#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 6.39 0.07 1.61 0.15 -1.26 -5.07 113.70 115.58 2dmh s SER 2 Ca 0.00 0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.79 2dmh s SER 2 Cb 0.00 -2.03 -0.05 0.00 -1.71 0.00 0.00 66.02 62.24 2dmh s SER 2 CO 0.00 -0.09 0.96 -0.55 1.20 0.00 0.00 173.24 174.76 2dmh s SER 3 N -3.25 7.44 -0.17 5.45 0.15 -1.26 -4.44 113.70 117.61 2dmh s SER 3 Ca 0.39 1.73 -0.06 0.00 0.70 0.00 0.00 55.95 58.71 2dmh s SER 3 Cb -0.11 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.63 2dmh s SER 3 CO 0.30 -0.13 0.21 0.61 1.20 0.00 0.00 173.24 175.43 2dmh n GLY 4 N 2.48 -1.32 0.03 9.45 0.00 -1.26 -5.03 105.19 109.53 2dmh n GLY 4 Ca 0.03 0.41 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 2dmh n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dmh h SER 5 N 0.90 0.00 -5.23 1.61 0.87 -1.96 -3.46 113.55 106.29 2dmh h SER 5 Ca 0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 2dmh h SER 5 Cb 0.36 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 62.15 2dmh h SER 5 CO 0.08 0.28 -0.40 -1.20 -0.53 0.00 0.00 176.83 175.06 2dmh n SER 6 N -3.40 -1.10 -1.72 6.23 7.64 -1.26 -4.08 113.62 115.94 2dmh n SER 6 Ca -0.01 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2dmh n SER 6 Cb 0.03 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2dmh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmh n GLY 7 N -0.69 -4.72 3.64 0.23 0.00 -1.26 -0.20 105.19 102.19 2dmh n GLY 7 Ca 0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 2dmh n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dmh s MET 8 N -3.77 0.62 -0.14 1.61 -2.45 -1.13 -2.43 119.30 111.60 2dmh s MET 8 Ca 0.00 1.36 -0.16 0.00 -1.25 0.00 0.00 55.69 55.64 2dmh s MET 8 Cb 0.00 0.61 -0.04 0.00 1.25 0.00 0.00 34.83 36.65 2dmh s MET 8 CO 0.00 -0.18 0.38 -1.17 1.05 0.00 0.00 175.02 175.10 2dmh s LEU 9 N 2.45 4.25 -0.15 4.11 2.96 -0.86 -3.84 118.68 127.60 2dmh s LEU 9 Ca -0.07 0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 54.48 2dmh s LEU 9 Cb -0.09 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 2dmh s LEU 9 CO -0.19 0.04 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.62 2dmh s ARG 10 N 0.59 3.31 -0.38 1.98 0.52 -1.11 0.04 118.95 123.90 2dmh s ARG 10 Ca 0.21 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 2dmh s ARG 10 Cb -0.14 -2.67 0.11 0.00 0.52 0.00 0.00 34.95 32.77 2dmh s ARG 10 CO 0.07 0.09 0.12 0.08 0.02 0.00 0.00 175.30 175.68 2dmh s VAL 11 N 0.67 2.69 -0.15 3.52 1.01 0.20 -1.36 120.40 126.98 2dmh s VAL 11 Ca -0.07 -2.30 -0.25 0.00 0.00 0.00 0.00 61.98 59.36 2dmh s VAL 11 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 2dmh s VAL 11 CO 0.02 -0.65 0.81 -0.63 0.00 0.00 0.00 175.10 174.66 2dmh s ILE 12 N 0.91 4.91 -0.70 2.22 1.01 -0.53 -1.37 121.20 127.65 2dmh s ILE 12 Ca 0.10 1.61 -0.13 0.00 0.00 0.00 0.00 60.65 62.23 2dmh s ILE 12 Cb -0.21 -4.12 0.18 0.00 0.01 0.00 0.00 42.46 38.32 2dmh s ILE 12 CO -0.06 0.07 0.63 -0.69 0.00 0.00 0.00 174.94 174.88 2dmh s VAL 13 N 1.90 5.19 0.00 2.92 1.01 -0.85 -0.94 120.40 129.62 2dmh s VAL 13 Ca 0.38 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.15 2dmh s VAL 13 Cb -0.17 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.95 2dmh s VAL 13 CO 0.14 -0.95 0.74 -0.62 0.00 0.00 0.00 175.10 174.41 2dmh n GLU 14 N 4.33 0.00 -3.72 2.72 -0.58 -0.99 -1.01 120.64 121.40 2dmh n GLU 14 Ca 0.04 0.28 0.01 0.00 -0.42 0.00 0.00 57.16 57.08 2dmh n GLU 14 Cb 0.44 -1.24 -0.00 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.08 -0.05 0.22 1.62 1.04 -1.24 -0.42 113.70 112.80 2dmh s SER 15 Ca 0.00 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.31 2dmh s SER 15 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 2dmh s SER 15 CO 0.00 -0.37 -0.11 0.00 0.98 0.00 0.00 173.24 173.74 2dmh s ALA 16 N -2.37 2.05 0.17 5.32 0.00 -0.90 -1.14 121.76 124.89 2dmh s ALA 16 Ca 0.18 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 50.27 2dmh s ALA 16 Cb 0.03 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2dmh s ALA 16 CO -0.02 0.00 0.44 -1.12 0.00 0.00 0.00 175.76 175.06 2dmh s SER 17 N -3.34 -0.17 -0.87 0.00 0.01 0.38 -3.19 113.70 106.52 2dmh s SER 17 Ca 0.24 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 56.92 2dmh s SER 17 Cb 0.01 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2dmh s SER 17 CO 0.08 -0.97 0.74 0.59 0.41 0.00 0.00 173.24 174.09 2dmh n ASN 18 N -0.28 -3.23 -4.76 2.44 3.02 -1.26 -1.01 115.26 110.18 2dmh n ASN 18 Ca -0.11 -0.41 -0.38 0.00 -0.03 0.00 0.00 54.58 53.65 2dmh n ASN 18 Cb 0.63 -3.68 -0.06 0.00 -0.61 0.00 0.00 39.78 36.06 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 -3.24 5.01 -0.53 2.41 1.01 -1.25 -2.99 121.20 121.62 2dmh s ILE 19 Ca 0.16 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 61.64 2dmh s ILE 19 Cb -0.07 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 2dmh s ILE 19 CO 0.51 0.42 1.81 -2.16 0.00 0.00 0.00 174.94 175.51 2dmh s PRO 20 N -0.10 2.87 1.27 2.79 0.04 -1.26 -4.90 135.00 135.71 2dmh s PRO 20 Ca 0.28 0.83 -0.21 0.00 0.04 0.00 0.00 61.00 61.94 2dmh s PRO 20 Cb -0.17 -4.31 0.32 0.00 0.04 0.00 0.00 34.50 30.38 2dmh s PRO 20 CO 0.15 -2.43 0.91 0.36 0.04 0.00 0.00 177.00 176.02 2dmh n LYS 21 N 8.92 -3.92 -4.64 4.56 2.85 -1.26 -4.86 118.16 119.81 2dmh n LYS 21 Ca 0.21 -1.49 -0.29 0.00 -1.05 0.00 0.00 58.31 55.69 2dmh n LYS 21 Cb 0.50 -1.65 -0.09 0.00 -0.65 0.00 0.00 35.03 33.14 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 -2.41 1.12 0.21 0.58 -4.23 -1.25 -4.95 115.64 104.72 2dmh s THR 22 Ca 0.64 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 2dmh s THR 22 Cb -0.09 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.50 2dmh s THR 22 CO 0.52 0.00 1.81 0.07 -0.54 0.00 0.00 174.62 176.47 2dmh h LYS 23 N 1.60 0.66 0.07 3.99 2.10 -2.02 -2.75 116.57 120.22 2dmh h LYS 23 Ca -0.41 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.22 2dmh h LYS 23 Cb 1.29 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 32.42 2dmh h LYS 23 CO 0.70 0.44 -0.30 0.74 -2.00 0.00 0.00 179.45 179.02 2dmh h PHE 24 N 0.68 -0.83 0.00 0.07 0.04 -2.05 -3.48 116.94 111.38 2dmh h PHE 24 Ca 0.29 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.08 2dmh h PHE 24 Cb 0.16 0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2dmh h PHE 24 CO -0.08 -0.40 0.00 0.41 -0.60 0.00 0.00 178.31 177.64 2dmh n GLY 25 N -1.41 -1.75 3.16 -1.45 0.00 -1.04 -5.12 105.19 97.60 2dmh n GLY 25 Ca -0.06 0.60 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 2dmh n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmh s LYS 26 N 0.00 0.34 1.10 1.61 1.02 -1.26 -3.77 119.74 118.77 2dmh s LYS 26 Ca 0.00 0.90 -0.15 0.00 0.02 0.00 0.00 55.97 56.73 2dmh s LYS 26 Cb 0.00 0.12 0.24 0.00 -0.52 0.00 0.00 37.83 37.66 2dmh s LYS 26 CO 0.00 -0.37 1.10 -1.25 -0.92 0.00 0.00 175.35 173.91 2dmh s PRO 27 N 2.60 -0.37 -0.56 -1.68 0.04 -1.26 -4.24 135.00 129.53 2dmh s PRO 27 Ca 0.03 0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 2dmh s PRO 27 Cb -0.13 -1.67 0.14 0.00 0.04 0.00 0.00 34.50 32.88 2dmh s PRO 27 CO -0.14 -3.21 0.48 -0.51 0.04 0.00 0.00 177.00 173.66 2dmh s ASP 28 N -3.64 6.04 0.59 6.66 1.11 -1.26 -3.25 116.67 122.93 2dmh s ASP 28 Ca 0.68 -2.04 -0.17 0.00 0.18 0.00 0.00 52.55 51.20 2dmh s ASP 28 Cb -0.15 -2.12 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 2dmh s ASP 28 CO 0.57 -0.73 1.12 -2.16 1.18 0.00 0.00 175.17 175.16 2dmh s PRO 29 N 1.19 3.11 -0.16 8.23 0.04 -1.26 -0.09 135.00 146.07 2dmh s PRO 29 Ca 0.07 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2dmh s PRO 29 Cb -0.25 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.35 2dmh s PRO 29 CO -0.01 -1.03 0.43 -1.50 0.04 0.00 0.00 177.00 174.94 2dmh s ILE 30 N -2.02 0.00 -0.21 0.56 1.10 -1.10 -3.09 121.20 116.44 2dmh s ILE 30 Ca 0.70 -0.01 -0.12 0.00 -0.51 0.00 0.00 60.65 60.72 2dmh s ILE 30 Cb -0.22 -0.60 -0.05 0.00 0.15 0.00 0.00 42.46 41.73 2dmh s ILE 30 CO 0.33 -0.00 0.20 -0.69 -2.11 0.00 0.00 174.94 172.67 2dmh s VAL 31 N 0.20 5.34 -0.12 4.00 1.01 -1.26 -3.30 120.40 126.27 2dmh s VAL 31 Ca -0.00 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2dmh s VAL 31 Cb -0.03 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 2dmh s VAL 31 CO 0.01 0.37 -0.13 -0.94 0.00 0.00 0.00 175.10 174.40 2dmh s SER 32 N 0.78 4.02 -0.18 3.32 1.04 -1.15 -1.50 113.70 120.03 2dmh s SER 32 Ca 0.10 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.23 2dmh s SER 32 Cb -0.13 -1.54 0.03 0.00 0.10 0.00 0.00 66.02 64.48 2dmh s SER 32 CO 0.03 0.18 -0.14 -0.69 0.98 0.00 0.00 173.24 173.60 2dmh s VAL 33 N 0.25 1.75 -0.17 5.02 1.01 0.20 -3.02 120.40 125.43 2dmh s VAL 33 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2dmh s VAL 33 Cb -0.15 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.54 2dmh s VAL 33 CO 0.05 0.34 -0.19 -0.63 0.00 0.00 0.00 175.10 174.68 2dmh s ILE 34 N 1.38 2.19 -0.20 2.22 1.09 -1.20 -0.50 121.20 126.18 2dmh s ILE 34 Ca 0.02 -0.91 -0.13 0.00 -1.10 0.00 0.00 60.65 58.53 2dmh s ILE 34 Cb -0.15 -1.91 0.06 0.00 -1.06 0.00 0.00 42.46 39.40 2dmh s ILE 34 CO -0.10 0.53 0.50 0.12 -0.10 0.00 0.00 174.94 175.89 2dmh s PHE 35 N 1.16 -0.68 -1.26 3.97 5.36 -0.89 -3.60 117.98 122.04 2dmh s PHE 35 Ca 0.02 1.47 -0.02 0.00 -0.96 0.00 0.00 56.93 57.44 2dmh s PHE 35 Cb -0.14 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 42.86 2dmh s PHE 35 CO -0.09 -0.35 1.00 1.63 -1.46 0.00 0.00 175.22 175.94 2dmh n LYS 36 N 3.78 -6.63 -3.24 10.12 4.76 -1.26 -1.83 118.16 123.87 2dmh n LYS 36 Ca -0.19 0.80 -0.23 0.00 -2.87 0.00 0.00 58.31 55.82 2dmh n LYS 36 Cb 0.56 -5.76 0.01 0.00 -1.84 0.00 0.00 35.03 28.01 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 -3.08 -4.80 -3.83 4.39 8.00 -1.26 -4.95 116.55 111.02 2dmh n ASP 37 Ca -0.22 -0.36 -0.29 0.00 0.71 0.00 0.00 54.79 54.64 2dmh n ASP 37 Cb 0.64 -3.91 -0.16 0.00 -0.02 0.00 0.00 41.12 37.67 2dmh n ASP 37 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2dmh s GLU 38 N -5.90 1.11 -0.06 -1.24 2.56 -0.76 -5.12 118.70 109.29 2dmh s GLU 38 Ca 0.37 -0.65 -0.22 0.00 0.00 0.00 0.00 54.97 54.47 2dmh s GLU 38 Cb -0.18 -2.28 -0.04 0.00 2.00 0.00 0.00 34.13 33.63 2dmh s GLU 38 CO 0.46 -0.60 0.64 0.21 -0.56 0.00 0.00 175.26 175.41 2dmh s LYS 39 N 1.65 4.41 -0.21 4.30 2.20 -1.26 -2.09 119.74 128.74 2dmh s LYS 39 Ca -0.03 0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 56.27 2dmh s LYS 39 Cb -0.18 -3.43 0.09 0.00 -1.51 0.00 0.00 37.83 32.80 2dmh s LYS 39 CO -0.07 0.13 0.48 0.15 -0.36 0.00 0.00 175.35 175.68 2dmh s LYS 40 N 0.61 0.42 0.41 4.03 1.02 0.35 -5.01 119.74 121.56 2dmh s LYS 40 Ca 0.34 1.04 0.05 0.00 0.02 0.00 0.00 55.97 57.43 2dmh s LYS 40 Cb -0.17 0.28 -0.06 0.00 -0.52 0.00 0.00 37.83 37.35 2dmh s LYS 40 CO 0.17 -0.20 0.03 -1.59 -0.92 0.00 0.00 175.35 172.83 2dmh s LYS 41 N 2.17 1.92 0.39 1.68 -2.85 -1.26 0.59 119.74 122.39 2dmh s LYS 41 Ca -0.06 -2.11 -0.02 0.00 -1.00 0.00 0.00 55.97 52.78 2dmh s LYS 41 Cb -0.10 -1.40 0.08 0.00 -2.06 0.00 0.00 37.83 34.35 2dmh s LYS 41 CO -0.14 -0.15 0.53 0.25 0.10 0.00 0.00 175.35 175.94 2dmh n THR 42 N -0.95 0.00 -2.67 3.79 -2.24 -0.56 -4.97 114.28 106.68 2dmh n THR 42 Ca -0.07 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.56 2dmh n THR 42 Cb 0.67 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 2dmh n THR 42 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2dmh s LYS 43 N -3.88 4.06 0.26 -0.78 -2.85 -1.26 -4.78 119.74 110.50 2dmh s LYS 43 Ca 0.34 1.03 -0.29 0.00 -1.00 0.00 0.00 55.97 56.05 2dmh s LYS 43 Cb -0.02 -3.73 -0.15 0.00 -2.06 0.00 0.00 37.83 31.87 2dmh s LYS 43 CO 0.23 -0.88 0.91 0.36 0.10 0.00 0.00 175.35 176.07 2dmh n LYS 44 N 6.79 1.00 -4.17 1.78 -0.00 -1.26 -4.93 118.16 117.36 2dmh n LYS 44 Ca 0.11 0.35 -0.35 0.00 -0.00 0.00 0.00 58.31 58.42 2dmh n LYS 44 Cb 0.47 -1.65 -0.09 0.00 -0.00 0.00 0.00 35.03 33.77 2dmh n LYS 44 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2dmh s VAL 45 N -0.96 4.67 1.15 0.58 1.01 -1.18 -5.07 120.40 120.61 2dmh s VAL 45 Ca 0.61 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 2dmh s VAL 45 Cb -0.77 -3.02 0.27 0.00 0.00 0.00 0.00 36.38 32.85 2dmh s VAL 45 CO 0.58 0.57 0.95 -0.90 0.00 0.00 0.00 175.10 176.30 2dmh n ASP 46 N 2.54 -1.63 -3.41 3.32 5.75 -1.26 -4.03 116.55 117.83 2dmh n ASP 46 Ca -0.18 -0.11 -0.34 0.00 -0.01 0.00 0.00 54.79 54.14 2dmh n ASP 46 Cb 0.53 -1.26 -0.11 0.00 -1.03 0.00 0.00 41.12 39.26 2dmh n ASP 46 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2dmh n ASN 47 N -4.66 0.29 -3.64 -1.12 0.23 -1.26 -4.79 115.26 100.32 2dmh n ASN 47 Ca 0.04 0.22 -0.07 0.00 -0.53 0.00 0.00 54.58 54.23 2dmh n ASN 47 Cb 0.54 -0.70 -0.07 0.00 -2.08 0.00 0.00 39.78 37.47 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 6.42 0.58 -0.01 -3.83 2.56 -1.20 -4.95 118.70 118.27 2dmh s GLU 48 Ca 1.02 0.87 -0.23 0.00 0.00 0.00 0.00 54.97 56.62 2dmh s GLU 48 Cb -1.00 0.19 -0.19 0.00 2.00 0.00 0.00 34.13 35.12 2dmh s GLU 48 CO 0.40 -0.10 1.21 -0.07 -0.56 0.00 0.00 175.26 176.14 2dmh h LEU 49 N 5.74 0.22 -7.51 2.70 4.07 -1.88 -3.39 115.31 115.27 2dmh h LEU 49 Ca -0.29 -0.59 -0.74 0.00 0.08 0.00 0.00 57.88 56.35 2dmh h LEU 49 Cb 1.19 -0.06 -0.32 0.00 1.08 0.00 0.00 40.66 42.55 2dmh h LEU 49 CO 0.14 0.76 -0.01 0.20 -1.08 0.00 0.00 178.44 178.46 2dmh s ASN 50 N -6.07 6.23 0.66 -0.43 0.02 -1.26 -3.93 114.94 110.16 2dmh s ASN 50 Ca -0.15 -3.32 -0.15 0.00 -1.02 0.00 0.00 52.86 48.22 2dmh s ASN 50 Cb 0.03 -2.01 0.00 0.00 0.02 0.00 0.00 41.25 39.29 2dmh s ASN 50 CO 0.73 -0.31 1.11 -2.16 0.02 0.00 0.00 177.10 176.48 2dmh s PRO 51 N -0.78 2.77 -0.27 -0.60 0.04 -1.19 -4.85 135.00 130.12 2dmh s PRO 51 Ca 0.24 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.64 2dmh s PRO 51 Cb -0.11 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.57 2dmh s PRO 51 CO -0.09 -1.27 0.07 0.08 0.04 0.00 0.00 177.00 175.84 2dmh s VAL 52 N -2.38 0.74 -0.16 -0.36 1.01 -1.26 -2.12 120.40 115.87 2dmh s VAL 52 Ca 0.67 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 2dmh s VAL 52 Cb -0.20 -1.43 -0.23 0.00 0.00 0.00 0.00 36.38 34.51 2dmh s VAL 52 CO 0.42 -0.51 0.29 0.79 0.00 0.00 0.00 175.10 176.09 2dmh n TRP 53 N 4.93 1.14 -2.90 5.22 8.01 -1.10 -4.95 117.44 127.79 2dmh n TRP 53 Ca -0.05 0.32 -0.12 0.00 -1.31 0.00 0.00 57.50 56.34 2dmh n TRP 53 Cb 0.44 -1.14 -0.01 0.00 -2.01 0.00 0.00 31.31 28.59 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 -3.84 -2.28 -4.98 -0.99 3.02 0.44 -4.91 115.26 101.73 2dmh n ASN 54 Ca -0.33 0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.07 2dmh n ASN 54 Cb 0.91 -2.00 0.06 0.00 -0.61 0.00 0.00 39.78 38.15 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 -5.47 2.29 -0.06 3.52 -1.05 -1.12 -4.94 118.70 111.87 2dmh s GLU 55 Ca 0.18 -1.50 0.01 0.00 -0.15 0.00 0.00 54.97 53.51 2dmh s GLU 55 Cb -0.10 -2.62 0.02 0.00 -0.44 0.00 0.00 34.13 31.00 2dmh s GLU 55 CO 0.22 -0.86 -0.06 0.42 0.95 0.00 0.00 175.26 175.92 2dmh s ILE 56 N -2.69 0.71 0.13 1.83 1.01 -1.26 -2.01 121.20 118.91 2dmh s ILE 56 Ca 0.62 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 61.14 2dmh s ILE 56 Cb -0.06 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 2dmh s ILE 56 CO 0.39 0.27 -0.05 -0.76 0.00 0.00 0.00 174.94 174.79 2dmh s LEU 57 N 1.04 3.21 0.09 2.97 1.43 -0.47 -4.96 118.68 121.98 2dmh s LEU 57 Ca -0.09 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2dmh s LEU 57 Cb -0.14 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2dmh s LEU 57 CO -0.00 0.14 -0.01 -1.61 0.23 0.00 0.00 176.35 175.10 2dmh s GLU 58 N -2.52 0.79 -0.04 1.70 8.01 -1.26 0.62 118.70 125.98 2dmh s GLU 58 Ca 0.25 -1.33 -0.11 0.00 0.01 0.00 0.00 54.97 53.78 2dmh s GLU 58 Cb -0.10 0.11 0.02 0.00 -4.31 0.00 0.00 34.13 29.85 2dmh s GLU 58 CO 0.16 -0.14 0.25 -0.06 0.01 0.00 0.00 175.26 175.48 2dmh s PHE 59 N -3.89 -0.17 0.09 1.61 0.40 0.11 -4.94 117.98 111.19 2dmh s PHE 59 Ca 0.14 0.34 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 2dmh s PHE 59 Cb 0.07 0.06 -0.06 0.00 0.51 0.00 0.00 43.02 43.60 2dmh s PHE 59 CO -0.04 -0.27 0.80 0.34 0.70 0.00 0.00 175.22 176.74 2dmh s ASP 60 N -0.79 7.31 -0.02 1.36 -1.08 -1.26 -2.02 116.67 120.17 2dmh s ASP 60 Ca -0.09 1.56 0.16 0.00 -0.52 0.00 0.00 52.55 53.66 2dmh s ASP 60 Cb -0.05 -2.49 -0.24 0.00 -1.46 0.00 0.00 42.92 38.67 2dmh s ASP 60 CO 0.02 0.07 0.36 0.18 0.52 0.00 0.00 175.17 176.32 2dmh n LEU 61 N 2.40 0.03 -3.70 -1.34 4.77 -1.02 -4.91 117.00 113.23 2dmh n LEU 61 Ca -0.03 -0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 2dmh n LEU 61 Cb 0.50 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2dmh n LEU 61 CO 0.47 0.01 0.09 0.54 -1.33 0.00 0.00 177.39 177.17 2dmh n ARG 62 N -2.03 -5.46 -0.61 3.23 1.74 -0.86 0.15 116.66 112.83 2dmh n ARG 62 Ca -0.03 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 2dmh n ARG 62 Cb 0.41 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.32 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 -1.64 1.77 3.60 -0.13 0.00 0.72 -4.99 105.19 104.52 2dmh n GLY 63 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2dmh n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmh s ILE 64 N -3.60 4.55 1.25 -0.61 -1.09 0.12 -4.78 121.20 117.04 2dmh s ILE 64 Ca 0.00 1.14 -0.21 0.00 -2.23 0.00 0.00 60.65 59.35 2dmh s ILE 64 Cb 0.00 -4.37 0.31 0.00 -1.58 0.00 0.00 42.46 36.82 2dmh s ILE 64 CO 0.00 -0.61 1.11 -2.16 -1.23 0.00 0.00 174.94 172.06 2dmh s PRO 65 N 3.57 -1.62 0.08 2.79 0.04 -1.26 -4.78 135.00 133.82 2dmh s PRO 65 Ca 0.39 -0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.23 2dmh s PRO 65 Cb -0.11 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 2dmh s PRO 65 CO 0.20 -3.95 0.21 -0.51 0.04 0.00 0.00 177.00 173.00 2dmh s LEU 66 N -7.06 4.28 0.35 -3.56 1.43 -1.26 -5.08 118.68 107.78 2dmh s LEU 66 Ca 0.72 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 2dmh s LEU 66 Cb -0.07 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2dmh s LEU 66 CO 0.56 0.14 0.16 1.51 0.23 0.00 0.00 176.35 178.95 2dmh s ASP 67 N -2.67 2.03 0.44 2.29 -4.77 -1.26 -4.60 116.67 108.13 2dmh s ASP 67 Ca 0.34 -1.62 0.12 0.00 -3.30 0.00 0.00 52.55 48.09 2dmh s ASP 67 Cb -0.12 0.43 1.01 0.00 -1.09 0.00 0.00 42.92 43.15 2dmh s ASP 67 CO 0.27 -0.92 2.04 -0.26 0.70 0.00 0.00 175.17 177.01 2dmh h PHE 68 N 2.05 0.39 0.00 2.11 -1.00 -1.90 -0.16 116.94 118.43 2dmh h PHE 68 Ca -0.33 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.37 2dmh h PHE 68 Cb 1.25 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.67 2dmh h PHE 68 CO 1.28 0.22 -0.40 1.03 -1.61 0.00 0.00 178.31 178.83 2dmh h SER 69 N 0.39 0.00 -2.89 2.17 0.87 -1.96 -3.40 113.55 108.73 2dmh h SER 69 Ca 0.18 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.21 2dmh h SER 69 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2dmh h SER 69 CO -0.04 0.40 0.83 -0.44 -0.53 0.00 0.00 176.83 177.05 2dmh s SER 70 N -6.42 6.78 0.18 6.23 0.01 -0.07 -4.97 113.70 115.43 2dmh s SER 70 Ca 0.01 2.29 -0.14 0.00 1.31 0.00 0.00 55.95 59.41 2dmh s SER 70 Cb 0.10 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.77 2dmh s SER 70 CO 0.70 -0.74 0.42 -0.44 0.41 0.00 0.00 173.24 173.59 2dmh s SER 71 N 1.70 -0.14 0.07 2.44 0.01 -1.26 -1.68 113.70 114.84 2dmh s SER 71 Ca 0.66 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.33 2dmh s SER 71 Cb -0.36 0.52 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2dmh s SER 71 CO 0.29 -0.98 0.07 -0.22 0.41 0.00 0.00 173.24 172.80 2dmh s LEU 72 N -2.91 3.75 -0.25 2.44 2.96 0.23 -4.88 118.68 120.02 2dmh s LEU 72 Ca 0.12 -0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2dmh s LEU 72 Cb 0.01 -2.42 0.03 0.00 0.50 0.00 0.00 46.19 44.32 2dmh s LEU 72 CO -0.02 0.18 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.29 2dmh s GLY 73 N -2.30 1.62 -0.36 7.98 0.00 -1.24 -1.20 107.32 111.82 2dmh s GLY 73 Ca 0.28 -1.51 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 2dmh s GLY 73 CO 0.21 0.53 0.16 -0.42 0.00 0.00 0.00 173.10 173.57 2dmh s ILE 74 N 1.28 3.95 -0.27 0.90 -1.09 0.15 -3.28 121.20 122.85 2dmh s ILE 74 Ca -0.01 -1.21 -0.01 0.00 -2.23 0.00 0.00 60.65 57.19 2dmh s ILE 74 Cb -0.17 -3.29 0.04 0.00 -1.58 0.00 0.00 42.46 37.45 2dmh s ILE 74 CO -0.05 -0.28 -0.05 -0.63 -1.23 0.00 0.00 174.94 172.69 2dmh s ILE 75 N 1.41 2.77 -0.36 2.92 1.01 -1.17 0.67 121.20 128.45 2dmh s ILE 75 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 60.65 59.27 2dmh s ILE 75 Cb -0.20 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2dmh s ILE 75 CO 0.03 0.07 0.30 -0.69 0.00 0.00 0.00 174.94 174.65 2dmh s VAL 76 N 1.26 5.23 0.08 2.92 1.01 0.15 -2.91 120.40 128.15 2dmh s VAL 76 Ca -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2dmh s VAL 76 Cb -0.18 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2dmh s VAL 76 CO -0.04 -0.12 -0.00 -0.54 0.00 0.00 0.00 175.10 174.40 2dmh s LYS 77 N 1.83 0.73 -0.17 2.72 1.02 -1.21 -1.48 119.74 123.18 2dmh s LYS 77 Ca 0.08 -1.30 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 2dmh s LYS 77 Cb -0.17 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.29 2dmh s LYS 77 CO 0.11 -0.15 1.64 0.34 -0.92 0.00 0.00 175.35 176.36 2dmh s ASP 78 N -2.97 6.45 0.21 2.83 2.15 -1.26 -2.70 116.67 121.38 2dmh s ASP 78 Ca 0.13 1.82 -0.11 0.00 0.43 0.00 0.00 52.55 54.82 2dmh s ASP 78 Cb 0.08 -2.53 0.29 0.00 -0.30 0.00 0.00 42.92 40.46 2dmh s ASP 78 CO -0.06 -1.17 1.66 0.15 -0.17 0.00 0.00 175.17 175.58 2dmh h PHE 79 N 10.46 -0.08 0.00 -5.34 3.57 -0.79 -2.94 116.94 121.82 2dmh h PHE 79 Ca -0.35 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.19 2dmh h PHE 79 Cb 1.16 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2dmh h PHE 79 CO 0.90 -0.18 0.00 0.39 -2.23 0.00 0.00 178.31 177.19 2dmh n GLU 80 N -5.30 0.00 -2.89 1.11 1.02 -1.26 -3.95 120.64 109.36 2dmh n GLU 80 Ca 0.09 0.75 -0.43 0.00 -0.02 0.00 0.00 57.16 57.55 2dmh n GLU 80 Cb 0.36 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 2dmh n GLU 80 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2dmh s THR 81 N -2.14 4.53 0.00 2.62 -1.32 -1.11 -4.92 115.64 113.31 2dmh s THR 81 Ca 0.00 0.47 0.00 0.00 -1.21 0.00 0.00 61.69 60.95 2dmh s THR 81 Cb 0.00 -4.41 0.00 0.00 -1.51 0.00 0.00 72.50 66.58 2dmh s THR 81 CO 0.00 -0.86 0.00 -0.38 -2.21 0.00 0.00 174.62 171.17 2dmh n ILE 82 N 6.23 0.00 -2.72 5.08 5.41 -1.25 -4.51 119.36 127.59 2dmh n ILE 82 Ca 0.03 0.41 -0.43 0.00 1.00 0.00 0.00 62.75 63.76 2dmh n ILE 82 Cb 0.48 -1.38 -0.00 0.00 -0.71 0.00 0.00 39.64 38.03 2dmh n ILE 82 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2dmh s GLY 83 N -2.47 1.90 -0.02 7.39 0.00 -1.26 -4.88 107.32 107.98 2dmh s GLY 83 Ca 0.00 -3.02 -0.30 0.00 0.00 0.00 0.00 44.72 41.40 2dmh s GLY 83 CO 0.00 2.45 0.99 1.62 0.00 0.00 0.00 173.10 178.16 2dmh s GLN 84 N 3.27 0.75 -1.03 2.90 2.00 -1.26 -5.07 119.66 121.22 2dmh s GLN 84 Ca 0.48 -0.31 -0.25 0.00 -2.00 0.00 0.00 55.36 53.28 2dmh s GLN 84 Cb 0.01 0.32 -0.13 0.00 0.80 0.00 0.00 33.01 34.00 2dmh s GLN 84 CO 0.03 -0.33 2.08 -0.80 -0.50 0.00 0.00 175.29 175.77 2dmh s ASN 85 N -2.52 4.32 -0.28 6.67 -0.87 -1.26 -4.80 114.94 116.20 2dmh s ASN 85 Ca 0.08 -0.96 -0.23 0.00 -1.57 0.00 0.00 52.86 50.18 2dmh s ASN 85 Cb -0.01 -2.58 0.10 0.00 -0.02 0.00 0.00 41.25 38.74 2dmh s ASN 85 CO -0.06 -3.72 0.86 -0.75 -2.57 0.00 0.00 177.10 170.87 2dmh s LYS 86 N 7.65 0.65 -0.29 -0.60 2.36 -1.26 -5.17 119.74 123.09 2dmh s LYS 86 Ca 0.77 0.84 -0.15 0.00 -2.55 0.00 0.00 55.97 54.88 2dmh s LYS 86 Cb -0.05 0.29 0.10 0.00 -1.05 0.00 0.00 37.83 37.11 2dmh s LYS 86 CO 0.11 -0.09 0.75 -1.17 1.55 0.00 0.00 175.35 176.51 2dmh s LEU 87 N 0.55 -0.88 -0.12 5.43 0.20 -1.26 -4.89 118.68 117.71 2dmh s LEU 87 Ca -0.01 1.36 -0.25 0.00 0.69 0.00 0.00 54.13 55.93 2dmh s LEU 87 Cb -0.05 2.22 -0.27 0.00 -0.43 0.00 0.00 46.19 47.67 2dmh s LEU 87 CO -0.06 -0.21 0.73 0.40 -0.29 0.00 0.00 176.35 176.92 2dmh h ILE 88 N 5.17 1.55 0.00 6.68 2.04 -1.85 -3.45 117.51 127.66 2dmh h ILE 88 Ca -0.27 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.19 2dmh h ILE 88 Cb 1.20 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.44 2dmh h ILE 88 CO 0.15 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.54 2dmh n GLY 89 N 1.62 1.79 3.46 5.37 0.00 -0.55 -4.53 105.19 112.35 2dmh n GLY 89 Ca -0.15 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 0.89 -0.29 2.61 -4.23 0.13 0.35 115.64 113.09 2dmh s THR 90 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 2dmh s THR 90 Cb 0.00 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.41 2dmh s THR 90 CO 0.00 0.00 1.12 0.00 -0.54 0.00 0.00 174.62 175.20 2dmh s ALA 91 N -3.32 -2.42 -0.14 3.99 0.00 0.21 -1.51 121.76 118.58 2dmh s ALA 91 Ca 0.32 2.07 -0.02 0.00 0.00 0.00 0.00 51.96 54.33 2dmh s ALA 91 Cb 0.06 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 2dmh s ALA 91 CO 0.15 -0.32 -0.06 0.99 0.00 0.00 0.00 175.76 176.52 2dmh s THR 92 N 1.10 3.67 -0.39 0.00 2.01 -1.26 0.31 115.64 121.07 2dmh s THR 92 Ca -0.07 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 2dmh s THR 92 Cb -0.03 -2.58 0.06 0.00 0.01 0.00 0.00 72.50 69.96 2dmh s THR 92 CO -0.12 0.51 0.21 -0.69 -0.69 0.00 0.00 174.62 173.84 2dmh s VAL 93 N 0.20 4.11 -0.11 3.82 1.01 -0.34 -4.94 120.40 124.15 2dmh s VAL 93 Ca -0.04 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.35 2dmh s VAL 93 Cb -0.14 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2dmh s VAL 93 CO 0.03 -0.40 1.65 0.00 0.00 0.00 0.00 175.10 176.38 2dmh s ALA 94 N 1.42 3.49 -1.82 5.51 0.00 -1.26 -0.60 121.76 128.49 2dmh s ALA 94 Ca 0.02 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.76 2dmh s ALA 94 Cb -0.22 -3.78 0.01 0.00 0.00 0.00 0.00 23.12 19.13 2dmh s ALA 94 CO 0.02 -1.60 0.92 1.28 0.00 0.00 0.00 175.76 176.38 2dmh n LEU 95 N 7.67 0.24 0.10 0.00 4.77 -0.68 -3.71 117.00 125.39 2dmh n LEU 95 Ca 0.18 -0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2dmh n LEU 95 Cb 0.44 -0.10 0.44 0.00 -2.33 0.00 0.00 43.42 41.87 2dmh n LEU 95 CO 0.63 0.06 0.80 2.29 -1.33 0.00 0.00 177.39 179.84 2dmh n LYS 96 N -0.38 0.13 -0.01 3.23 2.85 -1.25 -1.46 118.16 121.28 2dmh n LYS 96 Ca 0.00 0.43 -0.03 0.00 -1.05 0.00 0.00 58.31 57.67 2dmh n LYS 96 Cb 0.05 -1.79 -0.12 0.00 -0.65 0.00 0.00 35.03 32.53 2dmh n LYS 96 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dmh n ASP 97 N -2.04 0.67 0.10 -5.58 8.00 -1.24 -4.11 116.55 112.35 2dmh n ASP 97 Ca 0.02 0.30 0.07 0.00 0.71 0.00 0.00 54.79 55.89 2dmh n ASP 97 Cb 0.17 0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2dmh n ASP 97 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2dmh h LEU 98 N 0.00 0.00 -9.38 0.64 3.38 -1.66 -3.48 115.31 104.81 2dmh h LEU 98 Ca -0.25 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.16 2dmh h LEU 98 Cb 1.76 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.72 2dmh h LEU 98 CO 0.05 0.22 -0.97 0.35 0.09 0.00 0.00 178.44 178.18 2dmh n THR 99 N -2.85 0.63 -1.02 0.22 -2.24 -0.53 -4.64 114.28 103.85 2dmh n THR 99 Ca -0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2dmh n THR 99 Cb 0.65 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 2.28 0.13 1.08 3.38 0.00 -1.26 -4.90 105.19 105.90 2dmh n GLY 100 Ca 0.06 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 3.00 3.43 -4.24 1.61 -0.08 -1.26 -4.87 116.55 114.14 2dmh n ASP 101 Ca 0.00 -1.96 -0.13 0.00 -1.51 0.00 0.00 54.79 51.19 2dmh n ASP 101 Cb 0.00 -0.31 -0.10 0.00 2.34 0.00 0.00 41.12 43.05 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 -1.19 1.08 0.02 -0.67 -1.52 -1.26 -4.86 119.66 111.25 2dmh s GLN 102 Ca 0.37 -1.50 -0.30 0.00 -1.95 0.00 0.00 55.36 51.98 2dmh s GLN 102 Cb 0.21 -0.35 -0.04 0.00 -0.22 0.00 0.00 33.01 32.61 2dmh s GLN 102 CO 0.28 -0.07 1.06 0.45 -0.25 0.00 0.00 175.29 176.76 2dmh s SER 103 N -3.16 7.26 -0.08 5.90 0.15 -1.26 -4.64 113.70 117.87 2dmh s SER 103 Ca 0.21 1.79 -0.03 0.00 0.70 0.00 0.00 55.95 58.62 2dmh s SER 103 Cb 0.05 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2dmh s SER 103 CO 0.02 -0.34 0.12 -0.60 1.20 0.00 0.00 173.24 173.64 2dmh s ARG 104 N 1.06 0.00 -0.36 5.44 3.52 -1.02 -4.97 118.95 122.62 2dmh s ARG 104 Ca 0.54 0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 56.55 2dmh s ARG 104 Cb -0.24 -0.50 0.07 0.00 -1.56 0.00 0.00 34.95 32.72 2dmh s ARG 104 CO 0.28 -0.35 0.12 -1.54 -0.81 0.00 0.00 175.30 173.00 2dmh s SER 105 N 2.24 5.19 -0.26 -2.12 1.04 -1.26 -2.03 113.70 116.50 2dmh s SER 105 Ca 0.04 -1.52 -0.08 0.00 0.48 0.00 0.00 55.95 54.86 2dmh s SER 105 Cb -0.12 -1.81 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 2dmh s SER 105 CO -0.05 -0.40 0.10 -0.76 0.98 0.00 0.00 173.24 173.10 2dmh s LEU 106 N 1.27 3.57 -0.45 2.42 1.43 -1.07 -4.98 118.68 120.86 2dmh s LEU 106 Ca 0.01 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 2dmh s LEU 106 Cb -0.21 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2dmh s LEU 106 CO -0.01 -0.04 1.77 -2.16 0.23 0.00 0.00 176.35 176.14 2dmh s PRO 107 N 1.64 3.09 -0.63 1.29 0.04 -1.26 -3.74 135.00 135.43 2dmh s PRO 107 Ca 0.07 1.03 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 2dmh s PRO 107 Cb -0.15 -4.25 0.07 0.00 0.04 0.00 0.00 34.50 30.21 2dmh s PRO 107 CO 0.05 -2.16 0.91 0.71 0.04 0.00 0.00 177.00 176.55 2dmh s TYR 108 N 7.54 2.74 0.32 0.56 2.02 0.15 -4.98 117.35 125.70 2dmh s TYR 108 Ca 0.72 -0.57 0.08 0.00 -0.37 0.00 0.00 57.07 56.92 2dmh s TYR 108 Cb -0.17 -4.21 -0.06 0.00 -0.40 0.00 0.00 41.96 37.12 2dmh s TYR 108 CO 0.28 -1.55 -0.06 0.15 -1.57 0.00 0.00 175.55 172.80 2dmh s LYS 109 N 3.79 1.69 -1.09 -0.62 1.02 -1.26 -0.30 119.74 122.97 2dmh s LYS 109 Ca 0.21 -1.87 -0.05 0.00 0.02 0.00 0.00 55.97 54.27 2dmh s LYS 109 Cb -0.18 -1.38 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 2dmh s LYS 109 CO 0.10 0.06 0.67 1.28 -0.92 0.00 0.00 175.35 176.54 2dmh n LEU 110 N -0.70 -2.73 -4.66 3.17 4.77 -1.26 -4.97 117.00 110.63 2dmh n LEU 110 Ca -0.05 -0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 2dmh n LEU 110 Cb 0.64 -2.38 -0.04 0.00 -2.33 0.00 0.00 43.42 39.31 2dmh n LEU 110 CO 0.42 0.34 0.67 -0.63 -1.33 0.00 0.00 177.39 176.85 2dmh s ILE 111 N -3.13 4.83 -0.19 -0.08 1.01 -1.25 -4.96 121.20 117.43 2dmh s ILE 111 Ca 0.33 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 2dmh s ILE 111 Cb -0.15 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2dmh s ILE 111 CO 0.41 -0.05 1.10 -0.44 0.00 0.00 0.00 174.94 175.97 2dmh s SER 112 N 1.25 7.07 0.21 3.58 0.01 -1.26 -3.44 113.70 121.13 2dmh s SER 112 Ca 0.37 1.49 -0.19 0.00 1.31 0.00 0.00 55.95 58.93 2dmh s SER 112 Cb -0.16 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.45 2dmh s SER 112 CO 0.09 -0.67 0.71 -0.76 0.41 0.00 0.00 173.24 173.02 2dmh s LEU 113 N 3.11 4.35 -0.00 2.44 1.43 -0.79 -4.83 118.68 124.39 2dmh s LEU 113 Ca 0.48 1.39 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 2dmh s LEU 113 Cb -0.17 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 2dmh s LEU 113 CO 0.10 0.05 -0.18 -0.76 0.23 0.00 0.00 176.35 175.79 2dmh s LEU 114 N -1.94 2.06 1.18 1.79 1.43 -0.57 -0.40 118.68 122.22 2dmh s LEU 114 Ca 0.42 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 2dmh s LEU 114 Cb -0.17 -0.91 0.29 0.00 0.03 0.00 0.00 46.19 45.43 2dmh s LEU 114 CO 0.21 0.20 1.17 0.54 0.23 0.00 0.00 176.35 178.70 2dmh s ASN 115 N -0.54 1.12 0.19 2.29 2.20 -1.16 0.19 114.94 119.23 2dmh s ASN 115 Ca 0.07 0.45 0.11 0.00 -0.94 0.00 0.00 52.86 52.55 2dmh s ASN 115 Cb -0.07 -0.57 0.59 0.00 -2.00 0.00 0.00 41.25 39.20 2dmh s ASN 115 CO -0.00 -3.98 1.28 -1.84 -2.94 0.00 0.00 177.10 169.62 2dmh n GLU 116 N -4.64 0.07 0.03 3.55 0.28 -1.26 0.16 120.64 118.84 2dmh n GLU 116 Ca 0.15 0.54 0.06 0.00 -0.16 0.00 0.00 57.16 57.75 2dmh n GLU 116 Cb 0.60 -1.82 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 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 -1.87 0.63 -0.46 3.44 4.76 -1.26 -4.98 118.16 118.42 2dmh n LYS 117 Ca -0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2dmh n LYS 117 Cb 0.10 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 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 1.31 1.10 3.52 0.72 0.00 0.12 -5.08 105.19 106.89 2dmh n GLY 118 Ca -0.07 -0.32 -0.34 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 -1.23 3.75 -0.57 1.61 -1.52 -1.26 -4.82 119.66 115.62 2dmh s GLN 119 Ca 0.00 -0.46 -0.35 0.00 -1.95 0.00 0.00 55.36 52.59 2dmh s GLN 119 Cb 0.00 -3.09 -0.17 0.00 -0.22 0.00 0.00 33.01 29.53 2dmh s GLN 119 CO 0.00 0.15 2.03 -0.40 -0.25 0.00 0.00 175.29 176.82 2dmh n ASP 120 N 3.84 0.54 0.20 5.90 5.75 -1.26 -2.99 116.55 128.53 2dmh n ASP 120 Ca -0.17 0.47 0.06 0.00 -0.01 0.00 0.00 54.79 55.15 2dmh n ASP 120 Cb 0.52 -0.80 0.40 0.00 -1.03 0.00 0.00 41.12 40.21 2dmh n ASP 120 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2dmh h THR 121 N 6.42 0.89 0.00 2.12 1.35 -1.04 -3.47 112.91 119.17 2dmh h THR 121 Ca -0.08 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2dmh h THR 121 Cb 1.22 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 2dmh h THR 121 CO 1.04 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 177.24 2dmh n GLY 122 N -0.01 1.01 3.32 5.82 0.00 -1.26 -4.79 105.19 109.27 2dmh n GLY 122 Ca -0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 2.13 -0.03 4.61 0.00 -1.16 -4.53 121.76 120.78 2dmh s ALA 123 Ca 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.81 2dmh s ALA 123 Cb 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2dmh s ALA 123 CO 0.00 0.50 -0.17 0.95 0.00 0.00 0.00 175.76 177.04 2dmh s THR 124 N -0.77 1.39 -0.02 0.00 -4.23 -0.18 -1.88 115.64 109.95 2dmh s THR 124 Ca 0.11 -0.72 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 2dmh s THR 124 Cb -0.10 -1.17 -0.00 0.00 1.34 0.00 0.00 72.50 72.57 2dmh s THR 124 CO 0.02 0.40 -0.12 -0.51 -0.54 0.00 0.00 174.62 173.86 2dmh s ILE 125 N -0.18 0.97 -0.21 2.99 2.07 -1.22 -0.47 121.20 125.15 2dmh s ILE 125 Ca 0.01 -0.50 -0.12 0.00 -1.41 0.00 0.00 60.65 58.64 2dmh s ILE 125 Cb -0.09 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.62 2dmh s ILE 125 CO 0.01 0.29 0.21 -1.81 -1.91 0.00 0.00 174.94 171.72 2dmh s ASP 126 N -0.07 6.24 0.01 4.50 1.01 -0.29 -3.82 116.67 124.25 2dmh s ASP 126 Ca 0.01 0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.54 2dmh s ASP 126 Cb -0.07 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 2dmh s ASP 126 CO 0.00 0.07 -0.04 -0.76 0.21 0.00 0.00 175.17 174.65 2dmh s LEU 127 N 0.85 2.09 -0.33 1.23 1.43 0.59 -2.35 118.68 122.19 2dmh s LEU 127 Ca 0.11 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 2dmh s LEU 127 Cb -0.13 -0.14 0.10 0.00 0.03 0.00 0.00 46.19 46.05 2dmh s LEU 127 CO 0.03 -0.05 0.04 -0.69 0.23 0.00 0.00 176.35 175.91 2dmh s VAL 128 N -0.52 2.11 -0.07 -1.59 1.01 -0.12 0.34 120.40 121.56 2dmh s VAL 128 Ca -0.03 -2.17 -0.12 0.00 0.00 0.00 0.00 61.98 59.66 2dmh s VAL 128 Cb -0.04 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2dmh s VAL 128 CO -0.00 -0.55 0.30 -0.63 0.00 0.00 0.00 175.10 174.21 2dmh s ILE 129 N 1.00 5.24 -0.09 2.22 1.01 -1.25 -1.45 121.20 127.89 2dmh s ILE 129 Ca 0.09 0.57 0.02 0.00 0.00 0.00 0.00 60.65 61.33 2dmh s ILE 129 Cb -0.19 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.70 2dmh s ILE 129 CO -0.10 0.55 -0.12 -0.83 0.00 0.00 0.00 174.94 174.44 2dmh s GLY 130 N -0.72 0.89 -0.05 6.18 0.00 -0.47 -2.59 107.32 110.56 2dmh s GLY 130 Ca 0.19 -0.56 -0.16 0.00 0.00 0.00 0.00 44.72 44.20 2dmh s GLY 130 CO 0.08 0.29 0.42 -0.47 0.00 0.00 0.00 173.10 173.43 2dmh s TYR 131 N 0.98 3.63 -0.22 1.90 5.04 -0.86 -2.77 117.35 125.06 2dmh s TYR 131 Ca -0.08 0.93 -0.02 0.00 -2.44 0.00 0.00 57.07 55.45 2dmh s TYR 131 Cb -0.15 -2.39 0.07 0.00 0.35 0.00 0.00 41.96 39.85 2dmh s TYR 131 CO -0.01 0.44 0.05 0.34 -1.34 0.00 0.00 175.55 175.04 2dmh s ASP 132 N -0.36 3.19 0.31 4.32 2.15 -1.25 -2.42 116.67 122.61 2dmh s ASP 132 Ca 0.24 -1.02 -0.29 0.00 0.43 0.00 0.00 52.55 51.91 2dmh s ASP 132 Cb -0.16 -0.65 -0.10 0.00 -0.30 0.00 0.00 42.92 41.71 2dmh s ASP 132 CO 0.11 -0.33 1.23 -2.16 -0.17 0.00 0.00 175.17 173.85 2dmh s PRO 133 N 1.81 4.46 0.27 4.34 0.04 -1.26 -2.84 135.00 141.82 2dmh s PRO 133 Ca 0.01 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2dmh s PRO 133 Cb -0.17 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 2dmh s PRO 133 CO -0.13 -0.04 1.26 -1.25 0.04 0.00 0.00 177.00 176.87 2dmh s PRO 134 N -1.57 4.44 -0.86 0.56 0.04 -1.26 -4.47 135.00 131.88 2dmh s PRO 134 Ca 0.48 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 63.40 2dmh s PRO 134 Cb -0.37 -3.14 0.15 0.00 0.04 0.00 0.00 34.50 31.18 2dmh s PRO 134 CO 0.48 -0.11 0.97 -1.54 0.04 0.00 0.00 177.00 176.84 2dmh s SER 135 N -0.29 6.61 1.10 6.66 1.04 -1.26 -4.85 113.70 122.71 2dmh s SER 135 Ca 0.50 -2.14 -0.12 0.00 0.48 0.00 0.00 55.95 54.67 2dmh s SER 135 Cb -0.37 -2.33 0.25 0.00 0.10 0.00 0.00 66.02 63.67 2dmh s SER 135 CO 0.45 -0.94 1.06 -0.83 0.98 0.00 0.00 173.24 173.96 2dmh s GLY 136 N 3.20 1.58 -0.88 7.32 0.00 -1.26 -4.84 107.32 112.44 2dmh s GLY 136 Ca 0.26 0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.78 2dmh s GLY 136 CO -0.07 0.69 1.94 2.56 0.00 0.00 0.00 173.10 178.22 2dmh s PRO 137 N -4.52 2.56 -0.17 2.90 0.04 -1.26 -4.89 135.00 129.66 2dmh s PRO 137 Ca 0.68 -0.22 -0.10 0.00 0.04 0.00 0.00 61.00 61.40 2dmh s PRO 137 Cb -0.24 -5.01 0.06 0.00 0.04 0.00 0.00 34.50 29.34 2dmh s PRO 137 CO 0.63 -3.32 0.41 -1.12 0.04 0.00 0.00 177.00 173.64 2dmh s SER 138 N 8.03 -0.50 0.07 6.66 0.01 -1.26 -5.14 113.70 121.56 2dmh s SER 138 Ca 0.70 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 58.54 2dmh s SER 138 Cb -0.07 0.79 -0.06 0.00 0.21 0.00 0.00 66.02 66.89 2dmh s SER 138 CO 0.01 -0.18 1.17 -0.55 0.41 0.00 0.00 173.24 174.09 2dmh s SER 139 N 1.19 7.12 0.00 2.44 0.15 -1.26 -5.20 113.70 118.14 2dmh s SER 139 Ca -0.08 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.57 2dmh s SER 139 Cb -0.07 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2dmh s SER 139 CO -0.10 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.52