#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dtc n THR 2 N 0.00 0.06 -3.65 3.45 -1.04 0.14 -5.01 114.28 108.23 2dtc n THR 2 Ca 0.00 -0.03 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 2dtc n THR 2 Cb 0.00 -0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 2dtc n THR 2 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dtc s GLU 4 N -3.02 0.04 0.00 -2.82 2.02 -1.26 -5.01 118.70 108.65 2dtc s GLU 4 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2dtc s GLU 4 Cb 0.18 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2dtc s GLU 4 CO 0.62 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.29 2dtc n GLY 5 N 0.42 1.45 3.68 -1.39 0.00 -0.71 -5.00 105.19 103.64 2dtc n GLY 5 Ca 0.01 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2dtc n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dtc s PRO 6 N -2.00 4.36 0.06 1.61 0.04 -1.26 -1.23 135.00 136.57 2dtc s PRO 6 Ca 0.00 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2dtc s PRO 6 Cb 0.00 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 2dtc s PRO 6 CO 0.00 -0.31 -0.11 -0.51 0.04 0.00 0.00 177.00 176.11 2dtc s LEU 7 N 2.05 2.28 -0.09 -3.56 1.43 -0.26 -4.77 118.68 115.76 2dtc s LEU 7 Ca 0.43 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2dtc s LEU 7 Cb -0.17 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 2dtc s LEU 7 CO 0.15 -0.16 -0.05 -0.13 0.23 0.00 0.00 176.35 176.39 2dtc s ARG 8 N -1.81 3.01 0.00 1.70 3.00 -0.68 -0.90 118.95 123.27 2dtc s ARG 8 Ca -0.05 -0.51 0.08 0.00 0.00 0.00 0.00 55.73 55.25 2dtc s ARG 8 Cb -0.09 -2.70 -0.02 0.00 0.00 0.00 0.00 34.95 32.13 2dtc s ARG 8 CO 0.01 0.57 -0.25 0.50 0.00 0.00 0.00 175.30 176.14 2dtc s ARG 9 N -0.55 1.90 -0.07 3.54 3.52 -0.20 -0.71 118.95 126.38 2dtc s ARG 9 Ca 0.08 -0.94 0.03 0.00 -0.13 0.00 0.00 55.73 54.77 2dtc s ARG 9 Cb -0.12 -1.91 0.01 0.00 -1.56 0.00 0.00 34.95 31.37 2dtc s ARG 9 CO 0.02 0.51 -0.16 0.21 -0.81 0.00 0.00 175.30 175.07 2dtc s LYS 10 N -0.79 2.04 -0.20 5.12 2.20 -0.11 -0.96 119.74 127.04 2dtc s LYS 10 Ca 0.10 -0.56 -0.20 0.00 -0.36 0.00 0.00 55.97 54.95 2dtc s LYS 10 Cb -0.10 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.55 2dtc s LYS 10 CO 0.00 0.11 0.59 0.99 -0.36 0.00 0.00 175.35 176.68 2dtc s THR 11 N 0.46 5.05 -0.17 3.43 2.01 -1.26 -1.31 115.64 123.85 2dtc s THR 11 Ca -0.14 1.11 0.11 0.00 0.31 0.00 0.00 61.69 63.08 2dtc s THR 11 Cb -0.15 -3.91 -0.23 0.00 0.01 0.00 0.00 72.50 68.21 2dtc s THR 11 CO 0.05 0.13 0.19 0.18 -0.69 0.00 0.00 174.62 174.47 2dtc n LEU 12 N 4.98 1.07 -3.75 4.42 4.77 0.14 -4.63 117.00 124.00 2dtc n LEU 12 Ca -0.02 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 2dtc n LEU 12 Cb 0.50 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 2dtc n LEU 12 CO 0.43 0.60 -0.03 -0.76 -1.33 0.00 0.00 177.39 176.30 2dtc s LEU 13 N -6.00 0.62 -0.06 2.23 1.43 -1.03 -4.33 118.68 111.54 2dtc s LEU 13 Ca -0.15 0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2dtc s LEU 13 Cb 0.07 1.06 0.03 0.00 0.03 0.00 0.00 46.19 47.38 2dtc s LEU 13 CO 0.78 -0.13 0.02 -0.75 0.23 0.00 0.00 176.35 176.50 2dtc s LYS 14 N 0.50 0.40 -1.47 1.70 2.20 -0.30 -0.86 119.74 121.91 2dtc s LYS 14 Ca -0.03 0.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.70 2dtc s LYS 14 Cb -0.04 -0.86 0.02 0.00 -1.51 0.00 0.00 37.83 35.44 2dtc s LYS 14 CO -0.03 -0.32 0.55 0.39 -0.36 0.00 0.00 175.35 175.59 2dtc n GLU 15 N 5.19 -4.37 -0.92 4.03 1.02 -0.83 -1.86 120.64 122.91 2dtc n GLU 15 Ca -0.06 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 2dtc n GLU 15 Cb 0.50 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 2dtc n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dtc n GLY 16 N -1.40 0.83 3.19 0.62 0.00 0.23 -5.01 105.19 103.65 2dtc n GLY 16 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2dtc n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dtc s ARG 17 N -0.08 0.88 0.14 1.61 1.70 -0.78 -5.06 118.95 117.36 2dtc s ARG 17 Ca 0.00 -1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 53.96 2dtc s ARG 17 Cb 0.00 -0.92 -0.07 0.00 -0.57 0.00 0.00 34.95 33.38 2dtc s ARG 17 CO 0.00 0.21 1.25 0.15 -1.08 0.00 0.00 175.30 175.82 2dtc s LYS 18 N -1.80 4.43 0.72 3.89 1.02 -1.26 -1.15 119.74 125.59 2dtc s LYS 18 Ca -0.00 1.91 -0.14 0.00 0.02 0.00 0.00 55.97 57.76 2dtc s LYS 18 Cb -0.10 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2dtc s LYS 18 CO 0.03 -0.21 1.14 -2.14 -0.92 0.00 0.00 175.35 173.24 2dtc s PRO 19 N 0.34 2.38 0.15 -1.68 0.02 -1.26 -4.91 135.00 130.04 2dtc s PRO 19 Ca 0.57 1.49 -0.17 0.00 0.02 0.00 0.00 61.00 62.91 2dtc s PRO 19 Cb -0.33 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.36 2dtc s PRO 19 CO 0.34 -1.59 1.73 0.00 -0.33 0.00 0.00 177.00 177.14 2dtc h ALA 20 N -0.38 0.35 -3.18 -1.55 0.00 -1.98 -3.39 119.26 109.14 2dtc h ALA 20 Ca -0.46 0.07 -0.55 0.00 0.00 0.00 0.00 54.91 53.97 2dtc h ALA 20 Cb 1.26 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.78 2dtc h ALA 20 CO 0.51 -0.34 -0.81 -0.51 0.00 0.00 0.00 179.25 178.10 2dtc s LEU 21 N -10.38 1.37 -0.62 0.00 1.43 -1.26 -5.07 118.68 104.15 2dtc s LEU 21 Ca -0.13 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2dtc s LEU 21 Cb 0.12 -0.94 0.16 0.00 0.03 0.00 0.00 46.19 45.56 2dtc s LEU 21 CO 0.71 -0.09 0.43 -0.94 0.23 0.00 0.00 176.35 176.69 2dtc s SER 22 N 1.55 5.14 0.39 2.29 1.04 -1.26 -4.96 113.70 117.89 2dtc s SER 22 Ca 0.03 -2.89 0.08 0.00 0.48 0.00 0.00 55.95 53.65 2dtc s SER 22 Cb -0.13 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2dtc s SER 22 CO -0.08 -0.35 0.32 -0.94 0.98 0.00 0.00 173.24 173.17 2dtc s SER 23 N 0.55 4.99 0.30 7.02 1.04 -1.26 -4.86 113.70 121.48 2dtc s SER 23 Ca 0.17 -0.74 -0.23 0.00 0.48 0.00 0.00 55.95 55.64 2dtc s SER 23 Cb -0.21 -0.65 -0.09 0.00 0.10 0.00 0.00 66.02 65.16 2dtc s SER 23 CO -0.03 -0.55 0.86 0.26 0.98 0.00 0.00 173.24 174.77 2dtc s TRP 24 N -2.45 3.62 -0.04 5.02 0.52 -1.26 -4.39 118.94 119.96 2dtc s TRP 24 Ca 0.45 1.61 0.03 0.00 0.02 0.00 0.00 56.10 58.21 2dtc s TRP 24 Cb -0.03 -2.80 0.00 0.00 -1.15 0.00 0.00 33.47 29.50 2dtc s TRP 24 CO 0.27 0.21 -0.13 0.99 0.02 0.00 0.00 176.95 178.30 2dtc s THR 25 N -1.67 1.16 0.04 2.01 2.01 -0.13 -4.91 115.64 114.15 2dtc s THR 25 Ca 0.49 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 2dtc s THR 25 Cb -0.17 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2dtc s THR 25 CO 0.21 0.35 0.85 -0.13 -0.69 0.00 0.00 174.62 175.21 2dtc s ARG 26 N 0.26 4.56 0.09 4.92 0.52 -1.26 -1.04 118.95 127.01 2dtc s ARG 26 Ca -0.07 1.22 -0.08 0.00 -0.52 0.00 0.00 55.73 56.28 2dtc s ARG 26 Cb -0.12 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 2dtc s ARG 26 CO 0.02 0.18 0.18 0.71 0.02 0.00 0.00 175.30 176.41 2dtc s TYR 27 N 0.24 0.21 -0.20 -0.53 2.02 -0.08 -3.54 117.35 115.47 2dtc s TYR 27 Ca 0.43 -0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 56.42 2dtc s TYR 27 Cb -0.21 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.23 2dtc s TYR 27 CO 0.25 -0.54 0.04 -0.46 -1.57 0.00 0.00 175.55 173.27 2dtc s TRP 28 N -3.87 3.13 -0.07 2.71 -0.11 -0.34 -1.10 118.94 119.28 2dtc s TRP 28 Ca 0.06 -0.21 0.04 0.00 1.22 0.00 0.00 56.10 57.21 2dtc s TRP 28 Cb 0.05 -2.11 -0.02 0.00 -1.50 0.00 0.00 33.47 29.89 2dtc s TRP 28 CO -0.10 -0.09 -0.19 0.08 -4.62 0.00 0.00 176.95 172.03 2dtc s VAL 29 N 0.84 2.58 -0.09 5.86 1.01 -0.37 -0.49 120.40 129.73 2dtc s VAL 29 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2dtc s VAL 29 Cb -0.14 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.26 2dtc s VAL 29 CO 0.02 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.80 2dtc s VAL 30 N -0.26 1.74 -0.33 2.92 1.01 -0.15 -1.73 120.40 123.60 2dtc s VAL 30 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 2dtc s VAL 30 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2dtc s VAL 30 CO 0.03 0.49 0.18 -0.22 0.00 0.00 0.00 175.10 175.57 2dtc s LEU 31 N 0.52 4.34 -0.26 3.92 2.96 -1.26 -0.72 118.68 128.18 2dtc s LEU 31 Ca -0.16 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2dtc s LEU 31 Cb -0.17 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.56 2dtc s LEU 31 CO 0.06 -0.26 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.18 2dtc s SER 32 N 1.60 4.43 1.73 3.68 0.15 -0.07 -0.69 113.70 124.52 2dtc s SER 32 Ca 0.04 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.37 2dtc s SER 32 Cb -0.18 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 2dtc s SER 32 CO 0.07 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dtc n GLY 33 N 4.48 3.82 0.67 9.45 0.00 -1.26 -0.91 105.19 121.44 2dtc n GLY 33 Ca -0.14 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 45.92 2dtc n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dtc n ALA 34 N 11.91 3.25 -2.85 4.61 0.00 -1.26 -4.78 120.51 131.39 2dtc n ALA 34 Ca 0.00 -2.81 -0.32 0.00 0.00 0.00 0.00 53.44 50.30 2dtc n ALA 34 Cb 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 2dtc n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dtc s THR 35 N -3.03 2.78 -0.19 0.00 2.01 -0.08 -0.34 115.64 116.79 2dtc s THR 35 Ca 0.39 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 2dtc s THR 35 Cb 0.35 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2dtc s THR 35 CO 0.02 0.56 0.19 -0.76 -0.69 0.00 0.00 174.62 173.93 2dtc s LEU 36 N -0.06 4.22 -0.11 4.42 1.43 0.67 -0.90 118.68 128.35 2dtc s LEU 36 Ca -0.04 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 2dtc s LEU 36 Cb -0.14 -2.19 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2dtc s LEU 36 CO 0.04 0.15 -0.12 -0.76 0.23 0.00 0.00 176.35 175.89 2dtc s LEU 37 N 0.41 2.79 -0.14 1.79 2.01 0.10 -0.83 118.68 124.81 2dtc s LEU 37 Ca 0.11 -0.26 -0.01 0.00 0.01 0.00 0.00 54.13 53.98 2dtc s LEU 37 Cb -0.12 -1.62 -0.01 0.00 0.01 0.00 0.00 46.19 44.45 2dtc s LEU 37 CO 0.00 0.22 -0.12 -0.31 1.01 0.00 0.00 176.35 177.16 2dtc s TYR 38 N 0.01 2.84 -0.21 0.29 2.02 -0.48 -0.98 117.35 120.85 2dtc s TYR 38 Ca -0.04 -0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 55.98 2dtc s TYR 38 Cb -0.14 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2dtc s TYR 38 CO 0.04 -0.24 -0.09 0.71 -1.57 0.00 0.00 175.55 174.40 2dtc s TYR 39 N 0.48 2.92 0.84 2.71 2.02 0.35 -0.20 117.35 126.47 2dtc s TYR 39 Ca -0.08 -1.21 -0.11 0.00 -0.37 0.00 0.00 57.07 55.29 2dtc s TYR 39 Cb -0.16 -2.05 0.10 0.00 -0.40 0.00 0.00 41.96 39.46 2dtc s TYR 39 CO 0.04 -0.65 1.09 0.20 -1.57 0.00 0.00 175.55 174.67 2dtc s GLY 40 N 1.41 1.64 0.51 0.71 0.00 -1.26 -1.20 107.32 109.13 2dtc s GLY 40 Ca 0.05 0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.67 2dtc s GLY 40 CO -0.06 0.53 1.10 0.00 0.00 0.00 0.00 173.10 174.66 2dtc s ALA 41 N -2.91 2.80 -0.08 3.20 0.00 -1.23 -0.68 121.76 122.86 2dtc s ALA 41 Ca 0.63 0.75 0.14 0.00 0.00 0.00 0.00 51.96 53.48 2dtc s ALA 41 Cb -0.18 -3.32 -0.22 0.00 0.00 0.00 0.00 23.12 19.40 2dtc s ALA 41 CO 0.57 -0.57 0.59 1.63 0.00 0.00 0.00 175.76 177.97 2dtc n LYS 42 N -1.06 0.64 -1.48 0.00 5.02 -0.00 -4.72 118.16 116.56 2dtc n LYS 42 Ca 0.10 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2dtc n LYS 42 Cb 0.51 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2dtc n LYS 42 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2dtc n SER 43 N -2.97 0.64 -0.22 4.39 3.41 -1.26 -5.06 113.62 112.55 2dtc n SER 43 Ca -0.18 -0.74 0.12 0.00 -0.26 0.00 0.00 58.87 57.80 2dtc n SER 43 Cb 1.04 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 65.13 2dtc n SER 43 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dtc n LEU 44 N 0.00 1.20 -3.85 1.04 4.77 -1.26 -4.94 117.00 113.95 2dtc n LEU 44 Ca 0.00 -0.40 -0.11 0.00 -0.03 0.00 0.00 56.01 55.47 2dtc n LEU 44 Cb 0.00 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 2dtc n LEU 44 CO 0.00 0.24 -0.16 -0.60 -1.33 0.00 0.00 177.39 175.54 2dtc s ARG 45 N -2.69 0.46 0.00 3.23 3.52 -1.26 -5.14 118.95 117.06 2dtc s ARG 45 Ca 0.17 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 2dtc s ARG 45 Cb 0.18 0.19 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 2dtc s ARG 45 CO 0.64 -0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.43 2dtc n GLY 46 N 1.67 3.86 0.01 8.12 0.00 -1.26 -5.00 105.19 112.59 2dtc n GLY 46 Ca -0.21 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2dtc n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dtc n THR 47 N -0.34 0.78 -2.26 2.61 -2.24 -1.26 -4.91 114.28 106.67 2dtc n THR 47 Ca 0.00 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.68 2dtc n THR 47 Cb 0.00 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2dtc n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dtc s ASP 48 N -0.84 6.32 0.32 3.42 1.11 -1.26 -4.60 116.67 121.13 2dtc s ASP 48 Ca 0.01 1.27 0.05 0.00 0.18 0.00 0.00 52.55 54.05 2dtc s ASP 48 Cb 0.01 -2.39 0.67 0.00 1.07 0.00 0.00 42.92 42.28 2dtc s ASP 48 CO 0.00 -0.70 1.86 -0.09 1.18 0.00 0.00 175.17 177.41 2dtc h ARG 49 N 0.15 0.84 0.00 8.23 9.65 -1.97 -0.74 114.38 130.54 2dtc h ARG 49 Ca -0.46 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 2dtc h ARG 49 Cb 1.19 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 2dtc h ARG 49 CO 0.62 0.55 0.00 1.57 2.80 0.00 0.00 179.97 185.51 2dtc h LYS 50 N 0.86 0.00 -0.04 0.20 2.10 -1.98 -1.71 116.57 116.01 2dtc h LYS 50 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 2dtc h LYS 50 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 2dtc h LYS 50 CO -0.23 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 177.94 2dtc n HIS 51 N -2.43 0.05 -4.34 0.07 8.25 -0.28 -4.85 115.22 111.68 2dtc n HIS 51 Ca -0.00 -0.02 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 2dtc n HIS 51 Cb 0.12 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 2dtc n HIS 51 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2dtc s TYR 52 N -1.95 1.79 0.94 4.41 2.02 -0.64 -0.82 117.35 123.10 2dtc s TYR 52 Ca 0.35 -0.50 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 2dtc s TYR 52 Cb 0.17 -0.87 0.16 0.00 -0.40 0.00 0.00 41.96 41.02 2dtc s TYR 52 CO 0.27 0.35 1.13 0.15 -1.57 0.00 0.00 175.55 175.88 2dtc s LYS 53 N -3.07 0.81 0.13 -0.62 1.02 0.15 -4.82 119.74 113.33 2dtc s LYS 53 Ca 0.18 1.44 0.17 0.00 0.02 0.00 0.00 55.97 57.78 2dtc s LYS 53 Cb -0.04 -1.71 -0.07 0.00 -0.52 0.00 0.00 37.83 35.49 2dtc s LYS 53 CO 0.07 -2.74 1.01 0.77 -0.92 0.00 0.00 175.35 173.54 2dtc h SER 54 N -1.95 0.00 -3.35 2.83 0.02 -1.95 -3.45 113.55 105.69 2dtc h SER 54 Ca -0.45 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.85 2dtc h SER 54 Cb 1.28 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.61 2dtc h SER 54 CO 0.43 0.51 -0.67 0.28 -1.14 0.00 0.00 176.83 176.24 2dtc s THR 55 N -2.97 3.88 0.29 -2.27 -1.32 -1.26 -5.09 115.64 106.89 2dtc s THR 55 Ca -0.01 -0.37 -0.29 0.00 -1.21 0.00 0.00 61.69 59.81 2dtc s THR 55 Cb 0.08 -2.68 -0.10 0.00 -1.51 0.00 0.00 72.50 68.30 2dtc s THR 55 CO 0.79 0.52 1.26 -2.16 -2.21 0.00 0.00 174.62 172.82 2dtc s PRO 56 N 0.10 4.42 0.05 7.08 0.04 -1.26 -4.69 135.00 140.74 2dtc s PRO 56 Ca -0.01 2.09 0.23 0.00 0.04 0.00 0.00 61.00 63.35 2dtc s PRO 56 Cb -0.14 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.44 2dtc s PRO 56 CO 0.03 -0.12 1.13 0.41 0.04 0.00 0.00 177.00 178.49 2dtc n GLY 57 N 1.29 -1.24 3.19 0.56 0.00 0.72 -4.91 105.19 104.80 2dtc n GLY 57 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2dtc n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dtc s LYS 58 N -3.15 0.56 -0.07 1.61 1.02 -1.18 -5.01 119.74 113.52 2dtc s LYS 58 Ca 0.06 -0.12 -0.03 0.00 0.02 0.00 0.00 55.97 55.90 2dtc s LYS 58 Cb 0.15 0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.74 2dtc s LYS 58 CO 0.77 -0.14 0.12 0.21 -0.92 0.00 0.00 175.35 175.40 2dtc s LYS 59 N -1.04 -0.01 -0.05 1.68 2.20 -1.26 -1.38 119.74 119.89 2dtc s LYS 59 Ca -0.11 0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2dtc s LYS 59 Cb -0.05 -0.36 0.03 0.00 -1.51 0.00 0.00 37.83 35.94 2dtc s LYS 59 CO 0.03 -0.31 -0.00 0.08 -0.36 0.00 0.00 175.35 174.78 2dtc s VAL 60 N 2.23 0.27 0.07 4.02 1.01 -0.01 -4.97 120.40 123.03 2dtc s VAL 60 Ca 0.04 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 2dtc s VAL 60 Cb -0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2dtc s VAL 60 CO -0.05 0.20 0.96 -0.55 0.00 0.00 0.00 175.10 175.66 2dtc s SER 61 N 1.43 7.45 -0.22 3.32 0.15 -1.26 -0.24 113.70 124.33 2dtc s SER 61 Ca -0.04 1.74 0.14 0.00 0.70 0.00 0.00 55.95 58.49 2dtc s SER 61 Cb -0.13 -2.58 0.51 0.00 -1.71 0.00 0.00 66.02 62.11 2dtc s SER 61 CO -0.03 -0.12 1.43 2.30 1.20 0.00 0.00 173.24 178.02 2dtc n ILE 62 N 3.14 2.37 -1.80 6.45 -5.35 0.54 -4.96 119.36 119.76 2dtc n ILE 62 Ca 0.03 -2.21 -0.42 0.00 -0.27 0.00 0.00 62.75 59.88 2dtc n ILE 62 Cb 0.50 -0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.09 2dtc n ILE 62 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2dtc s VAL 63 N -2.99 2.35 0.00 7.28 1.01 -1.26 -1.58 120.40 125.20 2dtc s VAL 63 Ca 0.43 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2dtc s VAL 63 Cb 0.36 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.63 2dtc s VAL 63 CO 0.05 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2dtc n GLY 64 N 3.95 0.96 0.00 4.51 0.00 -0.04 -4.93 105.19 109.64 2dtc n GLY 64 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2dtc n GLY 64 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dtc n TRP 65 N -2.02 0.00 -3.61 1.61 7.02 -0.62 -4.29 117.44 115.53 2dtc n TRP 65 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 2dtc n TRP 65 Cb 0.00 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 2dtc n TRP 65 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 2dtc s VAL 67 N 0.00 0.00 0.05 -0.99 0.11 -1.26 -4.76 120.40 113.55 2dtc s VAL 67 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2dtc s VAL 67 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2dtc s VAL 67 CO 0.00 0.00 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.56 2dtc s GLN 68 N -0.26 0.70 -0.29 1.54 -0.21 0.22 -4.97 119.66 116.38 2dtc s GLN 68 Ca -0.00 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.63 2dtc s GLN 68 Cb -0.03 -0.61 0.07 0.00 1.00 0.00 0.00 33.01 33.43 2dtc s GLN 68 CO -0.01 0.14 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.75 2dtc s LEU 69 N -1.39 3.91 0.18 2.90 1.43 -1.26 -0.88 118.68 123.57 2dtc s LEU 69 Ca -0.04 -1.51 0.17 0.00 -1.03 0.00 0.00 54.13 51.72 2dtc s LEU 69 Cb -0.09 -1.63 0.80 0.00 0.03 0.00 0.00 46.19 45.30 2dtc s LEU 69 CO 0.01 -0.26 1.53 -0.81 0.23 0.00 0.00 176.35 177.05 2dtc n PRO 70 N 4.48 0.11 -3.98 1.29 -0.04 -1.26 -4.93 135.00 130.67 2dtc n PRO 70 Ca -0.10 0.46 -0.28 0.00 -0.04 0.00 0.00 63.50 63.54 2dtc n PRO 70 Cb 0.42 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 2dtc n PRO 70 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dtc n ASP 71 N -1.98 -0.82 -4.22 3.54 -0.08 -1.26 -4.93 116.55 106.80 2dtc n ASP 71 Ca 0.01 -1.06 -0.37 0.00 -1.51 0.00 0.00 54.79 51.86 2dtc n ASP 71 Cb 0.12 -2.81 -0.12 0.00 2.34 0.00 0.00 41.12 40.66 2dtc n ASP 71 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dtc s ASP 72 N -4.24 5.24 0.55 1.67 -1.08 -1.26 -4.98 116.67 112.57 2dtc s ASP 72 Ca 0.08 -1.36 0.37 0.00 -0.52 0.00 0.00 52.55 51.11 2dtc s ASP 72 Cb -0.03 -1.84 1.96 0.00 -1.46 0.00 0.00 42.92 41.55 2dtc s ASP 72 CO 0.91 -0.37 2.13 1.55 0.52 0.00 0.00 175.17 179.91 2dtc h PRO 73 N 8.16 0.00 -0.03 4.34 0.13 -1.96 -1.11 132.00 141.53 2dtc h PRO 73 Ca -0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.77 2dtc h PRO 73 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2dtc h PRO 73 CO 0.62 0.00 -0.65 1.49 -0.23 0.00 0.00 178.00 179.23 2dtc h GLU 74 N 0.00 0.13 -2.22 0.86 4.81 -2.01 -3.36 114.58 112.79 2dtc h GLU 74 Ca 0.00 -0.10 -0.58 0.00 -0.13 0.00 0.00 59.36 58.55 2dtc h GLU 74 Cb 0.07 0.02 -0.39 0.00 0.63 0.00 0.00 28.75 29.08 2dtc h GLU 74 CO 0.00 0.73 -0.99 0.72 -0.73 0.00 0.00 179.01 178.74 2dtc n HIS 75 N -3.81 -0.13 0.31 0.92 8.25 -0.45 -5.00 115.22 115.32 2dtc n HIS 75 Ca -0.02 -3.54 0.19 0.00 -0.26 0.00 0.00 57.72 54.10 2dtc n HIS 75 Cb 0.64 -0.13 1.03 0.00 1.12 0.00 0.00 29.99 32.66 2dtc n HIS 75 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2dtc h PRO 76 N 4.76 0.00 -0.59 -0.41 0.13 -1.63 -3.15 132.00 131.11 2dtc h PRO 76 Ca 0.17 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.08 2dtc h PRO 76 Cb 0.87 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.87 2dtc h PRO 76 CO 0.46 0.02 0.19 -0.40 -0.23 0.00 0.00 178.00 178.04 2dtc n ASP 77 N -3.28 3.85 -4.72 1.44 5.75 -1.26 -3.81 116.55 114.52 2dtc n ASP 77 Ca -0.02 -3.40 -0.30 0.00 -0.01 0.00 0.00 54.79 51.06 2dtc n ASP 77 Cb 0.13 -0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 39.45 2dtc n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2dtc s ILE 78 N -3.09 4.19 0.04 2.12 1.01 -1.19 -1.37 121.20 122.91 2dtc s ILE 78 Ca 0.50 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 2dtc s ILE 78 Cb 0.42 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2dtc s ILE 78 CO 0.09 0.12 -0.03 0.72 0.00 0.00 0.00 174.94 175.83 2dtc s PHE 79 N -1.34 0.46 0.01 3.97 -0.12 -0.83 -4.44 117.98 115.69 2dtc s PHE 79 Ca 0.27 -0.88 0.08 0.00 -0.05 0.00 0.00 56.93 56.35 2dtc s PHE 79 Cb -0.12 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2dtc s PHE 79 CO 0.20 -0.30 -0.24 -1.14 -0.05 0.00 0.00 175.22 173.69 2dtc s GLN 80 N -3.08 2.02 -0.06 1.99 0.74 -0.06 -0.95 119.66 120.26 2dtc s GLN 80 Ca -0.00 -0.99 0.04 0.00 0.05 0.00 0.00 55.36 54.46 2dtc s GLN 80 Cb 0.02 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 32.06 2dtc s GLN 80 CO -0.07 0.54 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.87 2dtc s LEU 81 N -1.01 1.89 0.02 3.68 2.96 0.58 -0.61 118.68 126.19 2dtc s LEU 81 Ca 0.12 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2dtc s LEU 81 Cb -0.10 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 2dtc s LEU 81 CO 0.01 0.13 -0.14 0.20 -1.32 0.00 0.00 176.35 175.24 2dtc s ASN 82 N 0.21 1.62 0.90 3.68 0.01 -1.26 -0.48 114.94 119.62 2dtc s ASN 82 Ca -0.09 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 51.58 2dtc s ASN 82 Cb -0.14 -0.14 0.14 0.00 0.41 0.00 0.00 41.25 41.52 2dtc s ASN 82 CO 0.04 0.10 1.18 0.54 -1.51 0.00 0.00 177.10 177.45 2dtc s ASN 83 N -0.75 3.61 0.24 -1.22 4.22 -0.41 -4.55 114.94 116.08 2dtc s ASN 83 Ca 0.03 0.76 -0.06 0.00 -2.14 0.00 0.00 52.86 51.45 2dtc s ASN 83 Cb -0.07 -1.19 0.43 0.00 1.28 0.00 0.00 41.25 41.71 2dtc s ASN 83 CO 0.00 -2.47 1.68 -0.65 -2.04 0.00 0.00 177.10 173.62 2dtc h PRO 84 N -1.45 0.22 -0.28 3.55 0.11 -1.92 -1.02 132.00 131.21 2dtc h PRO 84 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dtc h PRO 84 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2dtc h PRO 84 CO 0.57 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 2dtc n ASP 85 N -5.19 1.59 -2.04 -2.05 5.75 -1.26 -4.89 116.55 108.47 2dtc n ASP 85 Ca 0.13 -1.96 -0.17 0.00 -0.01 0.00 0.00 54.79 52.78 2dtc n ASP 85 Cb 0.45 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 2dtc n ASP 85 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2dtc n LYS 86 N 0.36 -1.68 0.05 0.11 5.02 -0.39 -4.84 118.16 116.79 2dtc n LYS 86 Ca 0.11 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.33 2dtc n LYS 86 Cb 0.26 -5.43 -0.06 0.00 -0.02 0.00 0.00 35.03 29.77 2dtc n LYS 86 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2dtc h GLY 87 N 0.00 0.00 -6.91 0.72 0.00 -1.90 -3.43 103.07 91.55 2dtc h GLY 87 Ca -0.39 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.27 2dtc h GLY 87 CO 0.50 0.00 -0.76 -1.31 0.00 0.00 0.00 176.54 174.97 2dtc s ASN 88 N -5.92 4.11 -0.03 0.19 -0.87 -1.26 -0.60 114.94 110.56 2dtc s ASN 88 Ca -0.02 -0.78 0.02 0.00 -1.57 0.00 0.00 52.86 50.52 2dtc s ASN 88 Cb 0.08 -1.64 0.01 0.00 -0.02 0.00 0.00 41.25 39.68 2dtc s ASN 88 CO 0.80 -0.09 -0.07 -0.69 -2.57 0.00 0.00 177.10 174.47 2dtc s VAL 89 N 1.34 0.70 0.05 1.60 1.01 -0.04 -1.28 120.40 123.77 2dtc s VAL 89 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2dtc s VAL 89 Cb -0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 2dtc s VAL 89 CO -0.06 0.23 -0.10 -0.31 0.00 0.00 0.00 175.10 174.87 2dtc s TYR 90 N 0.42 0.87 0.07 5.22 2.02 0.37 -0.68 117.35 125.64 2dtc s TYR 90 Ca -0.06 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 2dtc s TYR 90 Cb -0.10 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 2dtc s TYR 90 CO 0.01 -0.03 -0.09 0.15 -1.57 0.00 0.00 175.55 174.02 2dtc s LYS 91 N -1.54 2.27 -0.02 -0.62 1.02 -0.43 -0.31 119.74 120.12 2dtc s LYS 91 Ca -0.06 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.04 2dtc s LYS 91 Cb -0.09 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 2dtc s LYS 91 CO 0.01 0.54 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.78 2dtc s PHE 92 N -1.14 1.26 -0.12 3.18 0.08 -0.12 -0.93 117.98 120.18 2dtc s PHE 92 Ca 0.20 -0.27 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 2dtc s PHE 92 Cb -0.11 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 2dtc s PHE 92 CO 0.12 -0.06 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.50 2dtc s GLN 93 N -0.18 3.37 0.00 0.44 -0.21 0.11 -1.97 119.66 121.22 2dtc s GLN 93 Ca 0.02 -0.49 0.09 0.00 0.02 0.00 0.00 55.36 55.01 2dtc s GLN 93 Cb -0.07 -2.85 -0.08 0.00 1.00 0.00 0.00 33.01 31.01 2dtc s GLN 93 CO 0.00 0.43 0.39 0.25 -2.12 0.00 0.00 175.29 174.24 2dtc n THR 94 N 2.97 0.00 0.00 -0.19 -2.24 -0.47 -1.69 114.28 112.65 2dtc n THR 94 Ca -0.18 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2dtc n THR 94 Cb 0.53 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2dtc n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dtc n GLY 95 N 1.17 3.32 3.44 3.38 0.00 -1.26 -4.90 105.19 110.35 2dtc n GLY 95 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2dtc n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dtc s SER 96 N -0.73 -0.53 0.23 1.61 1.04 -1.26 -4.95 113.70 109.11 2dtc s SER 96 Ca 0.00 0.45 -0.08 0.00 0.48 0.00 0.00 55.95 56.80 2dtc s SER 96 Cb 0.00 0.50 0.23 0.00 0.10 0.00 0.00 66.02 66.85 2dtc s SER 96 CO 0.00 -0.64 1.89 -0.09 0.98 0.00 0.00 173.24 175.38 2dtc h ARG 97 N 3.00 1.10 -0.26 4.02 9.65 -1.90 -0.96 114.38 129.03 2dtc h ARG 97 Ca -0.29 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 58.57 2dtc h ARG 97 Cb 1.17 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 2dtc h ARG 97 CO 0.40 0.73 0.02 0.35 2.80 0.00 0.00 179.97 184.27 2dtc h PHE 98 N 1.14 0.03 0.00 2.20 3.57 -1.96 0.00 116.94 121.92 2dtc h PHE 98 Ca 0.33 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 2dtc h PHE 98 Cb -0.08 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2dtc h PHE 98 CO -0.01 -0.02 -0.34 0.45 -2.23 0.00 0.00 178.31 176.16 2dtc h HIS 99 N 0.11 0.00 -0.52 0.41 3.86 -1.81 -0.54 115.15 116.66 2dtc h HIS 99 Ca 0.12 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 2dtc h HIS 99 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2dtc h HIS 99 CO -0.19 0.34 0.14 0.00 0.86 0.00 0.00 177.93 179.08 2dtc h ALA 100 N 1.66 0.68 -0.59 2.45 0.00 -0.21 0.62 119.26 123.88 2dtc h ALA 100 Ca -0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2dtc h ALA 100 Cb 0.61 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2dtc h ALA 100 CO 0.04 0.37 0.15 0.82 0.00 0.00 0.00 179.25 180.64 2dtc h ILE 101 N 0.72 1.25 -0.09 0.00 2.04 -0.43 -0.43 117.51 120.57 2dtc h ILE 101 Ca 0.16 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2dtc h ILE 101 Cb 0.32 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2dtc h ILE 101 CO 0.00 0.33 0.03 0.25 0.00 0.00 0.00 178.15 178.76 2dtc h LEU 102 N 0.85 0.13 -0.76 1.44 5.85 -0.88 -1.62 115.31 120.32 2dtc h LEU 102 Ca 0.19 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2dtc h LEU 102 Cb 0.33 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2dtc h LEU 102 CO 0.00 0.29 0.38 -0.50 -0.34 0.00 0.00 178.44 178.28 2dtc h TRP 103 N -0.03 1.07 -0.73 1.25 4.06 -0.80 -2.46 115.95 118.31 2dtc h TRP 103 Ca 0.03 -0.04 0.04 0.00 2.06 0.00 0.00 58.89 60.98 2dtc h TRP 103 Cb 0.20 -0.34 -0.05 0.00 -1.00 0.00 0.00 29.16 27.98 2dtc h TRP 103 CO -0.01 0.78 0.45 1.25 -3.56 0.00 0.00 178.44 177.35 2dtc h HIS 104 N 1.06 0.84 0.17 0.49 2.76 -0.80 0.15 115.15 119.82 2dtc h HIS 104 Ca 0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2dtc h HIS 104 Cb 0.09 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2dtc h HIS 104 CO 0.01 0.46 -0.15 -0.22 -1.30 0.00 0.00 177.93 176.73 2dtc h LYS 105 N 0.87 -0.33 -0.25 5.26 1.63 -0.85 0.15 116.57 123.04 2dtc h LYS 105 Ca 0.30 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.03 2dtc h LYS 105 Cb 0.06 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2dtc h LYS 105 CO -0.13 -0.22 -0.26 0.45 -3.45 0.00 0.00 179.45 175.84 2dtc h HIS 106 N -0.34 0.54 -0.30 1.91 3.86 -1.17 -1.91 115.15 117.73 2dtc h HIS 106 Ca -0.00 -0.12 -0.17 0.00 -1.16 0.00 0.00 60.37 58.92 2dtc h HIS 106 Cb 0.32 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2dtc h HIS 106 CO -0.12 0.70 -0.50 -0.07 0.86 0.00 0.00 177.93 178.80 2dtc h LEU 107 N 0.42 0.95 -0.74 2.43 3.38 -0.51 -2.05 115.31 119.19 2dtc h LEU 107 Ca 0.06 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2dtc h LEU 107 Cb 0.68 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 2dtc h LEU 107 CO 0.05 1.29 0.47 -0.78 0.09 0.00 0.00 178.44 179.57 2dtc h ASP 108 N 0.65 0.79 -0.38 -0.43 3.58 -0.49 0.19 116.42 120.33 2dtc h ASP 108 Ca 0.02 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2dtc h ASP 108 Cb 1.10 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.96 2dtc h ASP 108 CO 0.11 0.55 0.24 0.44 -2.88 0.00 0.00 179.24 177.70 2dtc h ASP 109 N 0.93 0.44 -0.45 2.28 3.32 -1.25 -2.20 116.42 119.49 2dtc h ASP 109 Ca 0.29 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.30 2dtc h ASP 109 Cb -0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2dtc h ASP 109 CO -0.10 0.34 0.20 0.00 -1.72 0.00 0.00 179.24 177.96 2dtc h ALA 110 N 1.12 0.59 -0.24 3.45 0.00 -0.60 -1.70 119.26 121.88 2dtc h ALA 110 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dtc h ALA 110 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2dtc h ALA 110 CO -0.03 0.17 0.16 0.00 0.00 0.00 0.00 179.25 179.55 2dtc n LYS 112 N -4.50 2.18 -1.92 0.00 5.02 -0.84 -0.86 118.16 117.24 2dtc n LYS 112 Ca 0.01 -1.78 -0.31 0.00 -2.02 0.00 0.00 58.31 54.20 2dtc n LYS 112 Cb 0.10 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2dtc n LYS 112 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2dtc s SER 113 N -1.52 6.11 -0.24 4.39 1.04 -0.68 -5.02 113.70 117.78 2dtc s SER 113 Ca 0.36 1.51 -0.13 0.00 0.48 0.00 0.00 55.95 58.17 2dtc s SER 113 Cb 0.20 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2dtc s SER 113 CO 0.29 -0.95 0.28 -0.94 0.98 0.00 0.00 173.24 172.90 2dtc s SER 114 N -3.80 6.23 0.00 7.02 1.04 -1.26 -4.67 113.70 118.26 2dtc s SER 114 Ca 0.57 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2dtc s SER 114 Cb -0.12 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2dtc s SER 114 CO 0.49 -0.04 0.00 -1.14 0.98 0.00 0.00 173.24 173.52