#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2n n LYS 12 N 0.00 0.11 -0.15 -0.78 4.76 -1.26 -3.93 118.16 116.91 3d2n n LYS 12 Ca 0.00 0.10 -0.03 0.00 -2.87 0.00 0.00 58.31 55.51 3d2n n LYS 12 Cb 0.00 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 3d2n n LYS 12 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 3d2n n TRP 13 N -1.82 -0.11 1.17 2.13 -0.00 -1.26 -2.29 117.44 115.27 3d2n n TRP 13 Ca 0.06 0.45 0.13 0.00 -0.00 0.00 0.00 57.50 58.14 3d2n n TRP 13 Cb 0.37 -0.56 0.31 0.00 -0.00 0.00 0.00 31.31 31.42 3d2n n TRP 13 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3d2n n LEU 14 N -4.48 1.03 -4.77 5.87 4.77 -1.25 -4.81 117.00 113.36 3d2n n LEU 14 Ca 0.02 -0.27 -0.38 0.00 -0.03 0.00 0.00 56.01 55.34 3d2n n LEU 14 Cb 0.11 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3d2n n LEU 14 CO -0.06 0.20 0.77 0.42 -1.33 0.00 0.00 177.39 177.40 3d2n s THR 15 N -2.59 3.55 0.08 -5.08 -4.23 -0.97 -2.43 115.64 103.97 3d2n s THR 15 Ca 0.21 1.34 0.06 0.00 -1.18 0.00 0.00 61.69 62.13 3d2n s THR 15 Cb 0.19 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 3d2n s THR 15 CO 0.56 0.16 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.88 3d2n s LEU 16 N -2.14 2.29 -0.11 4.79 1.43 -0.85 -4.96 118.68 119.12 3d2n s LEU 16 Ca 0.52 -0.64 -0.28 0.00 -1.03 0.00 0.00 54.13 52.70 3d2n s LEU 16 Cb -0.27 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 3d2n s LEU 16 CO 0.34 -0.02 0.93 -0.70 0.23 0.00 0.00 176.35 177.13 3d2n s GLU 17 N -1.80 4.40 0.56 1.70 2.12 -1.26 -2.70 118.70 121.73 3d2n s GLU 17 Ca 0.01 1.25 -0.16 0.00 0.36 0.00 0.00 54.97 56.43 3d2n s GLU 17 Cb -0.10 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 3d2n s GLU 17 CO 0.03 -0.27 1.03 0.08 -0.54 0.00 0.00 175.26 175.59 3d2n s VAL 18 N 1.88 4.06 -0.54 3.70 1.01 0.47 -2.30 120.40 128.68 3d2n s VAL 18 Ca 0.45 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 3d2n s VAL 18 Cb -0.18 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3d2n s VAL 18 CO 0.17 -0.57 1.16 0.00 0.00 0.00 0.00 175.10 175.86 3d2n h ARG 20 N 9.41 0.00 0.00 0.00 0.11 -1.94 -0.64 114.38 121.32 3d2n h ARG 20 Ca -0.24 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.80 3d2n h ARG 20 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 3d2n h ARG 20 CO 1.16 0.00 -0.28 0.93 0.10 0.00 0.00 179.97 181.88 3d2n h GLU 21 N 0.00 0.00 -0.69 0.08 4.39 -1.95 -3.19 114.58 113.22 3d2n h GLU 21 Ca 0.07 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.89 3d2n h GLU 21 Cb 0.43 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.95 3d2n h GLU 21 CO -0.00 0.48 -0.29 0.35 -1.16 0.00 0.00 179.01 178.39 3d2n h PHE 22 N -1.00 -0.77 0.00 4.33 3.57 -1.80 0.12 116.94 121.38 3d2n h PHE 22 Ca -0.05 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3d2n h PHE 22 Cb 0.61 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3d2n h PHE 22 CO 0.07 -0.37 0.00 0.94 -2.23 0.00 0.00 178.31 176.72 3d2n n GLN 23 N -5.46 0.12 -0.67 1.11 -0.06 -0.27 0.42 117.38 112.57 3d2n n GLN 23 Ca 0.07 0.54 0.04 0.00 -2.00 0.00 0.00 57.00 55.65 3d2n n GLN 23 Cb 0.37 -1.84 0.20 0.00 -4.06 0.00 0.00 30.24 24.91 3d2n n GLN 23 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75 3d2n n ARG 24 N -2.08 1.68 -1.39 3.69 1.85 -0.37 -5.00 116.66 115.03 3d2n n ARG 24 Ca -0.00 -3.33 -0.07 0.00 -1.00 0.00 0.00 57.85 53.45 3d2n n ARG 24 Cb 0.08 -1.66 -0.02 0.00 -1.05 0.00 0.00 32.46 29.81 3d2n n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3d2n n GLY 25 N -1.11 0.73 0.00 2.89 0.00 0.17 -4.93 105.19 102.94 3d2n n GLY 25 Ca 0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3d2n n GLY 25 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3d2n n THR 26 N -3.05 0.12 -2.80 2.61 5.66 -0.11 -4.96 114.28 111.74 3d2n n THR 26 Ca -0.07 -0.24 -0.42 0.00 -3.05 0.00 0.00 64.05 60.27 3d2n n THR 26 Cb 0.29 1.38 -0.03 0.00 -1.55 0.00 0.00 70.33 70.41 3d2n n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3d2n n SER 28 N 4.84 2.98 -4.63 0.00 7.64 -1.26 -4.79 113.62 118.40 3d2n n SER 28 Ca 0.06 -3.70 -0.35 0.00 1.01 0.00 0.00 58.87 55.89 3d2n n SER 28 Cb 0.49 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.88 3d2n n SER 28 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3d2n s ARG 29 N -3.25 3.37 0.47 1.43 0.52 -1.26 -5.09 118.95 115.14 3d2n s ARG 29 Ca 0.49 -0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 55.07 3d2n s ARG 29 Cb 0.43 -2.92 -0.10 0.00 0.52 0.00 0.00 34.95 32.88 3d2n s ARG 29 CO 0.04 0.50 0.73 -2.30 0.02 0.00 0.00 175.30 174.29 3d2n n PRO 30 N 2.77 0.83 -0.26 3.54 -0.02 -1.26 -4.71 135.00 135.89 3d2n n PRO 30 Ca -0.18 0.31 0.20 0.00 -2.02 0.00 0.00 63.50 61.81 3d2n n PRO 30 Cb 0.53 -1.79 0.52 0.00 -0.02 0.00 0.00 33.50 32.74 3d2n n PRO 30 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d2n h ASP 31 N 0.87 0.41 -0.02 2.55 5.19 -1.96 -0.80 116.42 122.65 3d2n h ASP 31 Ca -0.44 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 3d2n h ASP 31 Cb 1.38 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.86 3d2n h ASP 31 CO 0.52 0.14 0.00 1.07 -3.12 0.00 0.00 179.24 177.85 3d2n n THR 32 N -4.53 0.02 -0.40 0.35 5.66 -1.26 -3.58 114.28 110.54 3d2n n THR 32 Ca 0.21 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 3d2n n THR 32 Cb 0.75 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 3d2n n THR 32 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3d2n n GLU 33 N -0.31 -0.02 -3.46 1.09 -0.58 -0.41 -4.89 120.64 112.07 3d2n n GLU 33 Ca 0.20 -0.24 -0.36 0.00 -0.42 0.00 0.00 57.16 56.34 3d2n n GLU 33 Cb 0.24 -0.71 -0.06 0.00 -0.57 0.00 0.00 31.44 30.35 3d2n n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d2n n LYS 35 N 1.18 0.13 -4.17 0.00 4.76 -1.26 -4.84 118.16 113.96 3d2n n LYS 35 Ca -0.09 -0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.08 3d2n n LYS 35 Cb 0.52 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.14 3d2n n LYS 35 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3d2n s PHE 36 N -2.89 2.61 0.38 2.13 0.08 -1.26 -4.98 117.98 114.05 3d2n s PHE 36 Ca 0.17 -0.56 -0.24 0.00 0.12 0.00 0.00 56.93 56.42 3d2n s PHE 36 Cb 0.19 -1.88 -0.09 0.00 -0.57 0.00 0.00 43.02 40.66 3d2n s PHE 36 CO 0.54 0.24 1.01 0.00 -0.10 0.00 0.00 175.22 176.91 3d2n s ALA 37 N -2.58 3.12 -0.33 5.36 0.00 -0.97 -4.72 121.76 121.63 3d2n s ALA 37 Ca 0.40 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.02 3d2n s ALA 37 Cb 0.03 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 20.02 3d2n s ALA 37 CO 0.22 -0.07 0.05 -1.01 0.00 0.00 0.00 175.76 174.95 3d2n s HIS 38 N -1.70 3.54 0.08 0.00 3.76 -1.26 -1.78 115.29 117.93 3d2n s HIS 38 Ca 0.56 -2.85 -0.30 0.00 -0.15 0.00 0.00 55.06 52.32 3d2n s HIS 38 Cb -0.20 -2.77 -0.05 0.00 1.11 0.00 0.00 32.58 30.67 3d2n s HIS 38 CO 0.25 -0.94 1.06 -2.14 -0.85 0.00 0.00 174.74 172.13 3d2n s PRO 39 N 0.98 4.56 0.22 8.40 0.02 -1.26 -4.96 135.00 142.95 3d2n s PRO 39 Ca 0.10 1.59 -0.32 0.00 0.02 0.00 0.00 61.00 62.39 3d2n s PRO 39 Cb -0.19 -3.37 -0.13 0.00 0.02 0.00 0.00 34.50 30.83 3d2n s PRO 39 CO -0.10 -0.03 1.51 -1.13 -0.33 0.00 0.00 177.00 176.92 3d2n n SER 40 N 3.35 3.07 -3.43 2.53 3.41 -1.26 -4.75 113.62 116.55 3d2n n SER 40 Ca 0.05 1.12 -0.34 0.00 -0.26 0.00 0.00 58.87 59.44 3d2n n SER 40 Cb 0.48 -1.45 -0.05 0.00 -0.26 0.00 0.00 64.21 62.93 3d2n n SER 40 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d2n n LYS 41 N 2.64 1.32 0.00 4.33 4.01 -1.26 -1.22 118.16 127.99 3d2n n LYS 41 Ca 0.13 -1.50 0.00 0.00 -0.51 0.00 0.00 58.31 56.43 3d2n n LYS 41 Cb 0.31 -2.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.18 3d2n n LYS 41 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3d2n n SER 42 N 6.56 0.00 -4.77 4.39 3.41 -1.26 -5.14 113.62 116.81 3d2n n SER 42 Ca 0.43 -0.67 -0.39 0.00 -0.26 0.00 0.00 58.87 57.98 3d2n n SER 42 Cb 0.29 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 3d2n n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d2n s GLN 44 N -1.86 3.50 -0.28 0.00 0.74 -0.55 -4.99 119.66 116.22 3d2n s GLN 44 Ca 0.50 0.50 -0.02 0.00 0.05 0.00 0.00 55.36 56.38 3d2n s GLN 44 Cb -0.29 -4.03 0.04 0.00 1.10 0.00 0.00 33.01 29.83 3d2n s GLN 44 CO 0.37 -1.68 -0.01 0.08 -0.55 0.00 0.00 175.29 173.50 3d2n s VAL 45 N 5.27 3.04 -0.40 1.34 1.01 -1.26 -3.86 120.40 125.55 3d2n s VAL 45 Ca 0.50 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 3d2n s VAL 45 Cb -0.09 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.63 3d2n s VAL 45 CO 0.28 0.00 0.67 -0.70 0.00 0.00 0.00 175.10 175.35 3d2n s GLU 46 N 1.30 3.48 0.00 2.72 2.12 0.60 -4.81 118.70 124.10 3d2n s GLU 46 Ca -0.03 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.17 3d2n s GLU 46 Cb -0.19 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.32 3d2n s GLU 46 CO -0.02 -0.91 0.00 0.09 -0.54 0.00 0.00 175.26 173.89 3d2n n ASN 47 N 6.24 0.00 0.00 -1.70 3.02 -1.26 0.83 115.26 122.40 3d2n n ASN 47 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3d2n n ASN 47 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3d2n n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d2n n GLY 48 N 0.00 2.96 3.18 7.41 0.00 -1.26 -5.01 105.19 112.46 3d2n n GLY 48 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3d2n n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d2n s ARG 49 N -0.00 3.05 0.22 1.61 3.00 0.24 0.18 118.95 127.25 3d2n s ARG 49 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 55.73 54.93 3d2n s ARG 49 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 34.95 32.41 3d2n s ARG 49 CO 0.00 -0.06 0.37 0.14 0.00 0.00 0.00 175.30 175.75 3d2n s VAL 50 N 0.94 5.25 -0.18 3.52 -7.23 -1.10 0.22 120.40 121.82 3d2n s VAL 50 Ca -0.04 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.33 3d2n s VAL 50 Cb -0.15 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 3d2n s VAL 50 CO -0.04 -0.27 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.84 3d2n s ILE 51 N -1.94 4.11 0.59 -0.62 1.09 -1.25 -2.00 121.20 121.18 3d2n s ILE 51 Ca 0.36 -0.27 -0.16 0.00 -1.10 0.00 0.00 60.65 59.47 3d2n s ILE 51 Cb -0.10 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 3d2n s ILE 51 CO 0.30 0.46 1.06 0.00 -0.10 0.00 0.00 174.94 176.66 3d2n s ALA 52 N 0.61 2.72 -0.65 9.38 0.00 -1.02 -2.76 121.76 130.04 3d2n s ALA 52 Ca -0.01 0.43 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 3d2n s ALA 52 Cb -0.14 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.78 3d2n s ALA 52 CO 0.02 -0.83 1.08 0.00 0.00 0.00 0.00 175.76 176.02 3d2n h PHE 54 N 9.65 -0.31 0.00 0.00 3.04 -1.90 0.14 116.94 127.56 3d2n h PHE 54 Ca -0.28 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.74 3d2n h PHE 54 Cb 1.06 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.83 3d2n h PHE 54 CO 1.01 -0.31 -0.03 -0.44 -2.02 0.00 0.00 178.31 176.52 3d2n h ASP 55 N 0.02 0.00 1.48 0.41 3.32 -1.91 -2.98 116.42 116.76 3d2n h ASP 55 Ca 0.38 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 3d2n h ASP 55 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3d2n h ASP 55 CO -0.76 0.00 -0.45 0.77 -1.72 0.00 0.00 179.24 177.08 3d2n h SER 56 N 0.00 0.00 0.58 6.45 4.64 -1.05 0.63 113.55 124.80 3d2n h SER 56 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3d2n h SER 56 Cb 0.91 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3d2n h SER 56 CO 0.00 0.45 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.06 3d2n h LEU 57 N 0.00 -0.65 -0.66 5.97 3.38 -1.19 0.52 115.31 122.67 3d2n h LEU 57 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d2n h LEU 57 Cb 1.31 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3d2n h LEU 57 CO 0.06 -0.41 0.00 0.29 0.09 0.00 0.00 178.44 178.47 3d2n n LYS 58 N -5.39 0.15 -0.91 1.13 4.01 -1.25 -4.72 118.16 111.18 3d2n n LYS 58 Ca -0.12 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.66 3d2n n LYS 58 Cb 0.33 -1.05 -0.01 0.00 -0.51 0.00 0.00 35.03 33.80 3d2n n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3d2n n GLY 59 N 0.16 0.14 1.21 0.72 0.00 0.18 -4.83 105.19 102.77 3d2n n GLY 59 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3d2n n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d2n n ARG 60 N 0.61 2.97 -2.57 1.61 5.12 0.19 -4.89 116.66 119.70 3d2n n ARG 60 Ca -0.01 -1.98 -0.31 0.00 -1.93 0.00 0.00 57.85 53.61 3d2n n ARG 60 Cb 0.44 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 29.97 3d2n n ARG 60 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d2n n SER 62 N -1.47 0.00 -4.76 0.00 7.64 -1.26 -4.94 113.62 108.82 3d2n n SER 62 Ca 0.05 -1.13 -0.40 0.00 1.01 0.00 0.00 58.87 58.40 3d2n n SER 62 Cb 0.54 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 3d2n n SER 62 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3d2n s ARG 63 N 0.00 4.71 -0.03 1.43 0.52 -1.26 -5.02 118.95 119.30 3d2n s ARG 63 Ca 0.00 1.33 -0.07 0.00 -0.52 0.00 0.00 55.73 56.47 3d2n s ARG 63 Cb 0.00 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3d2n s ARG 63 CO 0.00 0.50 0.42 0.93 0.02 0.00 0.00 175.30 177.17 3d2n h GLU 64 N 4.44 -0.24 -4.36 3.54 3.07 -2.05 -3.40 114.58 115.58 3d2n h GLU 64 Ca -0.46 0.02 -0.73 0.00 -0.50 0.00 0.00 59.36 57.69 3d2n h GLU 64 Cb 1.20 0.05 -0.22 0.00 -0.84 0.00 0.00 28.75 28.95 3d2n h GLU 64 CO 0.68 -0.16 -0.11 -0.80 -1.40 0.00 0.00 179.01 177.22 3d2n s ASN 65 N -4.02 6.18 0.64 1.42 0.01 -1.26 -5.09 114.94 112.82 3d2n s ASN 65 Ca -0.04 -1.57 -0.11 0.00 -0.71 0.00 0.00 52.86 50.44 3d2n s ASN 65 Cb 0.00 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 3d2n s ASN 65 CO 0.11 -0.92 1.04 0.00 -1.51 0.00 0.00 177.10 175.82 3d2n n LYS 67 N -2.81 0.64 -3.88 0.00 4.81 -1.26 -4.24 118.16 111.42 3d2n n LYS 67 Ca 0.07 -0.17 -0.35 0.00 -0.87 0.00 0.00 58.31 56.98 3d2n n LYS 67 Cb 0.54 -1.49 -0.13 0.00 0.02 0.00 0.00 35.03 33.96 3d2n n LYS 67 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3d2n s TYR 68 N -3.35 3.25 0.04 5.64 2.02 -1.26 -1.47 117.35 122.21 3d2n s TYR 68 Ca -0.08 -1.77 -0.11 0.00 -0.37 0.00 0.00 57.07 54.74 3d2n s TYR 68 Cb 0.13 -2.13 -0.06 0.00 -0.40 0.00 0.00 41.96 39.49 3d2n s TYR 68 CO 0.85 -0.78 0.25 -0.11 -1.57 0.00 0.00 175.55 174.19 3d2n n LEU 69 N 4.66 -0.26 -4.28 -1.29 7.94 -1.11 -3.59 117.00 119.07 3d2n n LEU 69 Ca -0.13 0.39 -0.44 0.00 -1.11 0.00 0.00 56.01 54.72 3d2n n LEU 69 Cb 0.44 -0.32 -0.06 0.00 0.53 0.00 0.00 43.42 44.00 3d2n n LEU 69 CO 0.27 -0.88 0.08 -1.00 -1.11 0.00 0.00 177.39 174.75 3d2n s HIS 70 N -0.21 3.31 0.73 1.96 3.76 -1.26 -0.23 115.29 123.35 3d2n s HIS 70 Ca 0.25 -1.48 -0.12 0.00 -0.15 0.00 0.00 55.06 53.56 3d2n s HIS 70 Cb -0.36 -3.66 0.03 0.00 1.11 0.00 0.00 32.58 29.70 3d2n s HIS 70 CO 0.19 -1.00 1.09 -2.14 -0.85 0.00 0.00 174.74 172.03 3d2n s PRO 71 N 1.52 2.55 0.80 8.40 0.02 -1.26 -5.04 135.00 141.98 3d2n s PRO 71 Ca 0.04 1.16 -0.12 0.00 0.02 0.00 0.00 61.00 62.10 3d2n s PRO 71 Cb -0.28 -1.93 0.07 0.00 0.02 0.00 0.00 34.50 32.38 3d2n s PRO 71 CO 0.02 -1.42 1.10 -1.25 -0.33 0.00 0.00 177.00 175.12 3d2n s PRO 72 N -4.77 2.03 0.05 5.54 0.04 -1.26 -4.78 135.00 131.86 3d2n s PRO 72 Ca 0.61 0.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 3d2n s PRO 72 Cb -0.17 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3d2n s PRO 72 CO 0.53 -1.64 1.08 -0.35 0.04 0.00 0.00 177.00 176.66 3d2n n PRO 73 N -3.43 -0.14 -0.31 0.56 -0.04 -1.26 -1.79 135.00 128.58 3d2n n PRO 73 Ca 0.07 1.07 0.06 0.00 -0.04 0.00 0.00 63.50 64.66 3d2n n PRO 73 Cb 0.57 -1.59 0.21 0.00 -0.04 0.00 0.00 33.50 32.65 3d2n n PRO 73 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3d2n h HIS 74 N 0.00 0.91 0.00 0.54 2.07 -1.94 0.53 115.15 117.27 3d2n h HIS 74 Ca 0.05 0.03 -0.08 0.00 -2.85 0.00 0.00 60.37 57.52 3d2n h HIS 74 Cb 0.13 -0.27 -0.01 0.00 2.57 0.00 0.00 27.41 29.83 3d2n h HIS 74 CO -0.88 0.31 -0.38 -0.07 -3.07 0.00 0.00 177.93 173.84 3d2n h LEU 75 N 0.78 0.00 -0.74 6.12 3.38 -1.81 -1.71 115.31 121.33 3d2n h LEU 75 Ca 0.46 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.34 3d2n h LEU 75 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3d2n h LEU 75 CO -0.30 0.38 0.02 0.11 0.09 0.00 0.00 178.44 178.75 3d2n h LYS 76 N 0.00 0.99 0.02 1.13 1.57 0.84 -1.96 116.57 119.16 3d2n h LYS 76 Ca -0.00 -0.29 -0.20 0.00 -1.87 0.00 0.00 60.65 58.29 3d2n h LYS 76 Cb 0.78 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3d2n h LYS 76 CO 0.05 0.96 -0.94 1.79 -0.57 0.00 0.00 179.45 180.73 3d2n h THR 77 N 0.91 1.61 0.00 -0.16 1.35 -0.90 -1.82 112.91 113.90 3d2n h THR 77 Ca 0.17 -3.02 -0.01 0.00 -0.55 0.00 0.00 66.41 63.00 3d2n h THR 77 Cb 0.50 2.67 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3d2n h THR 77 CO 0.02 0.87 -0.06 -0.61 -0.25 0.00 0.00 175.52 175.50 3d2n h GLN 78 N 0.03 0.00 0.04 4.72 4.15 -1.27 0.65 115.11 123.43 3d2n h GLN 78 Ca -0.03 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.11 3d2n h GLN 78 Cb 1.64 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.30 3d2n h GLN 78 CO 0.13 0.06 -1.49 -0.07 -1.93 0.00 0.00 178.83 175.53 3d2n h LEU 79 N 0.00 0.13 -0.16 -2.39 3.38 -1.04 -2.87 115.31 112.36 3d2n h LEU 79 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3d2n h LEU 79 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3d2n h LEU 79 CO 0.01 1.18 0.07 -0.33 0.09 0.00 0.00 178.44 179.45 3d2n h GLU 80 N 0.02 0.24 -0.27 1.13 5.08 -0.44 -0.40 114.58 119.94 3d2n h GLU 80 Ca -0.21 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3d2n h GLU 80 Cb 1.95 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 31.09 3d2n h GLU 80 CO 0.12 0.31 -0.28 0.82 -1.00 0.00 0.00 179.01 178.98 3d2n h ILE 81 N 0.11 0.33 0.00 3.13 2.04 -1.04 -2.22 117.51 119.85 3d2n h ILE 81 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3d2n h ILE 81 Cb 0.16 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3d2n h ILE 81 CO -0.00 0.00 -0.08 0.78 0.00 0.00 0.00 178.15 178.84 3d2n h ASN 82 N -0.27 0.00 -0.56 1.72 -0.26 -1.30 -1.60 115.58 113.30 3d2n h ASN 82 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.88 3d2n h ASN 82 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 3d2n h ASN 82 CO -0.42 0.08 0.00 0.61 -1.06 0.00 0.00 177.43 176.64 3d2n n GLY 83 N -1.24 2.61 0.02 2.83 0.00 -0.18 -3.23 105.19 106.01 3d2n n GLY 83 Ca -0.03 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.24 3d2n n GLY 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3d2n n ARG 84 N 0.84 0.72 -2.48 1.61 3.00 -0.61 -4.84 116.66 114.89 3d2n n ARG 84 Ca 0.24 -0.11 -0.39 0.00 -0.00 0.00 0.00 57.85 57.59 3d2n n ARG 84 Cb 0.94 -1.36 -0.03 0.00 0.00 0.00 0.00 32.46 32.01 3d2n n ARG 84 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 3d2n s ASN 85 N -3.95 6.35 0.00 6.15 -0.87 -1.15 -5.12 114.94 116.35 3d2n s ASN 85 Ca -0.06 -1.61 0.00 0.00 -1.57 0.00 0.00 52.86 49.62 3d2n s ASN 85 Cb 0.09 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 3d2n s ASN 85 CO 0.62 -1.65 0.00 -0.46 -2.57 0.00 0.00 177.10 173.04