#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 0.00 0.00 3.45 -1.04 -0.12 -5.01 114.28 111.56 2dtc n THR 2 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dtc n THR 2 Cb 0.00 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 2dtc n THR 2 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dtc n GLU 4 N -1.34 0.00 0.00 -2.82 1.02 -1.26 -5.02 120.64 111.22 2dtc n GLU 4 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2dtc n GLU 4 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.73 2dtc n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dtc n GLY 5 N -0.01 1.78 3.65 0.62 0.00 -0.72 -5.00 105.19 105.51 2dtc n GLY 5 Ca 0.00 -0.97 -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 4.23 0.14 1.61 0.04 -1.26 -1.24 135.00 136.51 2dtc s PRO 6 Ca 0.00 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.17 2dtc s PRO 6 Cb 0.00 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2dtc s PRO 6 CO 0.00 -0.50 -0.15 -0.51 0.04 0.00 0.00 177.00 175.87 2dtc s LEU 7 N 2.78 2.43 -0.09 -3.56 1.43 -0.11 -4.79 118.68 116.77 2dtc s LEU 7 Ca 0.38 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2dtc s LEU 7 Cb -0.15 -0.63 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 2dtc s LEU 7 CO 0.08 -0.12 -0.14 -0.13 0.23 0.00 0.00 176.35 176.27 2dtc s ARG 8 N -2.84 2.99 0.04 1.70 3.00 -0.77 -0.73 118.95 122.34 2dtc s ARG 8 Ca 0.12 -0.70 0.09 0.00 0.00 0.00 0.00 55.73 55.24 2dtc s ARG 8 Cb -0.04 -2.50 -0.03 0.00 0.00 0.00 0.00 34.95 32.37 2dtc s ARG 8 CO 0.04 0.39 -0.26 0.50 0.00 0.00 0.00 175.30 175.97 2dtc s ARG 9 N -0.12 1.83 -0.04 3.54 3.52 -0.32 -0.46 118.95 126.91 2dtc s ARG 9 Ca -0.02 -1.09 0.03 0.00 -0.13 0.00 0.00 55.73 54.52 2dtc s ARG 9 Cb -0.14 -1.99 0.01 0.00 -1.56 0.00 0.00 34.95 31.27 2dtc s ARG 9 CO 0.04 0.52 -0.11 0.21 -0.81 0.00 0.00 175.30 175.14 2dtc s LYS 10 N -1.18 1.27 -0.20 5.12 2.20 -0.11 -1.34 119.74 125.49 2dtc s LYS 10 Ca 0.12 -0.37 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 2dtc s LYS 10 Cb -0.10 -1.13 -0.03 0.00 -1.51 0.00 0.00 37.83 35.06 2dtc s LYS 10 CO 0.02 0.10 0.55 0.99 -0.36 0.00 0.00 175.35 176.65 2dtc s THR 11 N 0.34 5.08 -0.17 3.43 2.01 -1.26 -1.14 115.64 123.93 2dtc s THR 11 Ca -0.07 1.02 0.02 0.00 0.31 0.00 0.00 61.69 62.97 2dtc s THR 11 Cb -0.11 -3.87 -0.22 0.00 0.01 0.00 0.00 72.50 68.30 2dtc s THR 11 CO 0.02 0.15 0.16 0.18 -0.69 0.00 0.00 174.62 174.44 2dtc n LEU 12 N 4.89 2.23 -3.79 4.42 4.77 -0.07 -4.69 117.00 124.76 2dtc n LEU 12 Ca -0.04 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2dtc n LEU 12 Cb 0.50 -0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 40.78 2dtc n LEU 12 CO 0.42 0.79 -0.11 -0.76 -1.33 0.00 0.00 177.39 176.40 2dtc s LEU 13 N -6.55 1.12 -0.06 2.23 1.43 -0.98 -4.20 118.68 111.66 2dtc s LEU 13 Ca -0.23 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2dtc s LEU 13 Cb 0.08 0.78 0.03 0.00 0.03 0.00 0.00 46.19 47.11 2dtc s LEU 13 CO 0.72 -0.08 0.01 -0.75 0.23 0.00 0.00 176.35 176.48 2dtc s LYS 14 N 0.14 0.47 -1.37 1.70 2.20 -0.01 -1.37 119.74 121.50 2dtc s LYS 14 Ca -0.00 0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 2dtc s LYS 14 Cb -0.02 -0.83 0.02 0.00 -1.51 0.00 0.00 37.83 35.50 2dtc s LYS 14 CO 0.00 -0.27 0.33 0.39 -0.36 0.00 0.00 175.35 175.44 2dtc n GLU 15 N 4.99 -3.31 -0.55 4.03 1.02 -0.80 -1.68 120.64 124.34 2dtc n GLU 15 Ca -0.10 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2dtc n GLU 15 Cb 0.50 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 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 -1.16 0.77 3.08 0.62 0.00 0.18 -5.01 105.19 103.68 2dtc n GLY 16 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.45 0.57 0.21 1.61 1.04 -0.68 -5.05 118.95 116.21 2dtc s ARG 17 Ca 0.00 -0.78 -0.31 0.00 -1.04 0.00 0.00 55.73 53.60 2dtc s ARG 17 Cb 0.00 -0.38 -0.10 0.00 -2.04 0.00 0.00 34.95 32.43 2dtc s ARG 17 CO 0.00 0.07 1.47 0.21 -0.04 0.00 0.00 175.30 177.02 2dtc s LYS 18 N -1.59 4.26 0.62 3.89 2.20 -1.26 -0.83 119.74 127.02 2dtc s LYS 18 Ca -0.09 2.29 -0.18 0.00 -0.36 0.00 0.00 55.97 57.64 2dtc s LYS 18 Cb -0.10 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2dtc s LYS 18 CO 0.01 -0.48 1.19 -2.14 -0.36 0.00 0.00 175.35 173.57 2dtc s PRO 19 N 0.28 2.82 0.08 4.03 0.02 -1.26 -4.92 135.00 136.05 2dtc s PRO 19 Ca 0.63 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 63.18 2dtc s PRO 19 Cb -0.42 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.05 2dtc s PRO 19 CO 0.38 -1.31 1.66 0.00 -0.33 0.00 0.00 177.00 177.40 2dtc h ALA 20 N 0.58 0.08 -3.74 -1.55 0.00 -1.99 -3.41 119.26 109.23 2dtc h ALA 20 Ca -0.49 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.68 2dtc h ALA 20 Cb 1.29 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 2dtc h ALA 20 CO 0.54 -0.37 -0.72 -0.51 0.00 0.00 0.00 179.25 178.19 2dtc s LEU 21 N -10.00 3.04 -0.18 0.00 1.02 -1.26 -5.12 118.68 106.19 2dtc s LEU 21 Ca -0.13 -0.13 -0.16 0.00 0.02 0.00 0.00 54.13 53.73 2dtc s LEU 21 Cb 0.06 -1.70 0.05 0.00 0.02 0.00 0.00 46.19 44.62 2dtc s LEU 21 CO 0.68 0.32 0.48 -0.94 0.02 0.00 0.00 176.35 176.91 2dtc s SER 22 N -1.05 -0.51 0.29 2.29 1.04 -1.26 -5.01 113.70 109.49 2dtc s SER 22 Ca 0.14 0.97 -0.19 0.00 0.48 0.00 0.00 55.95 57.35 2dtc s SER 22 Cb -0.11 0.97 0.06 0.00 0.10 0.00 0.00 66.02 67.04 2dtc s SER 22 CO 0.04 -0.17 0.90 -0.94 0.98 0.00 0.00 173.24 174.04 2dtc s SER 23 N 0.37 -0.02 -0.10 7.02 1.04 -1.26 -5.06 113.70 115.69 2dtc s SER 23 Ca -0.01 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 55.33 2dtc s SER 23 Cb -0.04 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2dtc s SER 23 CO -0.01 -1.36 0.53 0.26 0.98 0.00 0.00 173.24 173.64 2dtc s TRP 24 N -2.37 3.53 -0.07 5.02 0.52 -1.26 -4.27 118.94 120.04 2dtc s TRP 24 Ca 0.18 0.97 0.06 0.00 0.02 0.00 0.00 56.10 57.33 2dtc s TRP 24 Cb -0.04 -2.61 -0.01 0.00 -1.15 0.00 0.00 33.47 29.67 2dtc s TRP 24 CO 0.08 0.16 -0.24 0.99 0.02 0.00 0.00 176.95 177.96 2dtc s THR 25 N 0.64 2.01 0.03 2.01 2.01 -0.45 -4.90 115.64 117.00 2dtc s THR 25 Ca 0.29 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 2dtc s THR 25 Cb -0.16 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2dtc s THR 25 CO 0.12 0.56 0.86 -0.13 -0.69 0.00 0.00 174.62 175.34 2dtc s ARG 26 N -0.03 4.56 0.04 4.92 0.52 -1.26 -1.17 118.95 126.53 2dtc s ARG 26 Ca -0.07 1.22 -0.05 0.00 -0.52 0.00 0.00 55.73 56.30 2dtc s ARG 26 Cb -0.15 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 2dtc s ARG 26 CO 0.05 0.15 0.09 0.71 0.02 0.00 0.00 175.30 176.33 2dtc s TYR 27 N 0.34 0.22 -0.22 -0.53 2.02 0.09 -3.61 117.35 115.67 2dtc s TYR 27 Ca 0.44 -0.56 -0.10 0.00 -0.37 0.00 0.00 57.07 56.48 2dtc s TYR 27 Cb -0.21 -0.16 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 2dtc s TYR 27 CO 0.25 -0.38 0.13 -0.46 -1.57 0.00 0.00 175.55 173.52 2dtc s TRP 28 N -2.84 3.33 -0.08 2.71 -0.11 -0.08 -0.93 118.94 120.94 2dtc s TRP 28 Ca -0.03 0.22 0.04 0.00 1.22 0.00 0.00 56.10 57.55 2dtc s TRP 28 Cb 0.00 -2.20 -0.02 0.00 -1.50 0.00 0.00 33.47 29.76 2dtc s TRP 28 CO -0.06 0.15 -0.19 0.08 -4.62 0.00 0.00 176.95 172.32 2dtc s VAL 29 N 0.71 2.62 -0.10 5.86 1.01 -0.38 -0.78 120.40 129.35 2dtc s VAL 29 Ca 0.07 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2dtc s VAL 29 Cb -0.12 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.24 2dtc s VAL 29 CO 0.01 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.80 2dtc s VAL 30 N -0.15 1.70 -0.39 2.92 1.01 -0.11 -1.76 120.40 123.62 2dtc s VAL 30 Ca -0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 2dtc s VAL 30 Cb -0.14 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2dtc s VAL 30 CO 0.04 0.48 0.25 -0.22 0.00 0.00 0.00 175.10 175.65 2dtc s LEU 31 N 0.59 4.92 -0.31 3.92 2.96 -1.26 -0.36 118.68 129.14 2dtc s LEU 31 Ca -0.14 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 52.77 2dtc s LEU 31 Cb -0.17 -2.08 0.07 0.00 0.50 0.00 0.00 46.19 44.52 2dtc s LEU 31 CO 0.05 -0.43 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.10 2dtc s SER 32 N 1.66 4.77 1.48 3.68 0.15 0.00 -0.94 113.70 124.49 2dtc s SER 32 Ca 0.03 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.11 2dtc s SER 32 Cb -0.19 -1.66 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2dtc s SER 32 CO 0.08 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dtc n GLY 33 N 4.49 3.01 0.47 9.45 0.00 -1.26 -1.42 105.19 119.92 2dtc n GLY 33 Ca -0.09 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 10.54 2.90 -2.73 4.61 0.00 -1.26 -4.82 120.51 129.74 2dtc n ALA 34 Ca 0.00 -2.73 -0.33 0.00 0.00 0.00 0.00 53.44 50.38 2dtc n ALA 34 Cb 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.97 2.97 -0.21 0.00 2.01 -0.51 -0.60 115.64 116.33 2dtc s THR 35 Ca 0.37 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 2dtc s THR 35 Cb 0.32 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2dtc s THR 35 CO 0.02 0.56 0.13 -0.76 -0.69 0.00 0.00 174.62 173.89 2dtc s LEU 36 N -0.26 4.10 -0.13 4.42 1.43 0.31 -0.82 118.68 127.73 2dtc s LEU 36 Ca 0.01 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2dtc s LEU 36 Cb -0.13 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 2dtc s LEU 36 CO 0.03 0.13 -0.08 -0.76 0.23 0.00 0.00 176.35 175.89 2dtc s LEU 37 N 0.65 3.00 -0.13 1.79 1.43 0.51 -0.94 118.68 125.00 2dtc s LEU 37 Ca 0.07 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2dtc s LEU 37 Cb -0.12 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2dtc s LEU 37 CO 0.01 0.21 -0.08 -0.31 0.23 0.00 0.00 176.35 176.40 2dtc s TYR 38 N 0.11 2.91 -0.19 0.29 2.02 -0.59 -0.94 117.35 120.97 2dtc s TYR 38 Ca -0.03 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2dtc s TYR 38 Cb -0.14 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2dtc s TYR 38 CO 0.04 -0.05 -0.19 0.71 -1.57 0.00 0.00 175.55 174.48 2dtc s TYR 39 N 0.15 2.81 0.90 2.71 2.02 0.04 0.03 117.35 126.02 2dtc s TYR 39 Ca -0.04 -1.69 -0.12 0.00 -0.37 0.00 0.00 57.07 54.85 2dtc s TYR 39 Cb -0.14 -1.92 0.13 0.00 -0.40 0.00 0.00 41.96 39.63 2dtc s TYR 39 CO 0.04 -0.81 1.10 0.20 -1.57 0.00 0.00 175.55 174.50 2dtc s GLY 40 N 1.28 1.60 0.36 0.71 0.00 -1.26 -0.90 107.32 109.11 2dtc s GLY 40 Ca 0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.29 2dtc s GLY 40 CO -0.12 0.30 1.11 0.00 0.00 0.00 0.00 173.10 174.39 2dtc s ALA 41 N -3.02 3.21 0.10 3.20 0.00 -1.24 -0.80 121.76 123.20 2dtc s ALA 41 Ca 0.63 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 2dtc s ALA 41 Cb -0.17 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.45 2dtc s ALA 41 CO 0.56 -0.32 1.25 0.87 0.00 0.00 0.00 175.76 178.12 2dtc h LYS 42 N 2.93 0.64 0.00 0.00 1.57 -1.39 -3.44 116.57 116.88 2dtc h LYS 42 Ca -0.48 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 57.65 2dtc h LYS 42 Cb 1.22 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2dtc h LYS 42 CO 0.64 1.25 0.00 -1.13 -0.57 0.00 0.00 179.45 179.64 2dtc n SER 43 N -3.84 1.15 0.04 0.86 3.41 -1.26 -5.04 113.62 108.93 2dtc n SER 43 Ca -0.09 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.53 2dtc n SER 43 Cb 0.84 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.72 2dtc n SER 43 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dtc h LEU 44 N 0.00 0.00 -8.37 1.04 3.38 -1.94 -3.44 115.31 105.99 2dtc h LEU 44 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 2dtc h LEU 44 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 2dtc h LEU 44 CO 0.00 0.50 0.52 -0.60 0.09 0.00 0.00 178.44 178.95 2dtc s ARG 45 N -2.98 3.21 -0.44 1.13 6.06 -1.26 -4.99 118.95 119.68 2dtc s ARG 45 Ca -0.02 -0.57 0.06 0.00 -2.50 0.00 0.00 55.73 52.69 2dtc s ARG 45 Cb 0.09 -4.14 0.21 0.00 0.06 0.00 0.00 34.95 31.17 2dtc s ARG 45 CO 0.81 -1.62 0.46 0.41 -2.50 0.00 0.00 175.30 172.85 2dtc n GLY 46 N 5.22 2.78 0.01 8.12 0.00 -1.26 -4.71 105.19 115.35 2dtc n GLY 46 Ca -0.02 -1.62 -0.01 0.00 0.00 0.00 0.00 46.02 44.37 2dtc n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dtc n THR 47 N 2.01 0.11 -2.75 2.61 5.66 -1.26 -5.02 114.28 115.64 2dtc n THR 47 Ca 0.25 -0.05 -0.26 0.00 -3.05 0.00 0.00 64.05 60.94 2dtc n THR 47 Cb 0.49 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 2dtc n THR 47 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2dtc s ASP 48 N -3.95 6.10 0.30 1.09 1.11 -1.26 -4.74 116.67 115.32 2dtc s ASP 48 Ca -0.02 0.74 0.03 0.00 0.18 0.00 0.00 52.55 53.47 2dtc s ASP 48 Cb 0.01 -2.03 0.61 0.00 1.07 0.00 0.00 42.92 42.57 2dtc s ASP 48 CO 0.05 -0.63 1.86 -0.09 1.18 0.00 0.00 175.17 177.54 2dtc h ARG 49 N 0.26 0.91 0.00 8.23 9.65 -1.97 -0.18 114.38 131.28 2dtc h ARG 49 Ca -0.47 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2dtc h ARG 49 Cb 1.22 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 2dtc h ARG 49 CO 0.61 0.60 0.00 0.36 2.80 0.00 0.00 179.97 184.34 2dtc n LYS 50 N -4.58 0.00 0.00 0.20 2.85 -1.26 -1.55 118.16 113.82 2dtc n LYS 50 Ca 0.17 0.33 0.14 0.00 -1.05 0.00 0.00 58.31 57.91 2dtc n LYS 50 Cb 0.34 -1.50 0.65 0.00 -0.65 0.00 0.00 35.03 33.87 2dtc n LYS 50 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2dtc n HIS 51 N -1.50 0.00 -4.44 5.58 8.25 -0.08 -4.85 115.22 118.18 2dtc n HIS 51 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 2dtc n HIS 51 Cb 0.12 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.02 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 -2.25 2.28 0.90 4.41 2.02 -0.60 -1.04 117.35 123.07 2dtc s TYR 52 Ca 0.35 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 2dtc s TYR 52 Cb 0.21 -1.08 0.13 0.00 -0.40 0.00 0.00 41.96 40.82 2dtc s TYR 52 CO 0.42 0.57 1.13 1.63 -1.57 0.00 0.00 175.55 177.73 2dtc n LYS 53 N -0.06 -0.35 0.07 -0.62 5.02 0.02 -4.78 118.16 117.46 2dtc n LYS 53 Ca -0.10 -0.03 0.03 0.00 -2.02 0.00 0.00 58.31 56.19 2dtc n LYS 53 Cb 0.57 -2.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.17 2dtc n LYS 53 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2dtc h SER 54 N -1.72 0.00 -3.35 4.39 4.64 -1.95 -3.45 113.55 112.11 2dtc h SER 54 Ca -0.44 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.26 2dtc h SER 54 Cb 1.28 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 2dtc h SER 54 CO 0.42 0.41 -0.59 0.28 -0.87 0.00 0.00 176.83 176.48 2dtc s THR 55 N -3.05 4.59 0.41 2.95 -1.32 -1.26 -5.08 115.64 112.88 2dtc s THR 55 Ca -0.01 -0.10 -0.25 0.00 -1.21 0.00 0.00 61.69 60.11 2dtc s THR 55 Cb 0.09 -3.07 -0.08 0.00 -1.51 0.00 0.00 72.50 67.92 2dtc s THR 55 CO 0.79 0.45 1.22 -2.16 -2.21 0.00 0.00 174.62 172.71 2dtc s PRO 56 N 0.55 3.97 0.08 7.08 0.04 -1.26 -4.72 135.00 140.74 2dtc s PRO 56 Ca 0.02 1.96 0.22 0.00 0.04 0.00 0.00 61.00 63.25 2dtc s PRO 56 Cb -0.13 -2.68 -0.18 0.00 0.04 0.00 0.00 34.50 31.55 2dtc s PRO 56 CO 0.01 -0.42 0.74 0.41 0.04 0.00 0.00 177.00 177.78 2dtc n GLY 57 N 0.65 -1.21 3.10 0.56 0.00 0.10 -4.94 105.19 103.44 2dtc n GLY 57 Ca 0.04 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.44 0.47 -0.13 1.61 1.02 -1.19 -5.01 119.74 113.05 2dtc s LYS 58 Ca -0.04 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 2dtc s LYS 58 Cb 0.12 0.19 0.07 0.00 -0.52 0.00 0.00 37.83 37.69 2dtc s LYS 58 CO 0.85 -0.11 0.20 0.21 -0.92 0.00 0.00 175.35 175.59 2dtc s LYS 59 N -1.38 0.11 -0.06 1.68 2.20 -1.26 -1.54 119.74 119.49 2dtc s LYS 59 Ca -0.15 0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 55.95 2dtc s LYS 59 Cb -0.08 -0.52 0.03 0.00 -1.51 0.00 0.00 37.83 35.74 2dtc s LYS 59 CO 0.01 -0.41 -0.02 0.08 -0.36 0.00 0.00 175.35 174.65 2dtc s VAL 60 N 2.33 0.45 0.04 4.02 1.01 -0.11 -4.97 120.40 123.17 2dtc s VAL 60 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2dtc s VAL 60 Cb -0.13 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2dtc s VAL 60 CO -0.08 0.24 1.00 -0.55 0.00 0.00 0.00 175.10 175.71 2dtc s SER 61 N 1.44 7.36 -0.21 3.32 0.15 -1.26 -0.53 113.70 123.98 2dtc s SER 61 Ca -0.03 1.74 0.15 0.00 0.70 0.00 0.00 55.95 58.51 2dtc s SER 61 Cb -0.13 -2.58 0.53 0.00 -1.71 0.00 0.00 66.02 62.14 2dtc s SER 61 CO -0.03 -0.24 1.45 2.30 1.20 0.00 0.00 173.24 177.93 2dtc n ILE 62 N 3.59 2.39 -1.82 6.45 -5.35 0.23 -4.97 119.36 119.88 2dtc n ILE 62 Ca 0.05 -2.07 -0.42 0.00 -0.27 0.00 0.00 62.75 60.04 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 -2.94 2.57 0.00 7.28 1.01 -1.26 -1.36 120.40 125.69 2dtc s VAL 63 Ca 0.43 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2dtc s VAL 63 Cb 0.36 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2dtc s VAL 63 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2dtc n GLY 64 N 4.02 0.82 0.00 4.51 0.00 0.21 -4.93 105.19 109.82 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 -2.20 0.00 -3.60 1.61 7.02 -0.47 -4.09 117.44 115.71 2dtc n TRP 65 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 2dtc n TRP 65 Cb 0.00 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 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 0.75 0.00 0.04 -0.99 0.11 -1.26 -4.80 120.40 114.25 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 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.55 2dtc s GLN 68 N -0.21 0.80 -0.29 1.54 -0.21 0.16 -4.96 119.66 116.49 2dtc s GLN 68 Ca -0.01 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.62 2dtc s GLN 68 Cb -0.03 -0.76 0.04 0.00 1.00 0.00 0.00 33.01 33.25 2dtc s GLN 68 CO 0.00 0.18 0.00 -0.51 -2.12 0.00 0.00 175.29 172.85 2dtc s LEU 69 N -1.18 3.72 0.01 2.90 1.43 -1.26 -0.97 118.68 123.33 2dtc s LEU 69 Ca -0.01 -1.08 0.16 0.00 -1.03 0.00 0.00 54.13 52.18 2dtc s LEU 69 Cb -0.08 -1.73 0.70 0.00 0.03 0.00 0.00 46.19 45.11 2dtc s LEU 69 CO 0.01 -0.22 1.53 -0.81 0.23 0.00 0.00 176.35 177.09 2dtc n PRO 70 N 4.68 0.00 -3.93 1.29 -0.04 -1.26 -4.92 135.00 130.82 2dtc n PRO 70 Ca -0.14 0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.28 2dtc n PRO 70 Cb 0.45 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.52 -0.94 -4.26 3.54 2.03 -1.26 -4.93 116.55 109.21 2dtc n ASP 71 Ca 0.04 -0.96 -0.39 0.00 0.52 0.00 0.00 54.79 53.99 2dtc n ASP 71 Cb 0.19 -3.24 -0.11 0.00 -0.72 0.00 0.00 41.12 37.25 2dtc n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dtc s ASP 72 N -4.22 5.52 0.62 1.67 -1.08 -1.26 -4.96 116.67 112.95 2dtc s ASP 72 Ca 0.10 -1.43 0.31 0.00 -0.52 0.00 0.00 52.55 51.01 2dtc s ASP 72 Cb -0.05 -1.94 1.72 0.00 -1.46 0.00 0.00 42.92 41.19 2dtc s ASP 72 CO 0.88 -0.47 2.07 -0.65 0.52 0.00 0.00 175.17 177.51 2dtc h PRO 73 N 8.32 0.00 -0.07 4.34 0.11 -1.97 -0.13 132.00 142.60 2dtc h PRO 73 Ca -0.22 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.74 2dtc h PRO 73 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2dtc h PRO 73 CO 0.71 0.00 -0.61 1.49 -0.21 0.00 0.00 178.00 179.38 2dtc h GLU 74 N 0.00 0.25 -2.18 1.05 4.81 -2.01 -3.36 114.58 113.14 2dtc h GLU 74 Ca 0.08 -0.17 -0.58 0.00 -0.13 0.00 0.00 59.36 58.56 2dtc h GLU 74 Cb 0.56 0.03 -0.39 0.00 0.63 0.00 0.00 28.75 29.58 2dtc h GLU 74 CO -0.00 0.78 -1.00 0.72 -0.73 0.00 0.00 179.01 178.78 2dtc n HIS 75 N -3.87 -0.09 0.31 0.92 8.25 -0.10 -5.00 115.22 115.64 2dtc n HIS 75 Ca -0.02 -3.55 0.20 0.00 -0.26 0.00 0.00 57.72 54.08 2dtc n HIS 75 Cb 0.62 -0.17 0.97 0.00 1.12 0.00 0.00 29.99 32.53 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 4.62 0.00 -0.53 -0.41 0.13 -1.61 -3.16 132.00 131.04 2dtc h PRO 76 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2dtc h PRO 76 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2dtc h PRO 76 CO 0.47 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 2dtc n ASP 77 N -3.03 5.37 -4.91 1.44 5.75 -1.26 -3.82 116.55 116.09 2dtc n ASP 77 Ca -0.01 -2.91 -0.30 0.00 -0.01 0.00 0.00 54.79 51.55 2dtc n ASP 77 Cb 0.17 -0.65 -0.04 0.00 -1.03 0.00 0.00 41.12 39.56 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 -2.70 5.28 0.03 2.12 -1.09 -1.19 -0.83 121.20 122.81 2dtc s ILE 78 Ca 0.52 -0.48 -0.03 0.00 -2.23 0.00 0.00 60.65 58.43 2dtc s ILE 78 Cb 0.40 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.67 2dtc s ILE 78 CO 0.15 0.10 0.05 0.72 -1.23 0.00 0.00 174.94 174.73 2dtc s PHE 79 N -1.53 0.24 -0.00 3.97 -0.12 -0.89 -4.51 117.98 115.13 2dtc s PHE 79 Ca 0.34 -0.53 0.06 0.00 -0.05 0.00 0.00 56.93 56.75 2dtc s PHE 79 Cb -0.13 -0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2dtc s PHE 79 CO 0.27 -0.30 -0.17 -1.14 -0.05 0.00 0.00 175.22 173.83 2dtc s GLN 80 N -2.24 2.27 -0.06 1.99 0.74 -0.14 -1.08 119.66 121.13 2dtc s GLN 80 Ca -0.08 -0.85 0.04 0.00 0.05 0.00 0.00 55.36 54.52 2dtc s GLN 80 Cb -0.04 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.82 2dtc s GLN 80 CO -0.03 0.58 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.94 2dtc s LEU 81 N -1.05 1.88 -0.01 3.68 2.96 0.32 -0.67 118.68 125.79 2dtc s LEU 81 Ca 0.13 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 2dtc s LEU 81 Cb -0.10 -1.03 -0.01 0.00 0.50 0.00 0.00 46.19 45.54 2dtc s LEU 81 CO 0.03 0.13 -0.16 0.20 -1.32 0.00 0.00 176.35 175.23 2dtc s ASN 82 N 0.26 1.84 0.91 3.68 0.01 -1.26 -0.70 114.94 119.68 2dtc s ASN 82 Ca -0.10 -0.28 -0.14 0.00 -0.71 0.00 0.00 52.86 51.63 2dtc s ASN 82 Cb -0.14 -0.21 0.14 0.00 0.41 0.00 0.00 41.25 41.45 2dtc s ASN 82 CO 0.04 0.19 1.20 0.54 -1.51 0.00 0.00 177.10 177.56 2dtc s ASN 83 N -0.36 3.57 0.25 -1.22 4.22 -0.49 -4.54 114.94 116.37 2dtc s ASN 83 Ca 0.06 0.69 -0.04 0.00 -2.14 0.00 0.00 52.86 51.42 2dtc s ASN 83 Cb -0.06 -1.06 0.50 0.00 1.28 0.00 0.00 41.25 41.90 2dtc s ASN 83 CO -0.01 -2.49 1.67 -0.65 -2.04 0.00 0.00 177.10 173.59 2dtc h PRO 84 N -1.46 0.22 -0.38 3.55 0.11 -1.92 -1.48 132.00 130.64 2dtc h PRO 84 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dtc h PRO 84 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2dtc h PRO 84 CO 0.55 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 2dtc n ASP 85 N -5.20 2.32 -1.98 -2.05 5.75 -1.26 -4.91 116.55 109.22 2dtc n ASP 85 Ca 0.15 -1.93 -0.21 0.00 -0.01 0.00 0.00 54.79 52.79 2dtc n ASP 85 Cb 0.50 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.76 -1.57 0.07 0.11 5.02 -0.56 -4.85 118.16 117.14 2dtc n LYS 86 Ca 0.16 1.13 0.03 0.00 -2.02 0.00 0.00 58.31 57.60 2dtc n LYS 86 Cb 0.39 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.71 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 -6.96 0.72 0.00 -1.91 -3.43 103.07 91.49 2dtc h GLY 87 Ca -0.46 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.20 2dtc h GLY 87 CO 0.61 0.00 -0.77 -1.31 0.00 0.00 0.00 176.54 175.07 2dtc s ASN 88 N -5.82 4.12 -0.03 0.19 -0.87 -1.26 -0.64 114.94 110.62 2dtc s ASN 88 Ca -0.01 -0.82 0.03 0.00 -1.57 0.00 0.00 52.86 50.48 2dtc s ASN 88 Cb 0.09 -1.63 0.01 0.00 -0.02 0.00 0.00 41.25 39.69 2dtc s ASN 88 CO 0.79 -0.10 -0.10 -0.69 -2.57 0.00 0.00 177.10 174.43 2dtc s VAL 89 N 1.32 0.90 0.07 1.60 1.01 -0.47 -1.39 120.40 123.44 2dtc s VAL 89 Ca 0.01 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2dtc s VAL 89 Cb -0.16 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2dtc s VAL 89 CO -0.06 0.28 -0.12 -0.31 0.00 0.00 0.00 175.10 174.90 2dtc s TYR 90 N 0.29 1.05 0.09 5.22 2.02 0.13 -0.89 117.35 125.26 2dtc s TYR 90 Ca -0.05 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.21 2dtc s TYR 90 Cb -0.10 -0.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2dtc s TYR 90 CO 0.01 0.01 -0.17 0.15 -1.57 0.00 0.00 175.55 173.99 2dtc s LYS 91 N -1.94 1.94 -0.03 -0.62 1.02 -0.29 -0.52 119.74 119.30 2dtc s LYS 91 Ca -0.02 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 54.92 2dtc s LYS 91 Cb -0.08 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2dtc s LYS 91 CO 0.01 0.51 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.75 2dtc s PHE 92 N -1.07 1.37 -0.18 3.18 0.08 -0.24 -0.94 117.98 120.18 2dtc s PHE 92 Ca 0.17 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.80 2dtc s PHE 92 Cb -0.11 -0.93 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 2dtc s PHE 92 CO 0.09 -0.11 0.09 -0.65 -0.10 0.00 0.00 175.22 174.54 2dtc s GLN 93 N -0.01 3.96 0.00 0.44 -0.21 0.39 -2.09 119.66 122.14 2dtc s GLN 93 Ca -0.01 -0.28 0.11 0.00 0.02 0.00 0.00 55.36 55.20 2dtc s GLN 93 Cb -0.09 -3.27 -0.11 0.00 1.00 0.00 0.00 33.01 30.54 2dtc s GLN 93 CO 0.01 0.35 0.47 0.25 -2.12 0.00 0.00 175.29 174.25 2dtc n THR 94 N 3.31 0.00 0.00 -0.19 -2.24 -0.01 -1.84 114.28 113.31 2dtc n THR 94 Ca -0.17 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2dtc n THR 94 Cb 0.52 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.24 3.39 3.47 3.38 0.00 -1.26 -4.89 105.19 110.51 2dtc n GLY 95 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.98 -0.58 0.21 1.61 1.04 -1.26 -4.95 113.70 108.80 2dtc s SER 96 Ca 0.00 0.55 -0.10 0.00 0.48 0.00 0.00 55.95 56.88 2dtc s SER 96 Cb 0.00 0.51 0.19 0.00 0.10 0.00 0.00 66.02 66.82 2dtc s SER 96 CO 0.00 -0.62 1.85 -0.09 0.98 0.00 0.00 173.24 175.36 2dtc h ARG 97 N 3.04 0.84 -0.45 4.02 9.65 -1.91 -1.28 114.38 128.30 2dtc h ARG 97 Ca -0.28 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 58.61 2dtc h ARG 97 Cb 1.16 -0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 29.49 2dtc h ARG 97 CO 0.39 0.56 0.13 0.35 2.80 0.00 0.00 179.97 184.20 2dtc h PHE 98 N 0.87 0.22 0.00 2.20 3.57 -1.96 -0.83 116.94 121.01 2dtc h PHE 98 Ca 0.28 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 2dtc h PHE 98 Cb 0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2dtc h PHE 98 CO -0.04 0.06 -0.47 0.45 -2.23 0.00 0.00 178.31 176.08 2dtc h HIS 99 N 0.28 0.00 -0.58 0.41 3.86 -1.82 -1.14 115.15 116.17 2dtc h HIS 99 Ca 0.22 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 2dtc h HIS 99 Cb 0.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2dtc h HIS 99 CO -0.18 0.47 0.22 0.00 0.86 0.00 0.00 177.93 179.30 2dtc h ALA 100 N 1.53 0.76 -0.50 2.45 0.00 -0.40 0.85 119.26 123.95 2dtc h ALA 100 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2dtc h ALA 100 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2dtc h ALA 100 CO 0.06 0.39 0.07 0.82 0.00 0.00 0.00 179.25 180.59 2dtc h ILE 101 N 0.80 1.25 -0.11 0.00 2.04 -0.86 -0.86 117.51 119.78 2dtc h ILE 101 Ca 0.19 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2dtc h ILE 101 Cb 0.23 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2dtc h ILE 101 CO -0.01 0.34 0.06 0.25 0.00 0.00 0.00 178.15 178.78 2dtc h LEU 102 N 0.71 0.15 -0.75 1.44 5.85 -0.89 -1.34 115.31 120.48 2dtc h LEU 102 Ca 0.15 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dtc h LEU 102 Cb 0.41 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2dtc h LEU 102 CO 0.01 0.21 0.36 -0.50 -0.34 0.00 0.00 178.44 178.18 2dtc h TRP 103 N 0.07 1.07 -0.71 1.25 4.06 -0.78 -2.49 115.95 118.42 2dtc h TRP 103 Ca 0.04 -0.05 0.04 0.00 2.06 0.00 0.00 58.89 60.98 2dtc h TRP 103 Cb 0.10 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 27.88 2dtc h TRP 103 CO -0.04 0.79 0.44 1.25 -3.56 0.00 0.00 178.44 177.32 2dtc h HIS 104 N 1.05 0.82 0.09 0.49 2.76 -0.87 0.15 115.15 119.63 2dtc h HIS 104 Ca 0.26 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.47 2dtc h HIS 104 Cb 0.11 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 2dtc h HIS 104 CO 0.01 0.45 -0.17 -0.22 -1.30 0.00 0.00 177.93 176.69 2dtc h LYS 105 N 0.84 -0.32 -0.42 5.26 3.64 -0.82 0.11 116.57 124.86 2dtc h LYS 105 Ca 0.29 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 2dtc h LYS 105 Cb 0.06 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2dtc h LYS 105 CO -0.13 -0.22 -0.18 0.45 -2.27 0.00 0.00 179.45 177.11 2dtc h HIS 106 N -0.33 0.91 -0.23 1.91 3.86 -1.24 -2.37 115.15 117.66 2dtc h HIS 106 Ca 0.03 -0.19 -0.18 0.00 -1.16 0.00 0.00 60.37 58.87 2dtc h HIS 106 Cb 0.36 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 2dtc h HIS 106 CO -0.18 0.92 -0.57 -0.07 0.86 0.00 0.00 177.93 178.89 2dtc h LEU 107 N 0.71 0.80 -0.78 2.43 3.38 -0.53 -1.82 115.31 119.50 2dtc h LEU 107 Ca 0.11 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2dtc h LEU 107 Cb 0.69 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2dtc h LEU 107 CO 0.05 1.20 0.46 -0.78 0.09 0.00 0.00 178.44 179.45 2dtc h ASP 108 N 0.54 0.95 -0.21 -0.43 3.58 -0.66 0.27 116.42 120.45 2dtc h ASP 108 Ca 0.01 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2dtc h ASP 108 Cb 1.15 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2dtc h ASP 108 CO 0.12 0.74 0.09 0.44 -2.88 0.00 0.00 179.24 177.75 2dtc h ASP 109 N 1.07 0.29 -0.95 2.28 3.32 -1.35 -3.07 116.42 118.00 2dtc h ASP 109 Ca 0.28 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.21 2dtc h ASP 109 Cb -0.02 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.40 2dtc h ASP 109 CO -0.05 0.37 0.62 0.00 -1.72 0.00 0.00 179.24 178.46 2dtc h ALA 110 N 0.93 1.28 0.00 3.45 0.00 -0.75 -1.43 119.26 122.74 2dtc h ALA 110 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dtc h ALA 110 Cb 0.17 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2dtc h ALA 110 CO -0.01 0.47 -0.07 0.00 0.00 0.00 0.00 179.25 179.64 2dtc n LYS 112 N -3.80 3.52 -0.07 0.00 5.02 -0.60 -0.62 118.16 121.63 2dtc n LYS 112 Ca -0.02 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 2dtc n LYS 112 Cb 0.17 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 2dtc n LYS 112 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2dtc n SER 113 N 0.27 0.00 -4.93 4.39 3.41 -0.34 -5.06 113.62 111.36 2dtc n SER 113 Ca 0.22 -0.08 -0.28 0.00 -0.26 0.00 0.00 58.87 58.48 2dtc n SER 113 Cb 0.89 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 2dtc n SER 113 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dtc s SER 114 N -1.00 6.37 -0.05 4.04 1.04 -1.26 -4.89 113.70 117.96 2dtc s SER 114 Ca 0.00 0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.61 2dtc s SER 114 Cb 0.00 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 64.10 2dtc s SER 114 CO 0.00 0.04 0.35 -0.13 0.98 0.00 0.00 173.24 174.48 2dtc s ARG 115 N -3.08 3.88 0.00 4.02 0.52 -1.26 -4.59 118.95 118.45 2dtc s ARG 115 Ca 0.37 0.28 0.11 0.00 -0.52 0.00 0.00 55.73 55.96 2dtc s ARG 115 Cb -0.11 -3.25 0.65 0.00 0.52 0.00 0.00 34.95 32.75 2dtc s ARG 115 CO 0.28 0.63 1.09 -2.30 0.02 0.00 0.00 175.30 175.02