#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n ASN 2 N 0.00 0.00 -0.06 6.43 5.03 -1.26 -1.95 115.26 123.45 3i22 n ASN 2 Ca 0.00 -0.06 -0.01 0.00 0.87 0.00 0.00 54.58 55.38 3i22 n ASN 2 Cb 0.00 -0.24 -0.15 0.00 -1.02 0.00 0.00 39.78 38.38 3i22 n ASN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i22 n ILE 3 N -1.24 0.73 0.06 2.41 0.13 -1.26 -2.84 119.36 117.36 3i22 n ILE 3 Ca 0.09 -0.63 -0.06 0.00 -1.10 0.00 0.00 62.75 61.04 3i22 n ILE 3 Cb 0.12 -0.29 0.03 0.00 -0.84 0.00 0.00 39.64 38.67 3i22 n ILE 3 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3i22 n ILE 4 N -2.47 1.82 0.16 9.51 5.41 -0.82 -2.57 119.36 130.41 3i22 n ILE 4 Ca -0.19 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 62.90 3i22 n ILE 4 Cb 0.85 -1.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 3i22 n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i22 n LYS 5 N 0.43 0.00 -0.25 0.38 4.81 -1.19 -4.64 118.16 117.69 3i22 n LYS 5 Ca 0.14 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.77 3i22 n LYS 5 Cb 0.68 0.00 0.51 0.00 0.02 0.00 0.00 35.03 36.24 3i22 n LYS 5 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3i22 h GLN 6 N 0.00 0.40 0.02 1.64 -0.00 -1.65 0.12 115.11 115.64 3i22 h GLN 6 Ca 0.00 -0.02 -0.21 0.00 -0.00 0.00 0.00 58.65 58.42 3i22 h GLN 6 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 27.37 3i22 h GLN 6 CO 0.00 0.26 -0.98 1.25 0.00 0.00 0.00 178.83 179.36 3i22 h LEU 7 N 0.41 0.12 0.20 -2.39 5.85 -1.76 -3.10 115.31 114.63 3i22 h LEU 7 Ca 0.48 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 3i22 h LEU 7 Cb 1.19 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3i22 h LEU 7 CO -0.18 1.02 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.51 3i22 h GLU 8 N 0.03 -0.26 0.00 1.25 5.08 -1.09 -3.32 114.58 116.28 3i22 h GLU 8 Ca -0.04 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i22 h GLU 8 Cb 1.69 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.00 3i22 h GLU 8 CO 0.14 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 3i22 n GLN 9 N -4.94 0.72 0.00 2.33 10.64 0.14 -0.92 117.38 125.35 3i22 n GLN 9 Ca -0.06 0.01 0.06 0.00 -1.83 0.00 0.00 57.00 55.17 3i22 n GLN 9 Cb 0.22 -1.50 0.26 0.00 -0.86 0.00 0.00 30.24 28.36 3i22 n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3i22 n GLU 10 N -1.02 0.00 0.00 2.61 2.13 -1.17 -3.07 120.64 120.12 3i22 n GLU 10 Ca 0.18 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.28 3i22 n GLU 10 Cb 0.09 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.30 3i22 n GLU 10 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3i22 n GLN 11 N -1.50 -0.51 -2.59 5.31 6.02 -0.10 -5.01 117.38 119.00 3i22 n GLN 11 Ca 0.03 -0.31 -0.43 0.00 -0.01 0.00 0.00 57.00 56.28 3i22 n GLN 11 Cb 0.14 -0.79 -0.02 0.00 1.02 0.00 0.00 30.24 30.60 3i22 n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3i22 s MET 12 N -0.01 3.83 1.26 -1.09 -1.94 -1.16 -5.01 119.30 115.17 3i22 s MET 12 Ca 0.00 0.79 -0.17 0.00 -1.71 0.00 0.00 55.69 54.60 3i22 s MET 12 Cb 0.00 -3.86 0.31 0.00 2.01 0.00 0.00 34.83 33.29 3i22 s MET 12 CO 0.00 -1.23 1.00 -1.59 -0.01 0.00 0.00 175.02 173.19 3i22 s LYS 13 N 4.22 -1.64 -0.03 2.03 0.00 -1.26 -4.98 119.74 118.07 3i22 s LYS 13 Ca 0.48 0.49 0.04 0.00 0.00 0.00 0.00 55.97 56.99 3i22 s LYS 13 Cb -0.10 -1.50 0.07 0.00 0.00 0.00 0.00 37.83 36.30 3i22 s LYS 13 CO 0.26 -4.11 0.90 1.04 0.00 0.00 0.00 175.35 173.44 3i22 n GLN 14 N -5.14 1.00 0.01 1.78 1.13 -1.26 -4.81 117.38 110.10 3i22 n GLN 14 Ca 0.07 -1.35 0.06 0.00 -1.94 0.00 0.00 57.00 53.84 3i22 n GLN 14 Cb 0.57 -0.85 -0.11 0.00 0.11 0.00 0.00 30.24 29.96 3i22 n GLN 14 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3i22 n ASP 15 N -0.45 0.36 -4.68 1.08 10.43 -1.26 -4.97 116.55 117.06 3i22 n ASP 15 Ca 0.04 0.15 -0.42 0.00 2.57 0.00 0.00 54.79 57.12 3i22 n ASP 15 Cb 0.53 1.15 -0.03 0.00 1.84 0.00 0.00 41.12 44.61 3i22 n ASP 15 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i22 s VAL 16 N -3.22 3.44 0.87 2.53 1.01 -1.26 -5.00 120.40 118.75 3i22 s VAL 16 Ca -0.06 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 3i22 s VAL 16 Cb 0.11 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 33.16 3i22 s VAL 16 CO 0.85 -0.03 1.21 -2.84 0.00 0.00 0.00 175.10 174.30 3i22 s PRO 17 N 3.17 1.25 -0.42 2.72 0.02 -1.26 -5.01 135.00 135.47 3i22 s PRO 17 Ca 0.71 -0.36 -0.29 0.00 0.02 0.00 0.00 61.00 61.08 3i22 s PRO 17 Cb -0.35 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.22 3i22 s PRO 17 CO 0.29 -1.97 1.32 -1.54 -0.33 0.00 0.00 177.00 174.77 3i22 s SER 18 N -4.76 6.47 0.00 2.53 1.04 -1.26 -4.95 113.70 112.77 3i22 s SER 18 Ca 0.69 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.89 3i22 s SER 18 Cb -0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3i22 s SER 18 CO 0.50 -1.33 0.41 0.49 0.98 0.00 0.00 173.24 174.29 3i22 n PHE 19 N 8.38 0.00 -1.19 5.02 0.99 -1.26 -5.08 117.46 124.33 3i22 n PHE 19 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 3i22 n PHE 19 Cb 0.48 -0.50 0.00 0.00 -1.00 0.00 0.00 39.48 38.46 3i22 n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i22 n ARG 20 N -1.99 -2.27 -1.47 -1.08 3.00 -1.26 -4.63 116.66 106.96 3i22 n ARG 20 Ca 0.00 1.91 -0.48 0.00 -0.00 0.00 0.00 57.85 59.27 3i22 n ARG 20 Cb 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 32.46 30.60 3i22 n ARG 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3i22 n PRO 21 N 0.78 1.12 0.00 -0.14 -0.04 -1.26 -3.22 135.00 132.23 3i22 n PRO 21 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3i22 n PRO 21 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 3i22 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i22 n GLY 22 N 6.43 1.05 0.00 0.55 0.00 0.18 -4.56 105.19 108.85 3i22 n GLY 22 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3i22 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i22 n ASP 23 N 0.00 0.00 0.00 1.61 10.43 -1.20 -3.44 116.55 123.95 3i22 n ASP 23 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3i22 n ASP 23 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3i22 n ASP 23 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3i22 n THR 24 N 0.00 0.00 0.00 -3.53 -2.24 -1.26 -3.25 114.28 104.00 3i22 n THR 24 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i22 n THR 24 Cb 0.00 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3i22 n THR 24 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3i22 n VAL 25 N 0.00 0.00 -2.30 2.28 0.24 -1.26 -2.92 118.33 114.37 3i22 n VAL 25 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3i22 n VAL 25 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3i22 n VAL 25 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i22 s GLU 26 N 0.00 4.38 -0.38 7.34 2.12 -1.24 -4.20 118.70 126.72 3i22 s GLU 26 Ca 0.00 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.28 3i22 s GLU 26 Cb 0.00 -3.29 0.11 0.00 0.26 0.00 0.00 34.13 31.21 3i22 s GLU 26 CO 0.00 -0.33 0.13 0.08 -0.54 0.00 0.00 175.26 174.60 3i22 s VAL 27 N 0.99 1.81 0.16 3.70 1.01 -0.93 -0.98 120.40 126.17 3i22 s VAL 27 Ca 0.61 -2.29 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 3i22 s VAL 27 Cb -0.33 -2.32 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 3i22 s VAL 27 CO 0.30 -0.70 1.27 -0.54 0.00 0.00 0.00 175.10 175.44 3i22 s LYS 28 N 0.81 4.41 -0.01 2.72 3.01 -1.26 -3.91 119.74 125.52 3i22 s LYS 28 Ca 0.13 1.97 0.02 0.00 -1.01 0.00 0.00 55.97 57.07 3i22 s LYS 28 Cb -0.21 -3.24 -0.00 0.00 -1.01 0.00 0.00 37.83 33.37 3i22 s LYS 28 CO -0.10 -0.23 -0.07 0.14 0.51 0.00 0.00 175.35 175.59 3i22 s VAL 29 N 0.35 0.58 0.87 3.17 -7.23 -1.03 -4.11 120.40 112.99 3i22 s VAL 29 Ca 0.57 -0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 3i22 s VAL 29 Cb -0.34 -0.50 0.06 0.00 0.56 0.00 0.00 36.38 36.16 3i22 s VAL 29 CO 0.35 0.17 0.78 0.79 -0.31 0.00 0.00 175.10 176.88 3i22 n TRP 30 N 3.01 -0.18 0.00 2.82 8.01 -0.95 -1.58 117.44 128.57 3i22 n TRP 30 Ca -0.14 0.33 0.00 0.00 -1.31 0.00 0.00 57.50 56.38 3i22 n TRP 30 Cb 0.57 -1.93 0.00 0.00 -2.01 0.00 0.00 31.31 27.93 3i22 n TRP 30 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 3i22 n VAL 31 N -3.43 0.00 -2.74 -0.99 3.14 -0.22 -4.83 118.33 109.27 3i22 n VAL 31 Ca 0.10 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.23 3i22 n VAL 31 Cb 0.52 -0.04 0.02 0.00 -1.06 0.00 0.00 33.84 33.28 3i22 n VAL 31 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3i22 n VAL 32 N -0.44 -2.43 0.00 1.55 3.14 -1.26 -4.89 118.33 113.99 3i22 n VAL 32 Ca 0.00 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3i22 n VAL 32 Cb 0.03 -2.22 0.00 0.00 -1.06 0.00 0.00 33.84 30.59 3i22 n VAL 32 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3i22 n GLU 33 N -0.36 0.00 0.00 1.45 4.07 0.52 -4.82 120.64 121.49 3i22 n GLU 33 Ca -0.08 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 3i22 n GLU 33 Cb 0.45 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 3i22 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i22 n GLY 34 N -0.60 0.01 0.00 8.31 0.00 -1.26 -4.91 105.19 106.75 3i22 n GLY 34 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i22 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i22 n SER 35 N -0.83 0.29 -4.11 1.61 7.64 -1.26 -5.07 113.62 111.89 3i22 n SER 35 Ca 0.00 -0.02 -0.28 0.00 1.01 0.00 0.00 58.87 59.57 3i22 n SER 35 Cb 0.00 0.10 -0.17 0.00 -1.01 0.00 0.00 64.21 63.13 3i22 n SER 35 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3i22 s LYS 36 N -0.16 2.37 0.61 1.43 -2.85 -1.26 -5.14 119.74 114.74 3i22 s LYS 36 Ca 0.00 -0.64 -0.05 0.00 -1.00 0.00 0.00 55.97 54.28 3i22 s LYS 36 Cb 0.00 -1.87 0.02 0.00 -2.06 0.00 0.00 37.83 33.92 3i22 s LYS 36 CO 0.00 0.08 0.90 0.15 0.10 0.00 0.00 175.35 176.58 3i22 s LYS 37 N 0.57 2.71 0.00 1.78 1.02 -1.26 -0.36 119.74 124.20 3i22 s LYS 37 Ca -0.15 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3i22 s LYS 37 Cb -0.17 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3i22 s LYS 37 CO 0.05 -0.81 0.00 2.89 -0.92 0.00 0.00 175.35 176.56 3i22 n ARG 38 N -2.62 -2.24 -3.94 1.68 1.85 -1.26 -4.82 116.66 105.31 3i22 n ARG 38 Ca 0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.64 3i22 n ARG 38 Cb 0.58 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.96 3i22 n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i22 s LEU 39 N 0.00 4.34 0.00 2.89 1.02 -1.26 -1.05 118.68 124.62 3i22 s LEU 39 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.35 3i22 s LEU 39 Cb 0.00 -2.92 -0.01 0.00 0.02 0.00 0.00 46.19 43.29 3i22 s LEU 39 CO 0.00 0.06 -0.05 -1.58 0.02 0.00 0.00 176.35 174.80 3i22 s GLN 40 N -3.19 0.40 0.76 1.70 0.74 -0.61 -4.88 119.66 114.57 3i22 s GLN 40 Ca 0.35 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.41 3i22 s GLN 40 Cb -0.11 -0.36 0.05 0.00 1.10 0.00 0.00 33.01 33.68 3i22 s GLN 40 CO 0.28 0.10 1.08 0.00 -0.55 0.00 0.00 175.29 176.20 3i22 s ALA 41 N -0.25 2.39 -0.36 1.58 0.00 -1.26 -2.47 121.76 121.39 3i22 s ALA 41 Ca 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 3i22 s ALA 41 Cb -0.03 -3.16 0.20 0.00 0.00 0.00 0.00 23.12 20.13 3i22 s ALA 41 CO -0.00 -1.56 0.98 0.12 0.00 0.00 0.00 175.76 175.30 3i22 s PHE 42 N -3.07 -0.64 -0.70 0.00 2.19 -1.25 -4.92 117.98 109.58 3i22 s PHE 42 Ca 0.60 -0.04 -0.14 0.00 0.33 0.00 0.00 56.93 57.67 3i22 s PHE 42 Cb -0.15 0.12 0.18 0.00 -1.31 0.00 0.00 43.02 41.86 3i22 s PHE 42 CO 0.55 -0.46 0.64 -1.21 1.83 0.00 0.00 175.22 176.57 3i22 s GLU 43 N 1.50 3.30 0.00 10.12 2.02 -1.26 -2.19 118.70 132.19 3i22 s GLU 43 Ca 0.19 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 53.03 3i22 s GLU 43 Cb 0.05 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.94 3i22 s GLU 43 CO -0.12 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.28 3i22 n GLY 44 N 4.47 4.09 3.08 -1.39 0.00 -1.15 -4.81 105.19 109.49 3i22 n GLY 44 Ca 0.02 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 3i22 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 45 N 2.92 0.88 -0.58 1.61 1.01 0.20 -3.99 120.40 122.45 3i22 s VAL 45 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3i22 s VAL 45 Cb 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.63 3i22 s VAL 45 CO 0.00 0.07 1.21 -0.69 0.00 0.00 0.00 175.10 175.69 3i22 s VAL 46 N -0.60 3.99 -0.09 2.92 1.01 -1.20 -0.90 120.40 125.52 3i22 s VAL 46 Ca 0.01 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 3i22 s VAL 46 Cb -0.06 -4.70 -0.05 0.00 0.00 0.00 0.00 36.38 31.57 3i22 s VAL 46 CO 0.00 -1.32 -0.09 2.30 0.00 0.00 0.00 175.10 175.99 3i22 n ILE 47 N 6.69 0.51 -5.01 2.22 -5.35 -0.98 0.50 119.36 117.94 3i22 n ILE 47 Ca 0.09 -0.18 -0.32 0.00 -0.27 0.00 0.00 62.75 62.06 3i22 n ILE 47 Cb 0.49 -0.99 -0.15 0.00 -1.74 0.00 0.00 39.64 37.25 3i22 n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i22 s ALA 48 N -2.18 2.41 -0.09 -1.28 0.00 -1.25 -1.95 121.76 117.42 3i22 s ALA 48 Ca -0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 50.88 3i22 s ALA 48 Cb 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.16 3i22 s ALA 48 CO 0.20 0.33 -0.06 -1.50 0.00 0.00 0.00 175.76 174.73 3i22 s ILE 49 N 0.11 3.78 0.00 0.00 1.10 -1.26 0.48 121.20 125.41 3i22 s ILE 49 Ca -0.09 -0.44 0.00 0.00 -0.51 0.00 0.00 60.65 59.61 3i22 s ILE 49 Cb -0.15 -2.57 0.00 0.00 0.15 0.00 0.00 42.46 39.89 3i22 s ILE 49 CO 0.06 0.58 0.00 0.54 -2.11 0.00 0.00 174.94 174.01 3i22 n ARG 50 N 2.47 0.00 -2.06 3.50 1.74 -0.91 -4.80 116.66 116.61 3i22 n ARG 50 Ca -0.18 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.89 3i22 n ARG 50 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3i22 n ARG 50 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i22 n ASN 51 N 0.00 -2.01 -2.95 0.55 3.02 -1.26 -4.39 115.26 108.22 3i22 n ASN 51 Ca 0.00 -0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.37 3i22 n ASN 51 Cb 0.00 -0.72 -0.01 0.00 -0.61 0.00 0.00 39.78 38.45 3i22 n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i22 n ARG 52 N -1.15 1.16 0.00 3.52 5.12 -1.26 -4.86 116.66 119.18 3i22 n ARG 52 Ca -0.01 -3.39 0.00 0.00 -1.93 0.00 0.00 57.85 52.51 3i22 n ARG 52 Cb 0.51 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3i22 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i22 n GLY 53 N 0.11 3.83 0.18 -0.13 0.00 -1.26 1.00 105.19 108.93 3i22 n GLY 53 Ca 0.19 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.50 3i22 n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i22 h LEU 54 N 0.00 0.00 -1.17 0.99 5.85 -1.99 -3.03 115.31 115.96 3i22 h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i22 h LEU 54 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i22 h LEU 54 CO 0.00 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.51 3i22 n HIS 55 N -2.68 0.08 -1.34 1.25 -0.00 0.28 -4.50 115.22 108.31 3i22 n HIS 55 Ca 0.03 -0.04 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 3i22 n HIS 55 Cb 0.38 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.43 3i22 n HIS 55 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3i22 n SER 56 N 0.40 -0.98 -3.56 0.41 7.64 -0.95 -4.57 113.62 112.01 3i22 n SER 56 Ca 0.18 0.65 -0.01 0.00 1.01 0.00 0.00 58.87 60.69 3i22 n SER 56 Cb 0.39 -1.22 -0.06 0.00 -1.01 0.00 0.00 64.21 62.31 3i22 n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i22 s ALA 57 N -1.83 -2.38 0.37 -0.43 0.00 -1.26 -2.69 121.76 113.53 3i22 s ALA 57 Ca 0.67 2.18 0.02 0.00 0.00 0.00 0.00 51.96 54.84 3i22 s ALA 57 Cb -0.38 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 3i22 s ALA 57 CO 0.56 -0.59 0.55 -0.59 0.00 0.00 0.00 175.76 175.68 3i22 s PHE 58 N 1.84 3.30 -0.03 0.00 -0.12 -1.10 -2.13 117.98 119.74 3i22 s PHE 58 Ca -0.07 0.12 0.07 0.00 -0.05 0.00 0.00 56.93 57.00 3i22 s PHE 58 Cb -0.05 -2.02 -0.02 0.00 -0.63 0.00 0.00 43.02 40.30 3i22 s PHE 58 CO -0.16 -0.04 -0.23 0.99 -0.05 0.00 0.00 175.22 175.73 3i22 s THR 59 N -2.32 2.32 -0.33 -4.49 2.01 0.18 -0.75 115.64 112.26 3i22 s THR 59 Ca 0.43 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3i22 s THR 59 Cb -0.10 -1.84 0.11 0.00 0.01 0.00 0.00 72.50 70.68 3i22 s THR 59 CO 0.35 0.58 0.12 -0.69 -0.69 0.00 0.00 174.62 174.29 3i22 s VAL 60 N -0.56 0.83 -0.12 3.82 1.01 -1.02 -2.33 120.40 122.03 3i22 s VAL 60 Ca 0.08 -1.51 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 3i22 s VAL 60 Cb -0.11 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3i22 s VAL 60 CO 0.00 -0.72 0.51 -0.60 0.00 0.00 0.00 175.10 174.28 3i22 s ARG 61 N 1.47 4.33 -0.15 2.72 3.52 -0.08 -2.59 118.95 128.17 3i22 s ARG 61 Ca 0.11 0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 56.12 3i22 s ARG 61 Cb -0.18 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 3i22 s ARG 61 CO -0.22 0.10 -0.20 1.17 -0.81 0.00 0.00 175.30 175.35 3i22 n LYS 62 N 3.84 0.33 -1.93 5.12 4.81 -1.08 0.62 118.16 129.87 3i22 n LYS 62 Ca -0.06 0.14 -0.01 0.00 -0.87 0.00 0.00 58.31 57.52 3i22 n LYS 62 Cb 0.51 -1.05 -0.00 0.00 0.02 0.00 0.00 35.03 34.51 3i22 n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i22 n ILE 63 N -3.70 -5.91 -4.33 3.15 2.08 -1.26 -4.88 119.36 104.50 3i22 n ILE 63 Ca -0.30 0.76 -0.19 0.00 0.56 0.00 0.00 62.75 63.58 3i22 n ILE 63 Cb 0.71 -4.96 -0.13 0.00 -0.75 0.00 0.00 39.64 34.50 3i22 n ILE 63 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3i22 s SER 64 N -0.51 1.54 0.00 4.38 0.15 -1.08 -4.85 113.70 113.33 3i22 s SER 64 Ca -0.03 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.19 3i22 s SER 64 Cb 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 3i22 s SER 64 CO 0.29 0.02 0.00 0.59 1.20 0.00 0.00 173.24 175.34 3i22 n ASN 65 N 1.96 0.00 0.00 5.45 5.03 -1.26 -2.95 115.26 123.49 3i22 n ASN 65 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 3i22 n ASN 65 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 3i22 n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i22 n GLY 66 N 0.00 0.02 3.65 7.41 0.00 -1.26 -5.12 105.19 109.89 3i22 n GLY 66 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i22 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i22 s GLU 67 N -0.99 2.02 1.02 1.61 -6.30 -1.15 -5.10 118.70 109.80 3i22 s GLU 67 Ca 0.00 -2.11 -0.14 0.00 -2.50 0.00 0.00 54.97 50.22 3i22 s GLU 67 Cb 0.00 -1.68 0.20 0.00 0.00 0.00 0.00 34.13 32.65 3i22 s GLU 67 CO 0.00 -0.10 1.14 0.20 0.02 0.00 0.00 175.26 176.52 3i22 s GLY 68 N -3.76 1.59 -0.26 -1.50 0.00 -1.26 -2.65 107.32 99.48 3i22 s GLY 68 Ca 0.33 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.37 3i22 s GLY 68 CO 0.17 0.02 0.30 0.14 0.00 0.00 0.00 173.10 173.73 3i22 s VAL 69 N -3.19 -0.44 0.38 1.40 1.01 -1.26 -4.74 120.40 113.56 3i22 s VAL 69 Ca 0.67 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 3i22 s VAL 69 Cb -0.13 -0.88 -0.09 0.00 0.00 0.00 0.00 36.38 35.27 3i22 s VAL 69 CO 0.55 -0.33 1.06 -1.61 0.00 0.00 0.00 175.10 174.77 3i22 s GLU 70 N 2.40 4.23 -0.26 2.72 2.02 -1.26 -2.63 118.70 125.92 3i22 s GLU 70 Ca 0.09 1.55 -0.02 0.00 0.02 0.00 0.00 54.97 56.62 3i22 s GLU 70 Cb -0.14 -2.63 0.12 0.00 0.10 0.00 0.00 34.13 31.57 3i22 s GLU 70 CO -0.25 -0.10 0.27 0.50 0.02 0.00 0.00 175.26 175.70 3i22 s ARG 71 N -2.35 0.27 -0.39 1.61 3.52 -1.07 -4.96 118.95 115.59 3i22 s ARG 71 Ca 0.56 -0.01 -0.29 0.00 -0.13 0.00 0.00 55.73 55.86 3i22 s ARG 71 Cb -0.23 -0.85 0.02 0.00 -1.56 0.00 0.00 34.95 32.32 3i22 s ARG 71 CO 0.29 -0.88 1.13 0.14 -0.81 0.00 0.00 175.30 175.17 3i22 s VAL 72 N 2.35 4.33 0.08 7.11 -7.23 -1.26 -2.43 120.40 123.34 3i22 s VAL 72 Ca 0.09 1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 61.50 3i22 s VAL 72 Cb -0.15 -4.47 -0.07 0.00 0.56 0.00 0.00 36.38 32.25 3i22 s VAL 72 CO -0.25 -0.72 0.64 -0.36 -0.31 0.00 0.00 175.10 174.10 3i22 s PHE 73 N 4.12 3.81 -0.60 2.82 0.08 0.07 -4.97 117.98 123.30 3i22 s PHE 73 Ca 0.48 1.37 -0.28 0.00 0.12 0.00 0.00 56.93 58.62 3i22 s PHE 73 Cb -0.10 -2.61 0.02 0.00 -0.57 0.00 0.00 43.02 39.76 3i22 s PHE 73 CO 0.24 0.51 1.28 -0.65 -0.10 0.00 0.00 175.22 176.49 3i22 s GLN 74 N -0.88 3.38 0.58 0.44 -1.52 -1.26 -2.70 119.66 117.70 3i22 s GLN 74 Ca 0.32 0.22 0.28 0.00 -1.95 0.00 0.00 55.36 54.23 3i22 s GLN 74 Cb -0.20 -4.08 1.62 0.00 -0.22 0.00 0.00 33.01 30.12 3i22 s GLN 74 CO 0.21 -1.85 2.10 0.00 -0.25 0.00 0.00 175.29 175.50 3i22 h THR 75 N 6.21 0.53 -0.18 -0.19 1.03 -1.84 -0.56 112.91 117.91 3i22 h THR 75 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3i22 h THR 75 Cb 1.07 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 3i22 h THR 75 CO 1.20 0.00 0.00 1.41 -0.01 0.00 0.00 175.52 178.12 3i22 n HIS 76 N -3.91 0.22 -1.22 0.00 8.25 -1.26 -4.99 115.22 112.31 3i22 n HIS 76 Ca 0.02 -0.18 -0.34 0.00 -0.26 0.00 0.00 57.72 56.95 3i22 n HIS 76 Cb 0.32 -0.01 0.12 0.00 1.12 0.00 0.00 29.99 31.54 3i22 n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i22 n SER 77 N 0.83 1.25 0.09 0.41 2.88 -0.22 -4.86 113.62 114.00 3i22 n SER 77 Ca 0.11 0.63 -0.00 0.00 -1.33 0.00 0.00 58.87 58.28 3i22 n SER 77 Cb 0.41 -1.52 -0.03 0.00 -0.75 0.00 0.00 64.21 62.32 3i22 n SER 77 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i22 h PRO 78 N -0.65 0.00 0.00 -1.46 0.13 -1.94 -3.29 132.00 124.80 3i22 h PRO 78 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i22 h PRO 78 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3i22 h PRO 78 CO 0.47 0.51 0.00 1.33 -0.23 0.00 0.00 178.00 180.08 3i22 n VAL 79 N -3.14 0.08 0.03 1.56 0.24 -1.26 -2.45 118.33 113.39 3i22 n VAL 79 Ca -0.02 0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.27 3i22 n VAL 79 Cb 0.81 -0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 32.40 3i22 n VAL 79 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i22 h VAL 80 N 0.00 0.63 0.00 3.34 2.07 -1.81 -2.54 116.25 117.95 3i22 h VAL 80 Ca 0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 3i22 h VAL 80 Cb 0.04 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3i22 h VAL 80 CO 0.00 0.36 0.00 -0.67 0.02 0.00 0.00 177.57 177.28 3i22 n ASP 81 N -2.96 0.00 -4.42 0.57 2.03 -1.02 -4.45 116.55 106.30 3i22 n ASP 81 Ca -0.10 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.94 3i22 n ASP 81 Cb 0.89 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.43 3i22 n ASP 81 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3i22 s SER 82 N -4.00 3.75 -0.30 1.67 0.01 -1.26 -5.04 113.70 108.53 3i22 s SER 82 Ca 0.00 0.02 -0.17 0.00 1.31 0.00 0.00 55.95 57.11 3i22 s SER 82 Cb 0.00 -0.24 0.18 0.00 0.21 0.00 0.00 66.02 66.16 3i22 s SER 82 CO 0.00 -2.29 1.21 -0.51 0.41 0.00 0.00 173.24 172.06 3i22 s ILE 83 N -3.53 -0.03 0.00 1.44 -1.16 -1.26 -3.98 121.20 112.68 3i22 s ILE 83 Ca 0.70 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.84 3i22 s ILE 83 Cb -0.05 -0.36 0.00 0.00 0.61 0.00 0.00 42.46 42.66 3i22 s ILE 83 CO 0.49 0.00 0.00 -1.20 -2.81 0.00 0.00 174.94 171.42 3i22 n SER 84 N 5.18 0.00 -3.07 4.50 7.64 -0.15 -4.76 113.62 122.95 3i22 n SER 84 Ca 0.04 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.93 3i22 n SER 84 Cb 0.58 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.77 3i22 n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i22 s VAL 85 N 1.53 -0.78 0.07 0.44 0.11 -1.26 -3.72 120.40 116.79 3i22 s VAL 85 Ca 0.00 -0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.77 3i22 s VAL 85 Cb 0.00 0.00 -0.11 0.00 -1.53 0.00 0.00 36.38 34.74 3i22 s VAL 85 CO 0.00 0.00 1.40 0.11 -3.33 0.00 0.00 175.10 173.28 3i22 h LYS 86 N 6.50 -0.61 -5.28 1.54 6.56 -1.91 -3.46 116.57 119.93 3i22 h LYS 86 Ca 0.03 0.04 -0.60 0.00 -1.06 0.00 0.00 60.65 59.06 3i22 h LYS 86 Cb 1.19 0.14 -0.13 0.00 -0.57 0.00 0.00 32.23 32.86 3i22 h LYS 86 CO 0.05 -0.40 -0.55 0.50 -2.06 0.00 0.00 179.45 176.98 3i22 s ARG 87 N -5.01 1.97 -0.06 3.15 3.52 -1.26 -5.03 118.95 116.23 3i22 s ARG 87 Ca -0.12 -2.19 0.05 0.00 -0.13 0.00 0.00 55.73 53.34 3i22 s ARG 87 Cb 0.04 -1.22 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 3i22 s ARG 87 CO 0.43 -0.28 -0.22 1.03 -0.81 0.00 0.00 175.30 175.46 3i22 s ARG 88 N -3.80 2.59 0.10 5.12 0.52 -1.26 -4.01 118.95 118.19 3i22 s ARG 88 Ca 0.23 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.65 3i22 s ARG 88 Cb 0.05 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 3i22 s ARG 88 CO 0.12 0.43 -0.06 0.20 0.02 0.00 0.00 175.30 176.01 3i22 s GLY 89 N -0.27 1.85 -0.75 -3.53 0.00 -1.22 -1.97 107.32 101.43 3i22 s GLY 89 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.55 3i22 s GLY 89 CO 0.03 -1.16 0.57 0.00 0.00 0.00 0.00 173.10 172.53 3i22 s ALA 90 N -1.26 3.90 -0.19 3.20 0.00 -1.26 -4.49 121.76 121.68 3i22 s ALA 90 Ca 0.23 -3.71 -0.09 0.00 0.00 0.00 0.00 51.96 48.40 3i22 s ALA 90 Cb -0.11 -2.48 -0.21 0.00 0.00 0.00 0.00 23.12 20.31 3i22 s ALA 90 CO 0.16 -2.11 0.13 0.28 0.00 0.00 0.00 175.76 174.21 3i22 n VAL 91 N 2.43 1.64 -3.20 0.00 0.31 -1.26 -4.28 118.33 113.98 3i22 n VAL 91 Ca 0.17 -0.48 -0.10 0.00 -0.01 0.00 0.00 64.34 63.93 3i22 n VAL 91 Cb 0.36 -1.75 0.01 0.00 -0.91 0.00 0.00 33.84 31.54 3i22 n VAL 91 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i22 n ARG 92 N -3.72 -1.64 0.00 5.55 0.63 -1.26 -5.03 116.66 111.19 3i22 n ARG 92 Ca -0.37 1.48 0.00 0.00 -0.92 0.00 0.00 57.85 58.03 3i22 n ARG 92 Cb 0.94 -4.77 0.00 0.00 0.45 0.00 0.00 32.46 29.08 3i22 n ARG 92 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i22 n LYS 93 N -1.51 0.00 0.00 -0.14 3.00 -1.26 -5.11 118.16 113.14 3i22 n LYS 93 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 3i22 n LYS 93 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 3i22 n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i22 n ALA 94 N -0.02 -0.01 -2.89 3.14 0.00 -1.26 -4.71 120.51 114.76 3i22 n ALA 94 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 3i22 n ALA 94 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 3i22 n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i22 s LYS 95 N -1.07 3.44 -0.86 0.00 -0.14 -1.26 -4.89 119.74 114.96 3i22 s LYS 95 Ca 0.00 -0.20 -0.01 0.00 -1.36 0.00 0.00 55.97 54.40 3i22 s LYS 95 Cb 0.00 -3.15 0.34 0.00 -1.68 0.00 0.00 37.83 33.34 3i22 s LYS 95 CO 0.00 0.74 1.80 1.28 -0.76 0.00 0.00 175.35 178.40 3i22 n LEU 96 N 1.56 7.01 0.11 3.17 4.32 -0.82 -4.69 117.00 127.66 3i22 n LEU 96 Ca -0.16 -5.14 0.13 0.00 -0.02 0.00 0.00 56.01 50.81 3i22 n LEU 96 Cb 0.54 -1.02 0.40 0.00 -1.62 0.00 0.00 43.42 41.72 3i22 n LEU 96 CO 0.36 1.96 0.88 1.88 -1.22 0.00 0.00 177.39 181.25 3i22 h TYR 97 N 3.42 0.00 0.00 -1.77 -1.99 -1.96 -3.23 116.97 111.44 3i22 h TYR 97 Ca 0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.23 3i22 h TYR 97 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 3i22 h TYR 97 CO 1.19 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 181.83 3i22 n TYR 98 N -2.31 0.00 0.86 4.88 4.11 -1.26 -2.99 117.16 120.44 3i22 n TYR 98 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 57.90 58.07 3i22 n TYR 98 Cb 0.42 -0.40 0.27 0.00 -0.00 0.00 0.00 39.34 39.63 3i22 n TYR 98 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3i22 n LEU 99 N -1.40 0.51 0.00 -3.48 4.77 -1.22 -4.08 117.00 112.10 3i22 n LEU 99 Ca 0.07 0.14 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3i22 n LEU 99 Cb 0.21 -0.26 0.14 0.00 -2.33 0.00 0.00 43.42 41.18 3i22 n LEU 99 CO 0.18 0.05 0.40 0.54 -1.33 0.00 0.00 177.39 177.22 3i22 n ARG 100 N -1.71 0.55 -3.25 3.23 1.74 -1.16 -3.62 116.66 112.44 3i22 n ARG 100 Ca 0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.97 3i22 n ARG 100 Cb 0.37 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 3i22 n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i22 s GLU 101 N -2.00 0.79 0.00 5.56 8.01 -1.26 -5.06 118.70 124.74 3i22 s GLU 101 Ca 0.07 -1.12 0.00 0.00 0.01 0.00 0.00 54.97 53.93 3i22 s GLU 101 Cb 0.03 -0.69 0.00 0.00 -4.31 0.00 0.00 34.13 29.16 3i22 s GLU 101 CO 0.06 -1.26 0.00 0.54 0.01 0.00 0.00 175.26 174.61 3i22 n ARG 102 N 3.73 0.00 0.00 1.61 5.12 -1.24 -4.96 116.66 120.92 3i22 n ARG 102 Ca 0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 3i22 n ARG 102 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 3i22 n ARG 102 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i22 n THR 103 N -0.77 0.00 -1.33 0.55 -1.04 -1.26 -4.63 114.28 105.80 3i22 n THR 103 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3i22 n THR 103 Cb 0.00 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i22 n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i22 n GLY 104 N -0.79 -2.48 3.74 3.41 0.00 -1.26 -0.80 105.19 107.02 3i22 n GLY 104 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i22 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 105 N 1.17 0.00 0.00 1.61 4.76 -1.26 -4.59 118.16 119.84 3i22 n LYS 105 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3i22 n LYS 105 Cb 0.40 -3.42 0.00 0.00 -1.84 0.00 0.00 35.03 30.16 3i22 n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i22 n ALA 106 N 0.87 1.95 -0.08 7.82 0.00 0.02 -4.86 120.51 126.22 3i22 n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 106 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3i22 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 107 N -2.13 -0.13 -0.13 0.00 0.00 -0.43 -4.88 120.51 112.81 3i22 n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i22 n ALA 107 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3i22 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 n ARG 108 N -1.87 0.00 0.00 0.00 1.74 -1.26 -4.90 116.66 110.37 3i22 n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i22 n ARG 108 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i22 n ARG 108 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i22 n ILE 109 N 0.21 0.00 -3.57 0.55 5.41 -1.26 -5.04 119.36 115.66 3i22 n ILE 109 Ca 0.00 0.27 -0.03 0.00 1.00 0.00 0.00 62.75 63.99 3i22 n ILE 109 Cb 0.00 -0.98 0.01 0.00 -0.71 0.00 0.00 39.64 37.96 3i22 n ILE 109 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i22 n LYS 110 N 0.00 0.41 -3.83 0.38 5.02 -1.26 -4.91 118.16 113.97 3i22 n LYS 110 Ca 0.00 -0.88 -0.30 0.00 -2.02 0.00 0.00 58.31 55.12 3i22 n LYS 110 Cb 0.00 1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 36.02 3i22 n LYS 110 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3i22 s GLU 111 N -2.03 1.55 0.00 1.97 8.01 -1.26 -4.11 118.70 122.83 3i22 s GLU 111 Ca 0.10 -2.20 0.00 0.00 0.01 0.00 0.00 54.97 52.88 3i22 s GLU 111 Cb -0.02 -2.77 0.00 0.00 -4.31 0.00 0.00 34.13 27.03 3i22 s GLU 111 CO 0.04 -1.12 0.00 -2.13 0.01 0.00 0.00 175.26 172.06 3i22 n ARG 112 N 3.48 0.00 -1.49 1.61 0.63 -0.83 -4.86 116.66 115.20 3i22 n ARG 112 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3i22 n ARG 112 Cb 0.34 -0.09 0.00 0.00 0.45 0.00 0.00 32.46 33.17 3i22 n ARG 112 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3i22 n LEU 113 N 0.00 -5.26 0.00 6.15 0.00 -1.26 -4.98 117.00 111.65 3i22 n LEU 113 Ca 0.00 2.46 0.00 0.00 0.00 0.00 0.00 56.01 58.47 3i22 n LEU 113 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 43.42 41.14 3i22 n LEU 113 CO 0.00 -0.76 0.20 0.59 0.00 0.00 0.00 177.39 177.43