#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n ASN 2 N 0.00 0.00 0.07 6.43 5.15 -1.26 -4.82 115.26 120.84 3i1n n ASN 2 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 3i1n n ASN 2 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.16 3i1n n ASN 2 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3i1n h ILE 3 N 0.00 1.67 -0.09 -1.44 -0.00 -2.05 -3.32 117.51 112.28 3i1n h ILE 3 Ca 0.00 -3.26 0.00 0.00 -0.00 0.00 0.00 64.86 61.60 3i1n h ILE 3 Cb 0.00 2.79 0.00 0.00 -0.00 0.00 0.00 36.82 39.61 3i1n h ILE 3 CO 0.00 0.93 0.00 -0.38 -0.00 0.00 0.00 178.15 178.70 3i1n n ILE 4 N -3.42 0.00 0.00 2.19 5.41 -1.26 -2.07 119.36 120.21 3i1n n ILE 4 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3i1n n ILE 4 Cb 0.92 -0.19 0.00 0.00 -0.71 0.00 0.00 39.64 39.66 3i1n n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i1n n LYS 5 N 0.00 0.00 -0.31 0.38 3.00 -1.26 -1.27 118.16 118.70 3i1n n LYS 5 Ca 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 58.31 58.62 3i1n n LYS 5 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 35.03 35.60 3i1n n LYS 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3i1n n GLN 6 N 0.00 -0.06 0.06 1.64 0.00 -1.25 0.17 117.38 117.94 3i1n n GLN 6 Ca 0.00 1.33 -0.09 0.00 -0.00 0.00 0.00 57.00 58.24 3i1n n GLN 6 Cb 0.00 -2.39 0.03 0.00 0.00 0.00 0.00 30.24 27.88 3i1n n GLN 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3i1n h LEU 7 N 0.00 0.41 0.01 1.69 5.85 -0.60 -3.26 115.31 119.41 3i1n h LEU 7 Ca 0.82 -0.28 -0.35 0.00 0.84 0.00 0.00 57.88 58.92 3i1n h LEU 7 Cb 2.18 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 43.03 3i1n h LEU 7 CO -0.74 1.01 -2.14 -0.62 -0.34 0.00 0.00 178.44 175.62 3i1n n GLU 8 N -3.80 0.67 0.15 1.25 1.02 0.14 -4.23 120.64 115.84 3i1n n GLU 8 Ca -0.04 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3i1n n GLU 8 Cb 0.72 -1.63 0.27 0.00 -0.02 0.00 0.00 31.44 30.77 3i1n n GLU 8 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 3i1n h GLN 9 N 0.01 0.06 0.00 3.49 3.07 0.15 0.11 115.11 122.00 3i1n h GLN 9 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3i1n h GLN 9 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.66 3i1n h GLN 9 CO 0.04 0.51 0.00 -0.85 0.09 0.00 0.00 178.83 178.61 3i1n n GLU 10 N -3.99 0.12 -0.00 0.06 0.28 -1.23 -1.71 120.64 114.17 3i1n n GLU 10 Ca -0.02 0.62 0.07 0.00 -0.16 0.00 0.00 57.16 57.67 3i1n n GLU 10 Cb 0.49 -1.90 -0.10 0.00 1.43 0.00 0.00 31.44 31.36 3i1n n GLU 10 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3i1n n GLN 11 N -2.15 1.39 -2.72 3.44 6.02 0.31 -5.04 117.38 118.63 3i1n n GLN 11 Ca -0.01 -0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.54 3i1n n GLN 11 Cb 0.03 -1.28 -0.06 0.00 1.02 0.00 0.00 30.24 29.96 3i1n n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3i1n s MET 12 N -2.69 4.63 0.29 -1.09 -1.94 -0.69 -5.03 119.30 112.77 3i1n s MET 12 Ca 0.01 1.44 -0.29 0.00 -1.71 0.00 0.00 55.69 55.15 3i1n s MET 12 Cb 0.11 -2.95 -0.09 0.00 2.01 0.00 0.00 34.83 33.90 3i1n s MET 12 CO 0.64 0.30 1.08 0.15 -0.01 0.00 0.00 175.02 177.18 3i1n s LYS 13 N -1.78 4.60 -0.66 2.03 1.02 -1.26 -5.00 119.74 118.69 3i1n s LYS 13 Ca 0.48 1.75 0.05 0.00 0.02 0.00 0.00 55.97 58.27 3i1n s LYS 13 Cb -0.22 -3.13 0.20 0.00 -0.52 0.00 0.00 37.83 34.16 3i1n s LYS 13 CO 0.28 0.20 0.57 0.00 -0.92 0.00 0.00 175.35 175.48 3i1n n GLN 14 N 1.08 1.93 0.00 1.68 10.64 -1.26 -4.53 117.38 126.91 3i1n n GLN 14 Ca -0.01 -4.43 0.00 0.00 -1.83 0.00 0.00 57.00 50.73 3i1n n GLN 14 Cb 0.45 -2.21 0.00 0.00 -0.86 0.00 0.00 30.24 27.63 3i1n n GLN 14 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3i1n n ASP 15 N 1.63 0.00 -4.39 2.61 5.75 -1.26 -5.09 116.55 115.80 3i1n n ASP 15 Ca 0.24 -0.21 -0.54 0.00 -0.01 0.00 0.00 54.79 54.27 3i1n n ASP 15 Cb 0.38 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 3i1n n ASP 15 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3i1n n VAL 16 N 0.00 0.13 -1.46 2.12 0.24 -1.26 -4.89 118.33 113.21 3i1n n VAL 16 Ca 0.00 -0.17 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 3i1n n VAL 16 Cb 0.05 -1.26 0.14 0.00 -1.47 0.00 0.00 33.84 31.31 3i1n n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i1n s PRO 17 N 6.02 0.97 0.05 7.34 0.04 -1.26 -4.98 135.00 143.18 3i1n s PRO 17 Ca 1.12 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 3i1n s PRO 17 Cb -1.07 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 3i1n s PRO 17 CO 0.55 -2.32 0.92 0.45 0.04 0.00 0.00 177.00 176.64 3i1n s SER 18 N -3.90 7.38 0.00 6.66 0.15 -1.26 -5.00 113.70 117.72 3i1n s SER 18 Ca 0.64 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.95 3i1n s SER 18 Cb -0.16 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3i1n s SER 18 CO 0.54 -0.13 0.00 0.49 1.20 0.00 0.00 173.24 175.34 3i1n n PHE 19 N 3.28 0.00 -0.05 3.44 0.99 -1.26 -4.90 117.46 118.95 3i1n n PHE 19 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3i1n n PHE 19 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.98 3i1n n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i1n n ARG 20 N 0.00 0.00 -1.67 -1.08 0.63 -1.26 -4.70 116.66 108.59 3i1n n ARG 20 Ca 0.00 0.05 -0.41 0.00 -0.92 0.00 0.00 57.85 56.57 3i1n n ARG 20 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 3i1n n ARG 20 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3i1n n PRO 21 N -0.20 1.64 0.00 -0.14 -0.04 -1.26 -1.57 135.00 133.42 3i1n n PRO 21 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3i1n n PRO 21 Cb 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 3i1n n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1n n GLY 22 N 0.97 3.09 3.65 0.55 0.00 -0.45 -4.78 105.19 108.22 3i1n n GLY 22 Ca 0.08 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3i1n n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1n n ASP 23 N 0.81 0.11 -0.64 1.61 10.43 -0.61 -3.24 116.55 125.03 3i1n n ASP 23 Ca 0.00 0.36 0.08 0.00 2.57 0.00 0.00 54.79 57.80 3i1n n ASP 23 Cb 0.00 -1.46 0.07 0.00 1.84 0.00 0.00 41.12 41.58 3i1n n ASP 23 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3i1n n THR 24 N -4.34 0.07 0.00 -3.53 5.66 0.86 -1.86 114.28 111.15 3i1n n THR 24 Ca 0.11 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 3i1n n THR 24 Cb 0.52 1.26 0.00 0.00 -1.55 0.00 0.00 70.33 70.56 3i1n n THR 24 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3i1n n VAL 25 N 0.87 0.00 -3.95 1.08 3.14 0.27 -3.66 118.33 116.08 3i1n n VAL 25 Ca 0.10 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.12 3i1n n VAL 25 Cb 0.39 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.04 3i1n n VAL 25 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3i1n s GLU 26 N 0.00 3.49 -0.21 1.45 2.12 0.90 -2.55 118.70 123.90 3i1n s GLU 26 Ca 0.00 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.66 3i1n s GLU 26 Cb 0.00 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 3i1n s GLU 26 CO 0.00 -0.13 0.12 0.08 -0.54 0.00 0.00 175.26 174.79 3i1n s VAL 27 N 1.35 5.20 0.20 3.70 1.01 0.21 -2.00 120.40 130.07 3i1n s VAL 27 Ca 0.04 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 3i1n s VAL 27 Cb -0.15 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3i1n s VAL 27 CO -0.00 0.40 0.61 -0.54 0.00 0.00 0.00 175.10 175.57 3i1n s LYS 28 N 0.69 4.01 -0.12 2.72 1.02 0.11 -0.43 119.74 127.75 3i1n s LYS 28 Ca 0.07 0.56 -0.05 0.00 0.02 0.00 0.00 55.97 56.57 3i1n s LYS 28 Cb -0.12 -2.82 0.06 0.00 -0.52 0.00 0.00 37.83 34.42 3i1n s LYS 28 CO 0.01 0.40 0.26 0.08 -0.92 0.00 0.00 175.35 175.18 3i1n s VAL 29 N -1.59 -0.23 0.21 3.17 1.01 0.11 -3.79 120.40 119.30 3i1n s VAL 29 Ca 0.42 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 3i1n s VAL 29 Cb -0.14 -0.42 -0.11 0.00 0.00 0.00 0.00 36.38 35.72 3i1n s VAL 29 CO 0.20 0.09 1.56 0.26 0.00 0.00 0.00 175.10 177.21 3i1n s TRP 30 N 1.86 2.98 -0.09 5.22 0.52 -0.97 0.52 118.94 128.99 3i1n s TRP 30 Ca -0.04 0.71 -0.07 0.00 0.02 0.00 0.00 56.10 56.72 3i1n s TRP 30 Cb -0.11 -3.95 0.03 0.00 -1.15 0.00 0.00 33.47 28.28 3i1n s TRP 30 CO -0.09 -3.40 0.22 0.54 0.02 0.00 0.00 176.95 174.25 3i1n s VAL 31 N 0.70 -0.01 -0.56 4.03 0.11 -0.34 -4.90 120.40 119.43 3i1n s VAL 31 Ca 0.67 0.05 -0.27 0.00 -2.93 0.00 0.00 61.98 59.50 3i1n s VAL 31 Cb -0.45 -0.32 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 3i1n s VAL 31 CO 0.37 0.02 1.60 -0.69 -3.33 0.00 0.00 175.10 173.07 3i1n s VAL 32 N 0.50 3.60 0.00 2.04 1.01 -1.26 -2.60 120.40 123.69 3i1n s VAL 32 Ca -0.03 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3i1n s VAL 32 Cb -0.05 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3i1n s VAL 32 CO -0.03 -1.04 0.00 1.21 0.00 0.00 0.00 175.10 175.24 3i1n n GLU 33 N 8.85 0.00 0.00 2.72 4.07 0.42 -4.85 120.64 131.85 3i1n n GLU 33 Ca 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.26 3i1n n GLU 33 Cb 0.50 -0.31 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 3i1n n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i1n n GLY 34 N 0.00 0.17 0.00 8.31 0.00 -1.26 -4.84 105.19 107.57 3i1n n GLY 34 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i1n n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1n n SER 35 N -1.23 0.91 -4.38 1.61 7.64 -1.26 -5.06 113.62 111.85 3i1n n SER 35 Ca 0.00 -0.40 -0.29 0.00 1.01 0.00 0.00 58.87 59.19 3i1n n SER 35 Cb 0.00 0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 64.11 3i1n n SER 35 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i1n s LYS 36 N -1.17 2.05 -0.43 1.43 3.01 -1.26 -5.11 119.74 118.26 3i1n s LYS 36 Ca 0.00 -2.28 0.08 0.00 -1.01 0.00 0.00 55.97 52.75 3i1n s LYS 36 Cb 0.00 -1.00 0.26 0.00 -1.01 0.00 0.00 37.83 36.08 3i1n s LYS 36 CO 0.00 -0.44 0.69 0.36 0.51 0.00 0.00 175.35 176.48 3i1n n LYS 37 N -1.07 0.77 -1.11 1.68 0.00 -1.26 0.16 118.16 117.33 3i1n n LYS 37 Ca -0.12 -2.67 -0.02 0.00 -0.00 0.00 0.00 58.31 55.51 3i1n n LYS 37 Cb 0.66 -1.33 0.01 0.00 -0.00 0.00 0.00 35.03 34.36 3i1n n LYS 37 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i1n n ARG 38 N 1.34 0.93 -3.74 -1.58 1.85 -1.07 -4.75 116.66 109.63 3i1n n ARG 38 Ca 0.17 -0.23 -0.34 0.00 -1.00 0.00 0.00 57.85 56.44 3i1n n ARG 38 Cb 0.58 -0.02 -0.05 0.00 -1.05 0.00 0.00 32.46 31.92 3i1n n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i1n s LEU 39 N 0.00 4.36 0.12 2.89 1.02 -1.26 -1.20 118.68 124.61 3i1n s LEU 39 Ca 0.05 0.57 0.09 0.00 0.02 0.00 0.00 54.13 54.86 3i1n s LEU 39 Cb -0.00 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.41 3i1n s LEU 39 CO 0.03 0.23 -0.19 -1.58 0.02 0.00 0.00 176.35 174.86 3i1n s GLN 40 N -1.86 1.74 -0.14 1.70 0.74 0.18 -4.86 119.66 117.16 3i1n s GLN 40 Ca 0.29 -1.20 -0.03 0.00 0.05 0.00 0.00 55.36 54.47 3i1n s GLN 40 Cb -0.13 -2.09 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 3i1n s GLN 40 CO 0.17 0.48 -0.04 0.00 -0.55 0.00 0.00 175.29 175.35 3i1n s ALA 41 N -1.14 3.00 -0.07 1.58 0.00 -1.26 0.08 121.76 123.94 3i1n s ALA 41 Ca 0.18 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3i1n s ALA 41 Cb -0.10 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3i1n s ALA 41 CO 0.10 0.26 -0.17 0.12 0.00 0.00 0.00 175.76 176.07 3i1n s PHE 42 N 0.21 1.85 -0.08 0.00 2.19 0.43 -4.99 117.98 117.58 3i1n s PHE 42 Ca -0.03 -0.70 -0.03 0.00 0.33 0.00 0.00 56.93 56.50 3i1n s PHE 42 Cb -0.14 -1.29 0.05 0.00 -1.31 0.00 0.00 43.02 40.33 3i1n s PHE 42 CO 0.03 -0.31 0.17 -2.00 1.83 0.00 0.00 175.22 174.94 3i1n s GLU 43 N 0.49 0.08 0.00 10.12 2.12 -1.26 0.67 118.70 130.91 3i1n s GLU 43 Ca -0.15 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.70 3i1n s GLU 43 Cb -0.16 -0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.02 3i1n s GLU 43 CO 0.05 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 3i1n n GLY 44 N 4.88 2.03 3.75 -1.50 0.00 -1.06 -4.84 105.19 108.46 3i1n n GLY 44 Ca -0.13 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 3i1n n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1n s VAL 45 N -2.79 5.05 -0.17 1.61 1.01 -0.48 -3.81 120.40 120.82 3i1n s VAL 45 Ca 0.00 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 3i1n s VAL 45 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3i1n s VAL 45 CO 0.00 0.39 1.57 -0.69 0.00 0.00 0.00 175.10 176.37 3i1n s VAL 46 N 0.10 3.76 -0.95 2.92 1.01 -0.78 -0.91 120.40 125.55 3i1n s VAL 46 Ca 0.28 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.23 3i1n s VAL 46 Cb -0.17 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.56 3i1n s VAL 46 CO 0.14 -0.21 0.69 2.30 0.00 0.00 0.00 175.10 178.02 3i1n n ILE 47 N 6.00 0.00 -3.46 2.22 -5.35 -0.18 -1.34 119.36 117.25 3i1n n ILE 47 Ca 0.18 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 62.06 3i1n n ILE 47 Cb 0.45 1.15 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 3i1n n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1n s ALA 48 N -0.91 -1.69 -0.05 -1.28 0.00 -1.23 -0.18 121.76 116.42 3i1n s ALA 48 Ca 0.09 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.85 3i1n s ALA 48 Cb 0.07 0.53 0.04 0.00 0.00 0.00 0.00 23.12 23.75 3i1n s ALA 48 CO 0.15 -0.64 0.11 0.42 0.00 0.00 0.00 175.76 175.79 3i1n s ILE 49 N -2.93 -0.10 0.00 0.00 1.01 -1.26 -2.20 121.20 115.71 3i1n s ILE 49 Ca -0.01 0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3i1n s ILE 49 Cb -0.01 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.26 3i1n s ILE 49 CO -0.06 0.11 0.00 -2.11 0.00 0.00 0.00 174.94 172.87 3i1n n ARG 50 N 4.58 0.00 -0.88 2.79 -4.01 0.06 -4.99 116.66 114.21 3i1n n ARG 50 Ca -0.19 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.62 3i1n n ARG 50 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 3i1n n ARG 50 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3i1n n ASN 51 N 0.00 -1.17 -2.71 2.89 3.02 -1.26 -4.90 115.26 111.12 3i1n n ASN 51 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 3i1n n ASN 51 Cb 0.00 -0.59 0.09 0.00 -0.61 0.00 0.00 39.78 38.68 3i1n n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1n n ARG 52 N -0.31 0.92 0.00 3.52 5.12 -1.26 -4.90 116.66 119.74 3i1n n ARG 52 Ca 0.00 -1.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.19 3i1n n ARG 52 Cb 0.02 -0.73 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 3i1n n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1n n GLY 53 N 0.19 2.38 0.33 -0.13 0.00 -1.26 0.17 105.19 106.87 3i1n n GLY 53 Ca 0.02 0.15 0.19 0.00 0.00 0.00 0.00 46.02 46.38 3i1n n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i1n h LEU 54 N 0.00 0.00 -1.79 0.99 5.85 -1.99 -1.10 115.31 117.27 3i1n h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i1n h LEU 54 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i1n h LEU 54 CO 0.00 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.51 3i1n n HIS 55 N -3.37 0.21 -1.58 1.25 8.25 0.45 -4.64 115.22 115.79 3i1n n HIS 55 Ca -0.01 -0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 3i1n n HIS 55 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3i1n n HIS 55 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1n n SER 56 N 1.07 0.92 -3.66 0.41 7.64 -0.42 -4.75 113.62 114.82 3i1n n SER 56 Ca 0.17 1.05 -0.12 0.00 1.01 0.00 0.00 58.87 60.98 3i1n n SER 56 Cb 0.52 -1.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.34 3i1n n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1n s ALA 57 N -1.26 -1.54 0.33 -0.43 0.00 -1.26 -1.52 121.76 116.09 3i1n s ALA 57 Ca 0.62 1.86 0.07 0.00 0.00 0.00 0.00 51.96 54.51 3i1n s ALA 57 Cb -0.60 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 3i1n s ALA 57 CO 0.58 -0.31 0.30 -0.59 0.00 0.00 0.00 175.76 175.74 3i1n s PHE 58 N 0.75 2.92 -0.14 0.00 -0.12 -0.98 -0.76 117.98 119.64 3i1n s PHE 58 Ca -0.03 -0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 3i1n s PHE 58 Cb -0.05 -1.80 0.02 0.00 -0.63 0.00 0.00 43.02 40.55 3i1n s PHE 58 CO -0.05 0.18 -0.18 0.99 -0.05 0.00 0.00 175.22 176.10 3i1n s THR 59 N -2.30 1.81 -0.24 -4.49 2.01 -0.93 -1.82 115.64 109.68 3i1n s THR 59 Ca 0.41 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 3i1n s THR 59 Cb -0.06 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.84 3i1n s THR 59 CO 0.27 0.50 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.92 3i1n s VAL 60 N 1.09 2.68 0.25 3.82 1.01 0.36 -1.01 120.40 128.61 3i1n s VAL 60 Ca -0.02 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 3i1n s VAL 60 Cb -0.14 -2.35 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 3i1n s VAL 60 CO -0.06 0.23 0.69 -0.60 0.00 0.00 0.00 175.10 175.36 3i1n s ARG 61 N 1.30 4.06 0.00 2.72 3.00 -0.09 -1.64 118.95 128.30 3i1n s ARG 61 Ca 0.00 0.67 0.00 0.00 -1.00 0.00 0.00 55.73 55.40 3i1n s ARG 61 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 34.95 32.11 3i1n s ARG 61 CO -0.06 0.30 0.00 1.17 0.00 0.00 0.00 175.30 176.71 3i1n n LYS 62 N 0.19 0.00 -3.34 5.12 4.81 -0.47 -1.39 118.16 123.08 3i1n n LYS 62 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3i1n n LYS 62 Cb 0.52 -0.57 0.01 0.00 0.02 0.00 0.00 35.03 35.01 3i1n n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i1n n ILE 63 N -2.03 -7.82 -3.20 3.15 5.41 -1.26 -4.85 119.36 108.77 3i1n n ILE 63 Ca 0.00 -0.36 -0.39 0.00 1.00 0.00 0.00 62.75 63.00 3i1n n ILE 63 Cb 0.18 -5.56 -0.06 0.00 -0.71 0.00 0.00 39.64 33.49 3i1n n ILE 63 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i1n s SER 64 N -3.08 6.98 0.00 4.38 0.15 -0.58 -4.80 113.70 116.74 3i1n s SER 64 Ca 0.09 1.16 0.00 0.00 0.70 0.00 0.00 55.95 57.91 3i1n s SER 64 Cb -0.03 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3i1n s SER 64 CO 0.80 0.09 0.00 -0.46 1.20 0.00 0.00 173.24 174.87 3i1n n ASN 65 N 2.78 0.00 0.00 5.45 6.94 -1.26 -2.70 115.26 126.47 3i1n n ASN 65 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 3i1n n ASN 65 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 3i1n n ASN 65 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1n n GLY 66 N 0.25 1.00 0.00 4.83 0.00 -1.26 -4.98 105.19 105.04 3i1n n GLY 66 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3i1n n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1n n GLU 67 N 0.00 0.29 -1.77 1.61 4.07 -1.10 -5.08 120.64 118.66 3i1n n GLU 67 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 3i1n n GLU 67 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 3i1n n GLU 67 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3i1n s GLY 68 N -0.77 1.80 -0.09 8.31 0.00 -1.26 -1.53 107.32 113.77 3i1n s GLY 68 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.82 3i1n s GLY 68 CO 0.00 0.45 0.21 0.54 0.00 0.00 0.00 173.10 174.30 3i1n s VAL 69 N -2.89 -0.05 -0.10 1.40 0.11 -1.26 -4.73 120.40 112.88 3i1n s VAL 69 Ca 0.59 0.16 -0.03 0.00 -2.93 0.00 0.00 61.98 59.77 3i1n s VAL 69 Cb -0.14 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3i1n s VAL 69 CO 0.49 0.07 0.02 -1.61 -3.33 0.00 0.00 175.10 170.74 3i1n s GLU 70 N 1.24 3.12 -0.03 1.54 2.02 -1.26 -1.37 118.70 123.97 3i1n s GLU 70 Ca -0.09 -0.37 0.06 0.00 0.02 0.00 0.00 54.97 54.59 3i1n s GLU 70 Cb -0.11 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 3i1n s GLU 70 CO -0.08 0.68 -0.21 0.50 0.02 0.00 0.00 175.26 176.17 3i1n s ARG 71 N -0.80 1.81 -0.46 1.61 3.52 -0.65 -4.94 118.95 119.04 3i1n s ARG 71 Ca 0.12 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 54.97 3i1n s ARG 71 Cb -0.12 -1.69 0.12 0.00 -1.56 0.00 0.00 34.95 31.70 3i1n s ARG 71 CO 0.02 0.41 0.23 0.14 -0.81 0.00 0.00 175.30 175.30 3i1n s VAL 72 N -0.37 3.07 0.42 7.11 -7.23 -1.26 -0.49 120.40 121.66 3i1n s VAL 72 Ca 0.05 -2.51 -0.23 0.00 -1.81 0.00 0.00 61.98 57.47 3i1n s VAL 72 Cb -0.09 -3.11 -0.09 0.00 0.56 0.00 0.00 36.38 33.65 3i1n s VAL 72 CO 0.00 -0.73 1.06 -0.36 -0.31 0.00 0.00 175.10 174.76 3i1n s PHE 73 N 0.60 3.17 -0.61 2.82 0.08 -0.76 -4.89 117.98 118.39 3i1n s PHE 73 Ca 0.12 1.62 -0.17 0.00 0.12 0.00 0.00 56.93 58.62 3i1n s PHE 73 Cb -0.22 -3.14 0.13 0.00 -0.57 0.00 0.00 43.02 39.22 3i1n s PHE 73 CO -0.04 -0.75 0.65 -0.65 -0.10 0.00 0.00 175.22 174.32 3i1n s GLN 74 N -2.67 3.11 0.51 0.44 -1.52 -1.26 -2.32 119.66 115.95 3i1n s GLN 74 Ca 0.60 -1.63 0.23 0.00 -1.95 0.00 0.00 55.36 52.62 3i1n s GLN 74 Cb -0.21 -4.33 1.32 0.00 -0.22 0.00 0.00 33.01 29.57 3i1n s GLN 74 CO 0.27 -1.44 1.97 1.79 -0.25 0.00 0.00 175.29 177.63 3i1n h THR 75 N 5.78 0.74 -0.01 -0.19 1.35 -1.61 0.33 112.91 119.30 3i1n h THR 75 Ca -0.23 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3i1n h THR 75 Cb 1.08 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3i1n h THR 75 CO 1.04 0.02 -0.00 1.41 -0.25 0.00 0.00 175.52 177.73 3i1n n HIS 76 N -4.39 0.00 -2.26 4.73 8.25 -1.26 -4.86 115.22 115.43 3i1n n HIS 76 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 3i1n n HIS 76 Cb 0.61 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 3i1n n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i1n s SER 77 N -2.02 6.95 0.50 0.41 0.15 0.12 -4.80 113.70 115.01 3i1n s SER 77 Ca 0.43 2.40 0.33 0.00 0.70 0.00 0.00 55.95 59.82 3i1n s SER 77 Cb 0.22 -2.62 1.45 0.00 -1.71 0.00 0.00 66.02 63.35 3i1n s SER 77 CO 0.36 -0.45 1.76 -0.65 1.20 0.00 0.00 173.24 175.46 3i1n h PRO 78 N 4.82 0.10 0.00 5.44 0.11 -1.89 -1.08 132.00 139.49 3i1n h PRO 78 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i1n h PRO 78 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i1n h PRO 78 CO 0.73 0.07 0.00 1.33 -0.21 0.00 0.00 178.00 179.92 3i1n n VAL 79 N -4.32 0.25 -0.04 3.15 0.24 -1.26 -3.50 118.33 112.86 3i1n n VAL 79 Ca 0.28 0.06 -0.00 0.00 -2.04 0.00 0.00 64.34 62.64 3i1n n VAL 79 Cb 1.23 -0.69 -0.00 0.00 -1.47 0.00 0.00 33.84 32.91 3i1n n VAL 79 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i1n h VAL 80 N 0.00 0.00 0.00 3.34 2.07 -1.45 -2.56 116.25 117.64 3i1n h VAL 80 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3i1n h VAL 80 Cb 0.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3i1n h VAL 80 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 3i1n n ASP 81 N -4.00 0.00 -3.81 0.57 2.03 -1.23 -3.75 116.55 106.36 3i1n n ASP 81 Ca -0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 3i1n n ASP 81 Cb 0.00 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.23 3i1n n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i1n s SER 82 N 0.00 0.81 -0.10 1.67 0.15 -1.25 -5.04 113.70 109.94 3i1n s SER 82 Ca 0.00 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 3i1n s SER 82 Cb 0.00 -0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.04 3i1n s SER 82 CO 0.00 -0.12 -0.03 -0.51 1.20 0.00 0.00 173.24 173.78 3i1n s ILE 83 N 1.29 0.65 0.25 6.45 -1.16 -1.26 0.06 121.20 127.48 3i1n s ILE 83 Ca -0.06 -0.11 0.06 0.00 -0.51 0.00 0.00 60.65 60.03 3i1n s ILE 83 Cb -0.13 -0.79 -0.05 0.00 0.61 0.00 0.00 42.46 42.10 3i1n s ILE 83 CO -0.02 0.25 -0.05 -0.94 -2.81 0.00 0.00 174.94 171.37 3i1n s SER 84 N 1.86 2.41 -0.05 4.50 1.04 -0.85 -4.64 113.70 117.97 3i1n s SER 84 Ca 0.04 -1.18 -0.03 0.00 0.48 0.00 0.00 55.95 55.26 3i1n s SER 84 Cb -0.13 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 3i1n s SER 84 CO -0.07 -0.38 -0.06 1.62 0.98 0.00 0.00 173.24 175.33 3i1n h VAL 85 N 2.38 0.00 0.00 5.02 3.04 -1.91 0.26 116.25 125.04 3i1n h VAL 85 Ca -0.39 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.90 3i1n h VAL 85 Cb 1.23 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3i1n h VAL 85 CO 0.66 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.51 3i1n n LYS 86 N -3.18 0.00 -4.09 4.17 4.76 -1.26 0.96 118.16 119.52 3i1n n LYS 86 Ca -0.02 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.28 3i1n n LYS 86 Cb 0.09 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.16 3i1n n LYS 86 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i1n s ARG 87 N 0.00 0.58 -0.43 1.97 3.52 -1.26 -5.01 118.95 118.31 3i1n s ARG 87 Ca 0.00 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 3i1n s ARG 87 Cb 0.00 -0.39 0.12 0.00 -1.56 0.00 0.00 34.95 33.11 3i1n s ARG 87 CO 0.00 0.08 0.16 0.50 -0.81 0.00 0.00 175.30 175.23 3i1n s ARG 88 N -1.53 1.76 0.34 5.12 3.52 -1.26 -0.09 118.95 126.81 3i1n s ARG 88 Ca -0.08 -2.22 -0.15 0.00 -0.13 0.00 0.00 55.73 53.15 3i1n s ARG 88 Cb -0.10 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 29.91 3i1n s ARG 88 CO 0.01 -1.03 0.76 0.20 -0.81 0.00 0.00 175.30 174.43 3i1n s GLY 89 N 0.44 2.31 -0.21 8.12 0.00 -1.20 0.56 107.32 117.34 3i1n s GLY 89 Ca 0.14 0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 3i1n s GLY 89 CO -0.04 0.28 0.01 0.00 0.00 0.00 0.00 173.10 173.34 3i1n s ALA 90 N -2.04 3.02 0.00 3.20 0.00 -0.77 -4.30 121.76 120.88 3i1n s ALA 90 Ca 0.55 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3i1n s ALA 90 Cb -0.10 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3i1n s ALA 90 CO 0.18 -0.23 0.00 1.33 0.00 0.00 0.00 175.76 177.04 3i1n n VAL 91 N 4.42 0.00 -3.59 0.00 0.24 -1.26 -4.15 118.33 113.98 3i1n n VAL 91 Ca -0.17 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.80 3i1n n VAL 91 Cb 0.52 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.91 3i1n n VAL 91 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i1n n ARG 92 N -0.20 -1.81 0.00 7.34 1.85 -1.26 -4.94 116.66 117.64 3i1n n ARG 92 Ca 0.00 1.22 0.00 0.00 -1.00 0.00 0.00 57.85 58.07 3i1n n ARG 92 Cb 0.00 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.16 3i1n n ARG 92 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i1n n LYS 93 N -1.03 0.00 0.10 2.89 3.00 -1.26 -5.07 118.16 116.79 3i1n n LYS 93 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.91 3i1n n LYS 93 Cb 0.68 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.56 3i1n n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1n h ALA 94 N 0.00 0.01 -3.39 3.14 0.00 -1.96 -3.43 119.26 113.63 3i1n h ALA 94 Ca 0.00 -1.02 -0.68 0.00 0.00 0.00 0.00 54.91 53.21 3i1n h ALA 94 Cb 0.00 0.34 -0.32 0.00 0.00 0.00 0.00 17.79 17.81 3i1n h ALA 94 CO 0.00 0.87 -0.71 0.15 0.00 0.00 0.00 179.25 179.56 3i1n s LYS 95 N -2.58 2.61 -0.16 0.00 3.01 -1.26 -4.49 119.74 116.86 3i1n s LYS 95 Ca -0.13 -1.14 0.00 0.00 -1.01 0.00 0.00 55.97 53.69 3i1n s LYS 95 Cb 0.05 -3.14 0.15 0.00 -1.01 0.00 0.00 37.83 33.88 3i1n s LYS 95 CO 0.89 -0.54 1.69 1.28 0.51 0.00 0.00 175.35 179.18 3i1n n LEU 96 N 4.66 5.16 0.27 3.17 4.32 0.75 -4.55 117.00 130.79 3i1n n LEU 96 Ca -0.14 -2.57 0.13 0.00 -0.02 0.00 0.00 56.01 53.41 3i1n n LEU 96 Cb 0.45 -0.88 0.80 0.00 -1.62 0.00 0.00 43.42 42.17 3i1n n LEU 96 CO 0.27 0.93 1.11 1.88 -1.22 0.00 0.00 177.39 180.36 3i1n h TYR 97 N 0.85 0.00 0.00 -1.77 0.99 -1.95 -1.72 116.97 113.36 3i1n h TYR 97 Ca 0.17 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.90 3i1n h TYR 97 Cb 1.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.92 3i1n h TYR 97 CO 0.51 0.00 0.00 0.10 -0.00 0.00 0.00 178.16 178.77 3i1n h TYR 98 N 0.00 0.00 0.00 4.88 -0.00 -1.97 0.08 116.97 119.96 3i1n h TYR 98 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.73 3i1n h TYR 98 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.79 3i1n h TYR 98 CO 0.00 0.00 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.05 3i1n h LEU 99 N 0.00 0.00 -1.47 0.10 4.07 -1.70 -2.79 115.31 113.53 3i1n h LEU 99 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i1n h LEU 99 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 3i1n h LEU 99 CO 0.00 0.04 0.00 0.03 -1.08 0.00 0.00 178.44 177.43 3i1n h ARG 100 N 0.00 0.00 -0.86 1.13 3.08 -1.20 -2.54 114.38 113.99 3i1n h ARG 100 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3i1n h ARG 100 Cb 0.12 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.87 3i1n h ARG 100 CO 0.01 0.00 0.35 0.39 -1.07 0.00 0.00 179.97 179.65 3i1n n GLU 101 N -2.52 2.71 0.00 0.04 1.02 -1.05 -4.81 120.64 116.03 3i1n n GLU 101 Ca -0.00 -3.43 0.00 0.00 -0.02 0.00 0.00 57.16 53.71 3i1n n GLU 101 Cb 0.14 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3i1n n GLU 101 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1n n ARG 102 N -0.94 0.00 -2.91 3.49 1.74 -0.96 -5.07 116.66 112.02 3i1n n ARG 102 Ca 0.55 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.61 3i1n n ARG 102 Cb 0.93 -0.43 -0.02 0.00 -1.02 0.00 0.00 32.46 31.93 3i1n n ARG 102 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3i1n n THR 103 N -2.51 -5.64 -1.21 0.55 5.66 -1.26 -4.46 114.28 105.40 3i1n n THR 103 Ca 0.00 1.08 0.14 0.00 -3.05 0.00 0.00 64.05 62.21 3i1n n THR 103 Cb 0.26 -4.12 -0.06 0.00 -1.55 0.00 0.00 70.33 64.86 3i1n n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1n n GLY 104 N 2.09 -2.09 5.61 1.09 0.00 -1.26 -4.50 105.19 106.12 3i1n n GLY 104 Ca -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i1n n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1n n LYS 105 N -3.80 0.00 0.14 1.61 4.76 -1.26 -1.05 118.16 118.57 3i1n n LYS 105 Ca -0.04 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.50 3i1n n LYS 105 Cb 0.61 0.00 0.52 0.00 -1.84 0.00 0.00 35.03 34.32 3i1n n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1n n ALA 106 N 1.80 1.05 0.66 7.82 0.00 -1.26 -1.92 120.51 128.66 3i1n n ALA 106 Ca 0.00 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.73 3i1n n ALA 106 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3i1n n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1n n ALA 107 N -1.75 3.65 -1.00 0.00 0.00 -0.21 -4.93 120.51 116.27 3i1n n ALA 107 Ca -0.01 -0.45 -0.30 0.00 0.00 0.00 0.00 53.44 52.68 3i1n n ALA 107 Cb 0.03 -0.93 0.16 0.00 0.00 0.00 0.00 19.45 18.71 3i1n n ALA 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1n s ARG 108 N -3.16 0.92 -0.00 0.00 0.52 -0.81 -4.92 118.95 111.50 3i1n s ARG 108 Ca 0.04 1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 56.21 3i1n s ARG 108 Cb 0.15 -1.76 -0.00 0.00 0.52 0.00 0.00 34.95 33.86 3i1n s ARG 108 CO 0.81 -2.52 0.07 0.96 0.02 0.00 0.00 175.30 174.64 3i1n s ILE 109 N -2.79 0.06 1.29 1.52 -4.36 -1.26 -5.03 121.20 110.63 3i1n s ILE 109 Ca 0.65 -0.53 -0.18 0.00 -0.26 0.00 0.00 60.65 60.32 3i1n s ILE 109 Cb -0.20 -0.28 0.30 0.00 1.25 0.00 0.00 42.46 43.53 3i1n s ILE 109 CO 0.58 -0.29 0.78 0.29 0.24 0.00 0.00 174.94 176.54 3i1n n LYS 110 N 2.01 -3.43 -4.20 0.37 4.76 -1.26 -4.78 118.16 111.63 3i1n n LYS 110 Ca -0.20 -1.00 -0.27 0.00 -2.87 0.00 0.00 58.31 53.97 3i1n n LYS 110 Cb 0.57 -1.94 -0.08 0.00 -1.84 0.00 0.00 35.03 31.73 3i1n n LYS 110 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i1n s GLU 111 N -4.46 2.40 0.10 1.97 8.01 -1.26 -1.85 118.70 123.60 3i1n s GLU 111 Ca 0.64 -1.08 0.26 0.00 0.01 0.00 0.00 54.97 54.80 3i1n s GLU 111 Cb -0.17 -2.37 0.72 0.00 -4.31 0.00 0.00 34.13 28.01 3i1n s GLU 111 CO 0.59 0.47 1.62 0.54 0.01 0.00 0.00 175.26 178.49 3i1n n ARG 112 N -0.01 0.17 -3.51 1.61 1.74 0.19 -4.55 116.66 112.30 3i1n n ARG 112 Ca -0.10 0.09 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 3i1n n ARG 112 Cb 0.55 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3i1n n ARG 112 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 3i1n n LEU 113 N -1.91 -1.07 0.00 0.55 -0.00 -1.26 -5.03 117.00 108.28 3i1n n LEU 113 Ca 0.05 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.33 3i1n n LEU 113 Cb 0.40 -1.12 0.00 0.00 -0.00 0.00 0.00 43.42 42.70 3i1n n LEU 113 CO 0.32 0.34 0.00 -0.46 -0.00 0.00 0.00 177.39 177.59