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.76 2dmh n LYS 96 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2dmh h ASP 97 N 0.00 0.18 1.61 -5.58 5.19 -1.92 -3.34 116.42 112.55 2dmh h ASP 97 Ca 0.00 -0.35 -0.05 0.00 -0.62 0.00 0.00 57.03 56.01 2dmh h ASP 97 Cb 0.12 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2dmh h ASP 97 CO 0.00 1.31 -0.40 -0.07 -3.12 0.00 0.00 179.24 176.96 2dmh h LEU 98 N 0.03 0.00 -9.14 1.55 3.38 -1.62 -3.47 115.31 106.03 2dmh h LEU 98 Ca -0.30 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.00 2dmh h LEU 98 Cb 2.01 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.86 2dmh h LEU 98 CO 0.10 0.23 -0.21 0.35 0.09 0.00 0.00 178.44 179.00 2dmh n THR 99 N -3.08 1.58 -4.00 0.22 -2.24 -0.94 -4.61 114.28 101.20 2dmh n THR 99 Ca 0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2dmh n THR 99 Cb 0.63 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2dmh n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmh n GLY 100 N 1.78 -0.69 1.89 3.38 0.00 -1.26 -4.98 105.19 105.31 2dmh n GLY 100 Ca 0.16 -1.14 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 0.67 4.03 -3.64 1.61 8.00 -1.26 -4.93 116.55 121.03 2dmh n ASP 101 Ca 0.00 -3.55 -0.04 0.00 0.71 0.00 0.00 54.79 51.90 2dmh n ASP 101 Cb 0.00 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.65 2dmh n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmh s GLN 102 N -3.49 0.26 -0.23 -1.24 -2.07 -1.26 -4.98 119.66 106.65 2dmh s GLN 102 Ca 0.46 0.34 -0.32 0.00 -1.82 0.00 0.00 55.36 54.02 2dmh s GLN 102 Cb 0.39 0.11 -0.14 0.00 -1.09 0.00 0.00 33.01 32.28 2dmh s GLN 102 CO 0.01 -0.04 1.01 0.45 -1.32 0.00 0.00 175.29 175.40 2dmh n SER 103 N 2.27 0.55 -3.73 12.60 2.88 -1.26 -4.83 113.62 122.10 2dmh n SER 103 Ca -0.13 0.84 -0.23 0.00 -1.33 0.00 0.00 58.87 58.02 2dmh n SER 103 Cb 0.57 -0.64 -0.17 0.00 -0.75 0.00 0.00 64.21 63.21 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 1.38 0.42 -0.30 -1.46 3.52 -0.88 -4.97 118.95 116.67 2dmh s ARG 104 Ca 0.71 0.07 -0.00 0.00 -0.13 0.00 0.00 55.73 56.38 2dmh s ARG 104 Cb -1.01 -1.13 0.06 0.00 -1.56 0.00 0.00 34.95 31.31 2dmh s ARG 104 CO 0.52 -0.39 -0.00 -1.54 -0.81 0.00 0.00 175.30 173.07 2dmh s SER 105 N 2.01 4.82 -0.24 -2.12 1.04 -1.26 -0.78 113.70 117.16 2dmh s SER 105 Ca 0.04 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 54.97 2dmh s SER 105 Cb -0.13 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 2dmh s SER 105 CO -0.06 -0.28 0.09 -0.76 0.98 0.00 0.00 173.24 173.22 2dmh s LEU 106 N 1.19 3.62 -0.42 2.42 2.01 -1.08 -4.99 118.68 121.43 2dmh s LEU 106 Ca -0.04 -0.11 -0.28 0.00 0.01 0.00 0.00 54.13 53.71 2dmh s LEU 106 Cb -0.20 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.02 2dmh s LEU 106 CO -0.03 0.01 1.74 -2.16 1.01 0.00 0.00 176.35 176.92 2dmh s PRO 107 N 1.39 3.19 -0.55 1.29 0.04 -1.26 -3.73 135.00 135.36 2dmh s PRO 107 Ca 0.06 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 2dmh s PRO 107 Cb -0.15 -4.22 0.11 0.00 0.04 0.00 0.00 34.50 30.28 2dmh s PRO 107 CO 0.05 -2.04 0.59 0.71 0.04 0.00 0.00 177.00 176.35 2dmh s TYR 108 N 7.19 3.12 0.47 0.56 2.02 0.92 -5.01 117.35 126.62 2dmh s TYR 108 Ca 0.73 -1.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2dmh s TYR 108 Cb -0.18 -3.81 -0.01 0.00 -0.40 0.00 0.00 41.96 37.56 2dmh s TYR 108 CO 0.30 -1.12 0.08 0.15 -1.57 0.00 0.00 175.55 173.38 2dmh s LYS 109 N 2.18 2.09 -1.49 -0.62 1.02 -1.26 0.05 119.74 121.71 2dmh s LYS 109 Ca 0.08 -2.32 -0.13 0.00 0.02 0.00 0.00 55.97 53.63 2dmh s LYS 109 Cb -0.26 -1.02 0.09 0.00 -0.52 0.00 0.00 37.83 36.12 2dmh s LYS 109 CO 0.06 -0.46 0.79 1.28 -0.92 0.00 0.00 175.35 176.10 2dmh n LEU 110 N -1.11 -2.16 -4.66 3.17 4.77 -1.26 -4.90 117.00 110.86 2dmh n LEU 110 Ca -0.13 -0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 54.76 2dmh n LEU 110 Cb 0.66 -2.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.32 2dmh n LEU 110 CO 0.36 0.34 0.84 -0.63 -1.33 0.00 0.00 177.39 176.97 2dmh s ILE 111 N -3.18 4.72 -0.33 -0.08 1.01 -1.25 -4.94 121.20 117.16 2dmh s ILE 111 Ca 0.58 1.90 -0.29 0.00 0.00 0.00 0.00 60.65 62.84 2dmh s ILE 111 Cb -0.29 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2dmh s ILE 111 CO 0.71 -0.15 1.19 -0.94 0.00 0.00 0.00 174.94 175.75 2dmh s SER 112 N 1.24 6.77 0.07 3.58 1.04 -1.26 -3.45 113.70 121.69 2dmh s SER 112 Ca 0.41 1.06 -0.28 0.00 0.48 0.00 0.00 55.95 57.63 2dmh s SER 112 Cb -0.15 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 2dmh s SER 112 CO 0.06 -1.02 0.88 -0.76 0.98 0.00 0.00 173.24 173.38 2dmh s LEU 113 N 4.10 4.46 0.23 2.42 1.43 -0.48 -4.74 118.68 126.10 2dmh s LEU 113 Ca 0.51 1.63 0.11 0.00 -1.03 0.00 0.00 54.13 55.35 2dmh s LEU 113 Cb -0.14 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 2dmh s LEU 113 CO 0.21 -0.05 -0.21 -0.76 0.23 0.00 0.00 176.35 175.76 2dmh s LEU 114 N 0.10 2.51 0.85 1.79 1.43 0.76 -0.87 118.68 125.25 2dmh s LEU 114 Ca 0.44 -0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2dmh s LEU 114 Cb -0.22 -1.08 0.17 0.00 0.03 0.00 0.00 46.19 45.10 2dmh s LEU 114 CO 0.27 0.05 1.16 0.54 0.23 0.00 0.00 176.35 178.60 2dmh s ASN 115 N -3.10 3.66 0.22 2.29 2.20 -0.96 0.46 114.94 119.72 2dmh s ASN 115 Ca 0.25 -0.19 0.16 0.00 -0.94 0.00 0.00 52.86 52.13 2dmh s ASN 115 Cb -0.06 0.04 0.83 0.00 -2.00 0.00 0.00 41.25 40.06 2dmh s ASN 115 CO 0.12 -2.34 1.48 -1.84 -2.94 0.00 0.00 177.10 171.58 2dmh n GLU 116 N -3.29 0.10 0.05 3.55 0.28 -1.26 -0.60 120.64 119.48 2dmh n GLU 116 Ca 0.16 0.58 0.07 0.00 -0.16 0.00 0.00 57.16 57.81 2dmh n GLU 116 Cb 0.60 -1.82 -0.07 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.03 0.62 -0.06 3.44 4.76 -1.26 -4.97 118.16 118.65 2dmh n LYS 117 Ca -0.01 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2dmh n LYS 117 Cb 0.04 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 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 1.29 0.96 3.78 0.72 0.00 0.24 -5.09 105.19 107.10 2dmh n GLY 118 Ca -0.06 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.13 3.99 -0.31 1.61 -1.52 -1.26 -4.81 119.66 117.24 2dmh s GLN 119 Ca 0.00 0.04 -0.27 0.00 -1.95 0.00 0.00 55.36 53.17 2dmh s GLN 119 Cb 0.00 -3.33 -0.05 0.00 -0.22 0.00 0.00 33.01 29.40 2dmh s GLN 119 CO 0.00 0.45 2.24 0.16 -0.25 0.00 0.00 175.29 177.90 2dmh s ASP 120 N -0.16 5.18 0.44 5.90 1.47 -1.26 -2.26 116.67 125.98 2dmh s ASP 120 Ca 0.16 1.60 0.21 0.00 1.18 0.00 0.00 52.55 55.69 2dmh s ASP 120 Cb -0.13 -2.51 1.03 0.00 -0.34 0.00 0.00 42.92 40.97 2dmh s ASP 120 CO 0.04 -2.22 1.91 0.71 0.68 0.00 0.00 175.17 176.30 2dmh h THR 121 N 7.28 0.85 0.00 2.11 1.35 -1.34 -3.47 112.91 119.70 2dmh h THR 121 Ca -0.36 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2dmh h THR 121 Cb 1.24 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2dmh h THR 121 CO 1.02 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 2dmh n GLY 122 N -0.39 0.86 3.81 5.82 0.00 -1.25 -4.81 105.19 109.23 2dmh n GLY 122 Ca -0.01 0.00 -0.36 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 -2.02 3.75 0.03 4.61 0.00 -1.17 -4.71 121.76 122.25 2dmh s ALA 123 Ca 0.00 -0.67 0.09 0.00 0.00 0.00 0.00 51.96 51.38 2dmh s ALA 123 Cb 0.00 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 2dmh s ALA 123 CO 0.00 0.47 -0.26 0.95 0.00 0.00 0.00 175.76 176.92 2dmh s THR 124 N -0.57 2.08 -0.01 0.00 -4.23 -0.33 -1.39 115.64 111.20 2dmh s THR 124 Ca 0.12 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.33 2dmh s THR 124 Cb -0.12 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.96 2dmh s THR 124 CO 0.02 0.40 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.97 2dmh s ILE 125 N -0.76 0.21 -0.13 2.99 2.07 -1.22 -0.52 121.20 123.85 2dmh s ILE 125 Ca 0.11 -0.07 -0.15 0.00 -1.41 0.00 0.00 60.65 59.13 2dmh s ILE 125 Cb -0.10 -0.21 -0.05 0.00 0.13 0.00 0.00 42.46 42.23 2dmh s ILE 125 CO 0.01 0.08 0.35 -1.81 -1.91 0.00 0.00 174.94 171.67 2dmh s ASP 126 N 0.19 6.54 -0.01 4.50 1.01 -0.31 -3.76 116.67 124.82 2dmh s ASP 126 Ca -0.02 0.64 -0.03 0.00 0.71 0.00 0.00 52.55 53.85 2dmh s ASP 126 Cb -0.04 -2.21 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2dmh s ASP 126 CO -0.00 0.10 0.07 -0.76 0.21 0.00 0.00 175.17 174.79 2dmh s LEU 127 N 0.31 1.76 -0.31 1.23 1.43 0.11 -2.06 118.68 121.15 2dmh s LEU 127 Ca 0.20 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2dmh s LEU 127 Cb -0.14 0.34 0.10 0.00 0.03 0.00 0.00 46.19 46.52 2dmh s LEU 127 CO 0.07 -0.16 0.06 -0.69 0.23 0.00 0.00 176.35 175.86 2dmh s VAL 128 N -0.57 1.49 0.08 -1.59 1.01 -0.43 -0.06 120.40 120.34 2dmh s VAL 128 Ca -0.06 -1.75 -0.09 0.00 0.00 0.00 0.00 61.98 60.07 2dmh s VAL 128 Cb -0.04 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.20 2dmh s VAL 128 CO 0.00 -0.59 0.39 -0.63 0.00 0.00 0.00 175.10 174.27 2dmh s ILE 129 N 1.31 5.12 -0.07 2.22 1.01 -1.24 -1.71 121.20 127.84 2dmh s ILE 129 Ca 0.09 0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.12 2dmh s ILE 129 Cb -0.18 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.68 2dmh s ILE 129 CO -0.17 0.26 -0.07 -0.83 0.00 0.00 0.00 174.94 174.14 2dmh s GLY 130 N -1.84 0.64 0.14 6.18 0.00 -0.04 -2.62 107.32 109.79 2dmh s GLY 130 Ca 0.34 -0.29 -0.08 0.00 0.00 0.00 0.00 44.72 44.69 2dmh s GLY 130 CO 0.19 0.54 0.44 -0.47 0.00 0.00 0.00 173.10 173.79 2dmh s TYR 131 N 1.18 3.50 -0.13 1.90 5.04 0.04 -2.22 117.35 126.67 2dmh s TYR 131 Ca -0.06 0.74 -0.04 0.00 -2.44 0.00 0.00 57.07 55.27 2dmh s TYR 131 Cb -0.14 -2.14 0.06 0.00 0.35 0.00 0.00 41.96 40.09 2dmh s TYR 131 CO -0.02 0.42 0.12 -0.51 -1.34 0.00 0.00 175.55 174.23 2dmh s ASP 132 N -2.15 1.55 0.11 4.32 1.11 -1.24 -2.07 116.67 118.29 2dmh s ASP 132 Ca 0.40 -0.18 -0.31 0.00 0.18 0.00 0.00 52.55 52.64 2dmh s ASP 132 Cb -0.13 0.01 -0.08 0.00 1.07 0.00 0.00 42.92 43.79 2dmh s ASP 132 CO 0.21 -0.30 1.36 -2.16 1.18 0.00 0.00 175.17 175.47 2dmh s PRO 133 N 2.21 4.33 0.15 8.23 0.04 -1.26 -3.67 135.00 145.04 2dmh s PRO 133 Ca 0.04 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 62.81 2dmh s PRO 133 Cb -0.14 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 31.05 2dmh s PRO 133 CO -0.07 -0.42 1.34 -1.25 0.04 0.00 0.00 177.00 176.63 2dmh s PRO 134 N 1.12 4.36 -0.09 0.56 0.04 -1.26 -4.67 135.00 135.06 2dmh s PRO 134 Ca 0.64 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 2dmh s PRO 134 Cb -0.36 -3.23 0.07 0.00 0.04 0.00 0.00 34.50 31.02 2dmh s PRO 134 CO 0.30 -0.34 0.71 0.45 0.04 0.00 0.00 177.00 178.17 2dmh s SER 135 N 0.75 -0.65 0.12 6.66 0.15 -0.83 -4.91 113.70 114.98 2dmh s SER 135 Ca 0.60 0.81 0.07 0.00 0.70 0.00 0.00 55.95 58.14 2dmh s SER 135 Cb -0.36 0.67 -0.04 0.00 -1.71 0.00 0.00 66.02 64.58 2dmh s SER 135 CO 0.34 -0.53 -0.18 -0.83 1.20 0.00 0.00 173.24 173.24 2dmh s GLY 136 N -0.93 1.17 0.55 9.45 0.00 -1.26 -3.61 107.32 112.69 2dmh s GLY 136 Ca -0.09 -1.27 0.34 0.00 0.00 0.00 0.00 44.72 43.70 2dmh s GLY 136 CO 0.08 -1.30 2.00 -0.56 0.00 0.00 0.00 173.10 173.31 2dmh h PRO 137 N 3.79 0.00 -5.71 2.90 0.13 -2.01 -3.44 132.00 127.66 2dmh h PRO 137 Ca -0.43 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.06 2dmh h PRO 137 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2dmh h PRO 137 CO 0.45 0.02 1.49 0.43 -0.23 0.00 0.00 178.00 180.16 2dmh n SER 138 N -3.12 1.24 -4.14 1.44 7.64 -1.26 -4.88 113.62 110.54 2dmh n SER 138 Ca 0.00 0.35 -0.37 0.00 1.01 0.00 0.00 58.87 59.87 2dmh n SER 138 Cb 0.30 -1.09 -0.11 0.00 -1.01 0.00 0.00 64.21 62.30 2dmh n SER 138 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmh s SER 139 N 7.78 5.34 0.00 6.43 1.04 -1.26 -5.25 113.70 127.78 2dmh s SER 139 Ca 1.18 -2.01 0.28 0.00 0.48 0.00 0.00 55.95 55.88 2dmh s SER 139 Cb -1.10 -1.86 1.00 0.00 0.10 0.00 0.00 66.02 64.15 2dmh s SER 139 CO 0.52 -0.57 1.71 0.61 0.98 0.00 0.00 173.24 176.50