#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n ASN 2 N 0.00 0.59 -0.00 -3.46 4.13 -1.26 -1.45 115.26 113.81 2i2t n ASN 2 Ca 0.00 -1.21 -0.15 0.00 1.68 0.00 0.00 54.58 54.90 2i2t n ASN 2 Cb 0.00 -0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.10 2i2t n ASN 2 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2i2t h ILE 3 N 0.92 0.76 -3.29 2.41 -0.00 -2.05 -3.38 117.51 112.88 2i2t h ILE 3 Ca 0.00 -2.54 -0.19 0.00 -0.00 0.00 0.00 64.86 62.12 2i2t h ILE 3 Cb 0.20 2.48 0.06 0.00 -0.00 0.00 0.00 36.82 39.56 2i2t h ILE 3 CO 0.00 0.70 0.14 -0.38 -0.00 0.00 0.00 178.15 178.60 2i2t n ILE 4 N -3.27 0.00 0.00 2.19 5.41 -0.53 -3.26 119.36 119.90 2i2t n ILE 4 Ca -0.24 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.00 2i2t n ILE 4 Cb 1.05 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 2i2t n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2i2t n LYS 5 N -2.09 0.00 0.30 0.38 0.00 -1.21 -3.64 118.16 111.90 2i2t n LYS 5 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 58.31 58.58 2i2t n LYS 5 Cb 0.25 0.00 0.91 0.00 0.00 0.00 0.00 35.03 36.20 2i2t n LYS 5 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2i2t h GLN 6 N 0.00 0.00 0.12 1.64 -0.00 -1.75 1.11 115.11 116.23 2i2t h GLN 6 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.33 2i2t h GLN 6 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 2i2t h GLN 6 CO 0.00 0.01 -1.65 1.25 0.00 0.00 0.00 178.83 178.45 2i2t h LEU 7 N 0.00 0.39 0.00 -2.39 5.85 -1.61 -3.07 115.31 114.48 2i2t h LEU 7 Ca -0.00 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2i2t h LEU 7 Cb 0.29 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2i2t h LEU 7 CO 0.00 1.51 0.00 -0.62 -0.34 0.00 0.00 178.44 179.00 2i2t n GLU 8 N -3.44 0.00 -0.46 1.25 4.71 0.11 -3.14 120.64 119.68 2i2t n GLU 8 Ca -0.20 0.36 0.41 0.00 -0.01 0.00 0.00 57.16 57.72 2i2t n GLU 8 Cb 1.05 -1.21 0.77 0.00 -1.01 0.00 0.00 31.44 31.04 2i2t n GLU 8 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 2i2t h GLN 9 N 0.00 0.01 0.00 3.49 3.07 0.84 0.92 115.11 123.44 2i2t h GLN 9 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2i2t h GLN 9 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2i2t h GLN 9 CO 0.00 0.01 0.14 1.49 0.09 0.00 0.00 178.83 180.56 2i2t h GLU 10 N 0.01 0.00 0.00 0.06 4.81 -1.48 -1.44 114.58 116.55 2i2t h GLU 10 Ca 0.70 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 2i2t h GLU 10 Cb 2.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.14 2i2t h GLU 10 CO -0.03 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.29 2i2t n GLN 11 N -2.28 3.10 -2.24 1.92 6.02 0.31 -5.05 117.38 119.16 2i2t n GLN 11 Ca -0.01 -0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.46 2i2t n GLN 11 Cb 0.18 -0.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.92 2i2t n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2i2t s MET 12 N -0.47 4.39 0.24 -1.09 -1.94 -0.54 -5.01 119.30 114.88 2i2t s MET 12 Ca 0.00 2.02 -0.05 0.00 -1.71 0.00 0.00 55.69 55.96 2i2t s MET 12 Cb 0.00 -3.21 -0.05 0.00 2.01 0.00 0.00 34.83 33.57 2i2t s MET 12 CO 0.00 -0.26 0.49 -1.59 -0.01 0.00 0.00 175.02 173.65 2i2t s LYS 13 N 0.06 3.64 0.00 2.03 -2.85 -1.26 -4.97 119.74 116.38 2i2t s LYS 13 Ca 0.57 -0.03 0.13 0.00 -1.00 0.00 0.00 55.97 55.64 2i2t s LYS 13 Cb -0.36 -2.72 0.38 0.00 -2.06 0.00 0.00 37.83 33.08 2i2t s LYS 13 CO 0.37 0.31 1.32 1.04 0.10 0.00 0.00 175.35 178.49 2i2t n GLN 14 N -0.57 2.84 0.08 1.78 1.13 -1.26 -4.52 117.38 116.86 2i2t n GLN 14 Ca -0.02 -2.19 -0.22 0.00 -1.94 0.00 0.00 57.00 52.63 2i2t n GLN 14 Cb 0.53 -1.34 -0.13 0.00 0.11 0.00 0.00 30.24 29.42 2i2t n GLN 14 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 2i2t h ASP 15 N 2.54 0.87 -1.79 1.08 3.58 -1.99 -3.45 116.42 117.27 2i2t h ASP 15 Ca 0.00 -0.81 -0.68 0.00 0.42 0.00 0.00 57.03 55.96 2i2t h ASP 15 Cb 0.79 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 41.58 2i2t h ASP 15 CO 0.00 1.60 1.00 1.33 -2.88 0.00 0.00 179.24 180.28 2i2t n VAL 16 N -3.82 0.44 -0.88 2.25 0.24 -1.26 -4.96 118.33 110.33 2i2t n VAL 16 Ca -0.13 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2i2t n VAL 16 Cb 0.96 -1.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 2i2t n VAL 16 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2i2t n PRO 17 N 5.98 2.22 -1.65 7.34 -0.04 -1.26 -5.03 135.00 142.55 2i2t n PRO 17 Ca 0.24 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.30 2i2t n PRO 17 Cb 0.21 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.69 2i2t n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2i2t n SER 18 N 0.00 1.66 -3.73 3.54 2.88 -1.26 -5.01 113.62 111.70 2i2t n SER 18 Ca 0.00 1.02 -0.14 0.00 -1.33 0.00 0.00 58.87 58.42 2i2t n SER 18 Cb 0.00 -1.42 -0.14 0.00 -0.75 0.00 0.00 64.21 61.90 2i2t n SER 18 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2i2t s PHE 19 N -1.29 -0.22 0.03 0.66 5.99 -1.26 -5.00 117.98 116.88 2i2t s PHE 19 Ca 0.65 0.61 0.04 0.00 0.00 0.00 0.00 56.93 58.22 2i2t s PHE 19 Cb -0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 43.02 42.42 2i2t s PHE 19 CO 0.55 -0.21 -0.11 0.50 -0.00 0.00 0.00 175.22 175.95 2i2t s ARG 20 N 1.44 0.78 -1.23 10.12 6.06 -1.26 -5.07 118.95 129.79 2i2t s ARG 20 Ca -0.07 -0.63 -0.20 0.00 -2.50 0.00 0.00 55.73 52.33 2i2t s ARG 20 Cb -0.11 -0.73 -0.02 0.00 0.06 0.00 0.00 34.95 34.14 2i2t s ARG 20 CO -0.07 0.18 1.86 -0.35 -2.50 0.00 0.00 175.30 174.43 2i2t n PRO 21 N 2.08 2.30 0.00 5.12 -0.04 -1.26 -2.85 135.00 140.35 2i2t n PRO 21 Ca -0.18 -2.78 0.00 0.00 -0.04 0.00 0.00 63.50 60.50 2i2t n PRO 21 Cb 0.55 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 2i2t n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2i2t n GLY 22 N 5.51 0.00 3.43 0.55 0.00 -1.25 -4.73 105.19 108.70 2i2t n GLY 22 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 2i2t n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2i2t s ASP 23 N 0.00 0.06 -0.22 1.61 -0.00 -1.13 -4.31 116.67 112.67 2i2t s ASP 23 Ca 0.00 1.00 -0.19 0.00 -0.00 0.00 0.00 52.55 53.36 2i2t s ASP 23 Cb 0.00 -1.47 -0.18 0.00 -0.00 0.00 0.00 42.92 41.27 2i2t s ASP 23 CO 0.00 -4.69 0.06 0.41 -0.00 0.00 0.00 175.17 170.95 2i2t n THR 24 N -5.19 1.54 -1.25 -1.27 -1.04 0.35 -0.91 114.28 106.51 2i2t n THR 24 Ca 0.09 -0.16 0.08 0.00 -2.04 0.00 0.00 64.05 62.02 2i2t n THR 24 Cb 0.58 -1.98 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 2i2t n THR 24 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2i2t n VAL 25 N -4.32 -1.13 -3.45 12.58 0.24 -1.13 -1.56 118.33 119.56 2i2t n VAL 25 Ca -0.38 0.78 -0.22 0.00 -2.04 0.00 0.00 64.34 62.48 2i2t n VAL 25 Cb 0.76 -1.23 -0.11 0.00 -1.47 0.00 0.00 33.84 31.78 2i2t n VAL 25 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2i2t s GLU 26 N -4.72 0.33 0.17 7.34 2.12 -1.26 -1.70 118.70 120.97 2i2t s GLU 26 Ca 0.00 -0.43 -0.26 0.00 0.36 0.00 0.00 54.97 54.63 2i2t s GLU 26 Cb 0.00 -0.88 -0.08 0.00 0.26 0.00 0.00 34.13 33.43 2i2t s GLU 26 CO 0.00 -1.06 0.81 0.08 -0.54 0.00 0.00 175.26 174.55 2i2t s VAL 27 N 2.08 4.35 -0.23 3.70 1.01 -1.23 -0.42 120.40 129.65 2i2t s VAL 27 Ca 0.11 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.87 2i2t s VAL 27 Cb -0.15 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.08 2i2t s VAL 27 CO -0.29 0.50 -0.11 -0.54 0.00 0.00 0.00 175.10 174.66 2i2t s LYS 28 N -1.02 2.71 0.02 2.72 1.02 0.14 -1.70 119.74 123.63 2i2t s LYS 28 Ca 0.37 -1.04 0.08 0.00 0.02 0.00 0.00 55.97 55.40 2i2t s LYS 28 Cb -0.23 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.20 2i2t s LYS 28 CO 0.27 -0.40 -0.25 0.14 -0.92 0.00 0.00 175.35 174.19 2i2t s VAL 29 N 1.26 2.00 -0.14 3.17 -7.23 -0.19 -3.23 120.40 116.03 2i2t s VAL 29 Ca -0.01 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.63 2i2t s VAL 29 Cb -0.17 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 2i2t s VAL 29 CO -0.07 0.42 1.91 0.26 -0.31 0.00 0.00 175.10 177.31 2i2t s TRP 30 N -0.72 1.56 0.26 2.82 0.52 -1.14 0.10 118.94 122.35 2i2t s TRP 30 Ca 0.10 0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.50 2i2t s TRP 30 Cb -0.10 -4.05 0.33 0.00 -1.15 0.00 0.00 33.47 28.51 2i2t s TRP 30 CO 0.01 -4.09 1.64 -0.24 0.02 0.00 0.00 176.95 174.28 2i2t h VAL 31 N 6.30 1.32 0.00 4.03 3.04 -1.83 -3.47 116.25 125.65 2i2t h VAL 31 Ca -0.41 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 2i2t h VAL 31 Cb 1.21 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2i2t h VAL 31 CO 0.97 0.49 0.00 0.55 -1.01 0.00 0.00 177.57 178.57 2i2t n VAL 32 N -4.00 0.00 0.00 1.51 3.14 -1.26 -4.92 118.33 112.80 2i2t n VAL 32 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2i2t n VAL 32 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.30 2i2t n VAL 32 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2i2t n GLU 33 N -0.00 0.00 0.00 1.45 4.07 -1.26 -4.14 120.64 120.76 2i2t n GLU 33 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2i2t n GLU 33 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2i2t n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2i2t n GLY 34 N 0.00 0.05 0.24 8.31 0.00 -1.26 -4.84 105.19 107.69 2i2t n GLY 34 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2i2t n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2i2t h SER 35 N 0.00 0.77 -2.11 1.61 0.02 -2.04 -3.45 113.55 108.35 2i2t h SER 35 Ca 0.00 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.55 2i2t h SER 35 Cb 0.00 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.34 2i2t h SER 35 CO 0.00 1.10 0.04 0.29 -1.14 0.00 0.00 176.83 177.11 2i2t n LYS 36 N -4.02 -0.25 0.00 3.45 4.76 -1.26 -5.11 118.16 115.72 2i2t n LYS 36 Ca -0.02 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2i2t n LYS 36 Cb 0.55 -0.13 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 2i2t n LYS 36 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2i2t n LYS 37 N -1.33 0.00 0.00 1.97 0.00 -1.26 -4.08 118.16 113.46 2i2t n LYS 37 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2i2t n LYS 37 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.08 2i2t n LYS 37 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2i2t n ARG 38 N 0.00 3.71 -3.86 -1.58 1.85 -1.26 -4.84 116.66 110.68 2i2t n ARG 38 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 2i2t n ARG 38 Cb 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.24 2i2t n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2i2t s LEU 39 N 0.00 0.93 -0.20 2.89 1.02 -1.26 -2.44 118.68 119.63 2i2t s LEU 39 Ca 0.00 -0.21 -0.10 0.00 0.02 0.00 0.00 54.13 53.85 2i2t s LEU 39 Cb 0.00 -0.66 -0.05 0.00 0.02 0.00 0.00 46.19 45.50 2i2t s LEU 39 CO 0.00 -0.15 0.12 -1.58 0.02 0.00 0.00 176.35 174.76 2i2t s GLN 40 N 1.80 4.14 1.05 1.70 0.74 0.29 -4.80 119.66 124.58 2i2t s GLN 40 Ca 0.05 -0.24 -0.16 0.00 0.05 0.00 0.00 55.36 55.06 2i2t s GLN 40 Cb -0.12 -3.38 0.22 0.00 1.10 0.00 0.00 33.01 30.82 2i2t s GLN 40 CO -0.07 0.31 1.19 0.00 -0.55 0.00 0.00 175.29 176.17 2i2t s ALA 41 N 0.33 1.46 -0.35 1.58 0.00 -1.26 -1.03 121.76 122.49 2i2t s ALA 41 Ca 0.07 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.12 2i2t s ALA 41 Cb -0.11 -2.88 0.31 0.00 0.00 0.00 0.00 23.12 20.43 2i2t s ALA 41 CO -0.02 -2.87 1.29 0.34 0.00 0.00 0.00 175.76 174.50 2i2t n PHE 42 N -4.17 -0.97 -1.75 0.00 -0.00 -0.69 -4.87 117.46 105.01 2i2t n PHE 42 Ca 0.12 -0.98 -0.42 0.00 -0.00 0.00 0.00 57.45 56.18 2i2t n PHE 42 Cb 0.59 1.24 -0.03 0.00 -0.00 0.00 0.00 39.48 41.28 2i2t n PHE 42 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2i2t s GLU 43 N 0.13 4.15 0.00 -4.13 2.02 -1.26 -3.56 118.70 116.05 2i2t s GLU 43 Ca 0.23 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.76 2i2t s GLU 43 Cb 0.27 -3.74 0.00 0.00 0.10 0.00 0.00 34.13 30.76 2i2t s GLU 43 CO -0.15 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 174.69 2i2t n GLY 44 N 4.26 3.67 0.00 -1.39 0.00 -0.69 -4.80 105.19 106.24 2i2t n GLY 44 Ca 0.18 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2i2t n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2t n VAL 45 N 0.00 0.00 -1.80 1.61 0.31 -0.60 -4.56 118.33 113.29 2i2t n VAL 45 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2i2t n VAL 45 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 2i2t n VAL 45 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2i2t s VAL 46 N 0.00 2.12 0.00 2.52 1.01 -0.09 -1.77 120.40 124.19 2i2t s VAL 46 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2i2t s VAL 46 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2i2t s VAL 46 CO 0.00 -0.00 0.00 2.30 0.00 0.00 0.00 175.10 177.40 2i2t n ILE 47 N -1.19 0.00 -3.64 2.22 -5.35 -1.03 -3.84 119.36 106.53 2i2t n ILE 47 Ca 0.11 -0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.48 2i2t n ILE 47 Cb 0.46 0.02 -0.05 0.00 -1.74 0.00 0.00 39.64 38.33 2i2t n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2i2t s ALA 48 N -0.05 -0.94 -0.12 -1.28 0.00 -1.24 0.21 121.76 118.34 2i2t s ALA 48 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 2i2t s ALA 48 Cb 0.00 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.76 2i2t s ALA 48 CO 0.00 -0.59 0.31 0.42 0.00 0.00 0.00 175.76 175.89 2i2t s ILE 49 N -3.46 -0.01 0.00 0.00 1.01 -1.26 -4.37 121.20 113.10 2i2t s ILE 49 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2i2t s ILE 49 Cb 0.01 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2i2t s ILE 49 CO -0.10 0.02 0.00 -2.11 0.00 0.00 0.00 174.94 172.75 2i2t n ARG 50 N 3.39 0.00 -1.88 2.79 1.85 -1.02 -4.95 116.66 116.84 2i2t n ARG 50 Ca -0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.68 2i2t n ARG 50 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 2i2t n ARG 50 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2i2t n ASN 51 N 0.00 -3.42 -1.39 2.89 3.02 -1.26 -4.88 115.26 110.21 2i2t n ASN 51 Ca 0.00 -0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.51 2i2t n ASN 51 Cb 0.00 -2.06 -0.02 0.00 -0.61 0.00 0.00 39.78 37.09 2i2t n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2i2t n ARG 52 N -1.17 0.22 0.00 3.52 5.12 -1.03 -5.05 116.66 118.28 2i2t n ARG 52 Ca 0.00 -1.42 0.00 0.00 -1.93 0.00 0.00 57.85 54.50 2i2t n ARG 52 Cb 0.49 0.25 0.00 0.00 -1.16 0.00 0.00 32.46 32.04 2i2t n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i2t n GLY 53 N -0.04 1.71 0.42 -0.13 0.00 -1.26 -2.60 105.19 103.29 2i2t n GLY 53 Ca -0.16 -0.58 0.24 0.00 0.00 0.00 0.00 46.02 45.52 2i2t n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2i2t h LEU 54 N 0.00 0.00 -8.86 0.99 5.85 -1.98 -3.34 115.31 107.97 2i2t h LEU 54 Ca 0.00 0.00 -0.64 0.00 0.84 0.00 0.00 57.88 58.08 2i2t h LEU 54 Cb 0.00 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.88 2i2t h LEU 54 CO 0.00 0.00 -0.22 -1.00 -0.34 0.00 0.00 178.44 176.88 2i2t s HIS 55 N -4.71 3.23 -0.14 1.25 0.09 -1.07 -4.59 115.29 109.35 2i2t s HIS 55 Ca -0.04 0.26 -0.30 0.00 -0.00 0.00 0.00 55.06 54.98 2i2t s HIS 55 Cb 0.17 -2.65 0.11 0.00 -0.00 0.00 0.00 32.58 30.21 2i2t s HIS 55 CO 0.61 -0.33 0.89 -1.12 -0.00 0.00 0.00 174.74 174.79 2i2t s SER 56 N 1.68 -0.48 0.33 1.40 0.01 -1.26 -2.45 113.70 112.94 2i2t s SER 56 Ca 0.15 0.57 0.03 0.00 1.31 0.00 0.00 55.95 58.01 2i2t s SER 56 Cb -0.16 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2i2t s SER 56 CO 0.11 -0.41 0.08 0.00 0.41 0.00 0.00 173.24 173.43 2i2t s ALA 57 N -0.99 2.41 -0.12 1.44 0.00 -1.22 -2.73 121.76 120.56 2i2t s ALA 57 Ca -0.04 -1.86 -0.09 0.00 0.00 0.00 0.00 51.96 49.97 2i2t s ALA 57 Cb -0.01 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 2i2t s ALA 57 CO 0.04 -0.33 -0.20 1.19 0.00 0.00 0.00 175.76 176.46 2i2t n PHE 58 N -0.71 0.00 -2.61 0.00 0.99 -0.56 -2.44 117.46 112.13 2i2t n PHE 58 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.39 2i2t n PHE 58 Cb 0.66 -0.45 0.00 0.00 -1.00 0.00 0.00 39.48 38.70 2i2t n PHE 58 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2i2t n THR 59 N -3.82-10.31 -4.49 4.37 -1.04 -0.76 -4.18 114.28 94.05 2i2t n THR 59 Ca -0.22 1.17 -0.30 0.00 -2.04 0.00 0.00 64.05 62.66 2i2t n THR 59 Cb 0.56 -6.72 -0.12 0.00 -1.82 0.00 0.00 70.33 62.22 2i2t n THR 59 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2i2t s VAL 60 N -1.93 2.95 -0.15 12.58 1.01 0.34 -2.46 120.40 132.74 2i2t s VAL 60 Ca 0.11 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 2i2t s VAL 60 Cb -0.03 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2i2t s VAL 60 CO 0.67 0.25 0.02 -0.13 0.00 0.00 0.00 175.10 175.91 2i2t s ARG 61 N -1.73 3.65 0.02 2.72 1.81 -0.73 -1.08 118.95 123.62 2i2t s ARG 61 Ca 0.17 -0.41 -0.05 0.00 -1.72 0.00 0.00 55.73 53.72 2i2t s ARG 61 Cb -0.11 -3.02 -0.02 0.00 -0.45 0.00 0.00 34.95 31.35 2i2t s ARG 61 CO 0.08 0.37 -0.10 1.17 -0.68 0.00 0.00 175.30 176.14 2i2t n LYS 62 N 3.19 0.15 -2.39 3.54 4.81 -0.70 -2.81 118.16 123.95 2i2t n LYS 62 Ca -0.17 0.06 -0.06 0.00 -0.87 0.00 0.00 58.31 57.26 2i2t n LYS 62 Cb 0.53 -0.76 0.03 0.00 0.02 0.00 0.00 35.03 34.85 2i2t n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2i2t n ILE 63 N -3.76 -3.37 0.00 3.15 5.41 -1.26 -4.87 119.36 114.66 2i2t n ILE 63 Ca -0.04 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2i2t n ILE 63 Cb 0.16 -3.97 0.00 0.00 -0.71 0.00 0.00 39.64 35.12 2i2t n ILE 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2i2t n SER 64 N -2.03 0.00 -4.51 4.38 2.88 -0.78 -4.73 113.62 108.84 2i2t n SER 64 Ca -0.07 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.13 2i2t n SER 64 Cb 0.56 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.85 2i2t n SER 64 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2i2t n ASN 65 N 0.00 -0.09 0.00 -3.46 5.15 -1.26 -3.47 115.26 112.13 2i2t n ASN 65 Ca 0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2i2t n ASN 65 Cb 0.00 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 2i2t n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2i2t n GLY 66 N 6.16 1.08 3.90 8.20 0.00 -1.26 -4.96 105.19 118.32 2i2t n GLY 66 Ca 0.64 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2i2t n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i2t s GLU 67 N 0.00 2.27 0.54 1.61 0.41 -1.23 -5.05 118.70 117.26 2i2t s GLU 67 Ca 0.00 -1.98 -0.11 0.00 -0.41 0.00 0.00 54.97 52.47 2i2t s GLU 67 Cb 0.00 -2.13 -0.05 0.00 -1.78 0.00 0.00 34.13 30.17 2i2t s GLU 67 CO 0.00 -0.60 0.94 0.20 -0.49 0.00 0.00 175.26 175.31 2i2t s GLY 68 N -4.28 1.75 0.03 -1.39 0.00 -1.26 -1.86 107.32 100.30 2i2t s GLY 68 Ca 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 2i2t s GLY 68 CO 0.22 0.11 0.06 -1.34 0.00 0.00 0.00 173.10 172.15 2i2t s VAL 69 N -2.88 0.12 0.03 1.40 -7.23 -1.26 -4.75 120.40 105.83 2i2t s VAL 69 Ca 0.54 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2i2t s VAL 69 Cb -0.11 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.14 2i2t s VAL 69 CO 0.45 -0.56 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.88 2i2t s GLU 70 N -2.14 1.31 -0.16 4.82 2.02 -1.26 -1.72 118.70 121.58 2i2t s GLU 70 Ca -0.09 -0.82 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 2i2t s GLU 70 Cb -0.04 -1.36 0.07 0.00 0.10 0.00 0.00 34.13 32.90 2i2t s GLU 70 CO -0.03 0.35 0.17 0.50 0.02 0.00 0.00 175.26 176.28 2i2t s ARG 71 N -0.96 0.11 -0.60 1.61 3.52 -0.24 -4.90 118.95 117.49 2i2t s ARG 71 Ca 0.06 0.24 -0.21 0.00 -0.13 0.00 0.00 55.73 55.69 2i2t s ARG 71 Cb -0.08 -1.08 0.07 0.00 -1.56 0.00 0.00 34.95 32.30 2i2t s ARG 71 CO 0.01 -0.56 0.83 0.14 -0.81 0.00 0.00 175.30 174.92 2i2t s VAL 72 N 2.27 4.56 -0.21 7.11 -7.23 -1.26 -0.50 120.40 125.13 2i2t s VAL 72 Ca 0.05 -0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 59.51 2i2t s VAL 72 Cb -0.15 -4.54 0.00 0.00 0.56 0.00 0.00 36.38 32.26 2i2t s VAL 72 CO -0.09 -1.20 0.98 -0.36 -0.31 0.00 0.00 175.10 174.12 2i2t s PHE 73 N 3.45 3.37 -0.28 2.82 0.08 -1.26 -4.63 117.98 121.52 2i2t s PHE 73 Ca 0.20 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2i2t s PHE 73 Cb -0.18 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 2i2t s PHE 73 CO 0.11 -0.41 0.41 1.04 -0.10 0.00 0.00 175.22 176.27 2i2t n GLN 74 N 5.99 0.48 0.00 0.44 1.13 -1.25 -1.50 117.38 122.67 2i2t n GLN 74 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2i2t n GLN 74 Cb 0.47 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.56 2i2t n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2i2t n THR 75 N 0.62 0.00 0.00 5.09 5.66 -1.10 -2.63 114.28 121.92 2i2t n THR 75 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2i2t n THR 75 Cb 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2i2t n THR 75 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2i2t n HIS 76 N 0.00 0.00 -3.60 1.09 8.25 -1.26 -4.47 115.22 115.22 2i2t n HIS 76 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2i2t n HIS 76 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2i2t n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2i2t s SER 77 N -1.57 6.61 0.41 0.41 0.15 -1.08 -4.90 113.70 113.72 2i2t s SER 77 Ca 0.00 0.72 0.24 0.00 0.70 0.00 0.00 55.95 57.61 2i2t s SER 77 Cb 0.00 -2.19 1.30 0.00 -1.71 0.00 0.00 66.02 63.42 2i2t s SER 77 CO 0.00 0.28 1.66 -0.65 1.20 0.00 0.00 173.24 175.73 2i2t h PRO 78 N 5.32 0.18 -0.73 5.44 0.11 -1.95 0.61 132.00 140.97 2i2t h PRO 78 Ca -0.50 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.77 2i2t h PRO 78 Cb 1.21 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2i2t h PRO 78 CO 0.64 0.12 0.50 -0.39 -0.21 0.00 0.00 178.00 178.66 2i2t h VAL 79 N 0.18 0.73 -0.80 3.15 -1.51 -1.93 0.30 116.25 116.37 2i2t h VAL 79 Ca 0.76 -0.09 0.10 0.00 -1.23 0.00 0.00 66.70 66.25 2i2t h VAL 79 Cb 2.18 0.45 -0.06 0.00 -2.13 0.00 0.00 31.29 31.74 2i2t h VAL 79 CO -0.45 0.05 0.52 1.62 -1.23 0.00 0.00 177.57 178.08 2i2t h VAL 80 N 0.26 0.92 0.00 7.19 3.04 0.01 -3.02 116.25 124.66 2i2t h VAL 80 Ca 0.36 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 2i2t h VAL 80 Cb 1.04 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2i2t h VAL 80 CO -0.08 0.13 0.00 -0.67 -1.01 0.00 0.00 177.57 175.93 2i2t n ASP 81 N -4.51 0.00 -3.82 3.17 2.03 0.09 -4.14 116.55 109.38 2i2t n ASP 81 Ca 0.14 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.32 2i2t n ASP 81 Cb 0.36 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.63 2i2t n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2i2t s SER 82 N -4.00 -0.13 -0.14 1.67 0.15 -1.20 -5.06 113.70 104.99 2i2t s SER 82 Ca 0.00 0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.93 2i2t s SER 82 Cb 0.00 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2i2t s SER 82 CO 0.00 -0.06 -0.15 -0.51 1.20 0.00 0.00 173.24 173.72 2i2t s ILE 83 N 0.22 1.57 0.00 6.45 -1.16 -1.26 -0.69 121.20 126.33 2i2t s ILE 83 Ca -0.01 -0.65 0.00 0.00 -0.51 0.00 0.00 60.65 59.48 2i2t s ILE 83 Cb -0.02 -1.45 0.00 0.00 0.61 0.00 0.00 42.46 41.59 2i2t s ILE 83 CO -0.01 0.46 0.00 -1.20 -2.81 0.00 0.00 174.94 171.38 2i2t n SER 84 N 4.57 0.00 0.00 4.50 7.64 0.44 -4.79 113.62 125.98 2i2t n SER 84 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2i2t n SER 84 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2i2t n SER 84 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 2i2t n VAL 85 N 0.00 0.00 0.00 0.44 3.14 -1.26 -4.60 118.33 116.05 2i2t n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2i2t n VAL 85 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2i2t n VAL 85 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2i2t n LYS 86 N -0.74 0.00 -1.81 1.45 4.01 -1.26 -2.84 118.16 116.96 2i2t n LYS 86 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 2i2t n LYS 86 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 2i2t n LYS 86 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2i2t s ARG 87 N 0.00 4.16 0.20 1.97 3.00 -1.26 -4.75 118.95 122.27 2i2t s ARG 87 Ca 0.00 2.51 0.07 0.00 -1.00 0.00 0.00 55.73 57.32 2i2t s ARG 87 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 34.95 31.82 2i2t s ARG 87 CO 0.00 -0.67 0.05 -0.98 0.00 0.00 0.00 175.30 173.70 2i2t s ARG 88 N 0.75 2.54 0.00 5.12 1.70 -1.26 0.13 118.95 127.93 2i2t s ARG 88 Ca 0.70 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 2i2t s ARG 88 Cb -0.47 -2.40 0.00 0.00 -0.57 0.00 0.00 34.95 31.51 2i2t s ARG 88 CO 0.35 0.44 0.00 0.41 -1.08 0.00 0.00 175.30 175.42 2i2t n GLY 89 N -0.43 3.70 3.46 3.88 0.00 -1.26 -3.53 105.19 111.01 2i2t n GLY 89 Ca -0.09 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 2i2t n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2t s ALA 90 N -1.59 2.82 0.00 4.61 0.00 0.27 -3.59 121.76 124.27 2i2t s ALA 90 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2i2t s ALA 90 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2i2t s ALA 90 CO 0.00 0.33 0.00 0.28 0.00 0.00 0.00 175.76 176.37 2i2t n VAL 91 N 3.16 0.00 -3.39 0.00 0.31 -1.26 -3.49 118.33 113.66 2i2t n VAL 91 Ca -0.18 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.99 2i2t n VAL 91 Cb 0.53 -0.47 0.08 0.00 -0.91 0.00 0.00 33.84 33.07 2i2t n VAL 91 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2i2t n ARG 92 N -2.22 -5.59 -3.56 5.55 3.00 -1.26 -4.99 116.66 107.59 2i2t n ARG 92 Ca 0.00 0.85 -0.06 0.00 -0.00 0.00 0.00 57.85 58.64 2i2t n ARG 92 Cb 0.26 -5.85 -0.02 0.00 0.00 0.00 0.00 32.46 26.84 2i2t n ARG 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2i2t s LYS 93 N -5.14 0.57 -0.24 -0.14 2.47 -1.26 -5.08 119.74 110.92 2i2t s LYS 93 Ca 0.11 -0.22 -0.18 0.00 -1.56 0.00 0.00 55.97 54.12 2i2t s LYS 93 Cb -0.01 0.26 -0.16 0.00 -1.46 0.00 0.00 37.83 36.45 2i2t s LYS 93 CO 0.73 -0.25 -0.04 0.00 0.16 0.00 0.00 175.35 175.95 2i2t n ALA 94 N -0.19 0.96 -2.97 3.13 0.00 -1.26 -4.84 120.51 115.35 2i2t n ALA 94 Ca -0.04 -0.76 -0.32 0.00 0.00 0.00 0.00 53.44 52.32 2i2t n ALA 94 Cb 0.60 -0.25 -0.17 0.00 0.00 0.00 0.00 19.45 19.64 2i2t n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2i2t s LYS 95 N -2.43 2.82 -0.93 0.00 3.01 -1.26 -4.59 119.74 116.36 2i2t s LYS 95 Ca -0.33 -0.88 -0.00 0.00 -1.01 0.00 0.00 55.97 53.75 2i2t s LYS 95 Cb 0.10 -2.26 0.31 0.00 -1.01 0.00 0.00 37.83 34.97 2i2t s LYS 95 CO 0.54 0.29 1.47 1.28 0.51 0.00 0.00 175.35 179.44 2i2t n LEU 96 N 3.22 6.25 0.16 3.17 4.32 0.57 -4.66 117.00 130.04 2i2t n LEU 96 Ca -0.18 -5.39 0.12 0.00 -0.02 0.00 0.00 56.01 50.54 2i2t n LEU 96 Cb 0.52 -1.05 0.22 0.00 -1.62 0.00 0.00 43.42 41.49 2i2t n LEU 96 CO 0.27 1.99 0.71 1.88 -1.22 0.00 0.00 177.39 181.02 2i2t h TYR 97 N 4.38 0.00 0.00 -1.77 -1.99 -1.98 -3.05 116.97 112.56 2i2t h TYR 97 Ca 0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.07 2i2t h TYR 97 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.20 2i2t h TYR 97 CO 1.10 0.00 0.00 2.48 -0.00 0.00 0.00 178.16 181.74 2i2t n TYR 98 N -2.72 0.00 0.17 4.88 4.11 -1.26 -0.56 117.16 121.78 2i2t n TYR 98 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.00 2i2t n TYR 98 Cb 0.50 -0.01 -0.09 0.00 -0.00 0.00 0.00 39.34 39.73 2i2t n TYR 98 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 2i2t n LEU 99 N -0.30 0.18 0.00 -3.48 7.99 -1.15 -4.66 117.00 115.58 2i2t n LEU 99 Ca 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 56.01 55.85 2i2t n LEU 99 Cb 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2i2t n LEU 99 CO 0.00 0.04 0.46 0.54 -1.51 0.00 0.00 177.39 176.93 2i2t n ARG 100 N -1.77 0.00 -2.86 3.23 3.00 0.28 -3.62 116.66 114.92 2i2t n ARG 100 Ca -0.01 0.76 -0.43 0.00 -0.01 0.00 0.00 57.85 58.16 2i2t n ARG 100 Cb 0.30 -1.42 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 2i2t n ARG 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2i2t s GLU 101 N -2.69 3.18 0.36 5.56 4.04 -1.26 -4.61 118.70 123.28 2i2t s GLU 101 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 54.97 54.36 2i2t s GLU 101 Cb 0.00 -4.16 0.00 0.00 0.02 0.00 0.00 34.13 29.99 2i2t s GLU 101 CO 0.00 -1.69 0.00 0.54 -1.84 0.00 0.00 175.26 172.27 2i2t n ARG 102 N 7.58 0.00 -0.82 -4.83 5.12 -1.24 -5.01 116.66 117.46 2i2t n ARG 102 Ca -0.02 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 55.99 2i2t n ARG 102 Cb 0.46 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.71 2i2t n ARG 102 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2i2t n THR 103 N -3.29 -0.58 -0.92 0.55 -1.04 -1.26 -4.17 114.28 103.57 2i2t n THR 103 Ca 0.00 0.55 -0.35 0.00 -2.04 0.00 0.00 64.05 62.21 2i2t n THR 103 Cb 0.00 -0.84 0.07 0.00 -1.82 0.00 0.00 70.33 67.75 2i2t n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2i2t n GLY 104 N -3.29 -3.57 4.83 3.41 0.00 -1.26 0.21 105.19 105.53 2i2t n GLY 104 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2i2t n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 105 N 1.02 0.00 0.06 1.61 4.76 -1.26 -3.93 118.16 120.43 2i2t n LYS 105 Ca 0.01 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.51 2i2t n LYS 105 Cb 0.59 -0.24 -0.05 0.00 -1.84 0.00 0.00 35.03 33.49 2i2t n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i2t n ALA 106 N 0.00 2.26 0.56 7.82 0.00 -1.04 -3.75 120.51 126.36 2i2t n ALA 106 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.16 2i2t n ALA 106 Cb 0.00 -1.01 0.15 0.00 0.00 0.00 0.00 19.45 18.58 2i2t n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 107 N -2.29 2.97 -1.51 0.00 0.00 0.13 -4.88 120.51 114.94 2i2t n ALA 107 Ca -0.05 -0.27 -0.52 0.00 0.00 0.00 0.00 53.44 52.60 2i2t n ALA 107 Cb 0.69 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 2i2t n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i2t n ARG 108 N -2.11 0.55 -4.36 0.00 1.74 -1.25 -4.99 116.66 106.25 2i2t n ARG 108 Ca 0.03 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.06 2i2t n ARG 108 Cb 0.44 -1.58 -0.09 0.00 -1.02 0.00 0.00 32.46 30.21 2i2t n ARG 108 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2i2t s ILE 109 N -0.31 2.99 0.79 0.55 -5.25 -1.26 -5.03 121.20 113.68 2i2t s ILE 109 Ca 0.77 -2.02 -0.08 0.00 -0.99 0.00 0.00 60.65 58.32 2i2t s ILE 109 Cb -1.00 -2.55 0.12 0.00 2.95 0.00 0.00 42.46 41.99 2i2t s ILE 109 CO 0.54 -0.30 1.11 -0.75 -1.79 0.00 0.00 174.94 173.75 2i2t s LYS 110 N -3.34 1.57 -0.06 0.37 2.47 -1.23 -4.91 119.74 114.61 2i2t s LYS 110 Ca 0.28 -0.53 -0.04 0.00 -1.56 0.00 0.00 55.97 54.12 2i2t s LYS 110 Cb -0.07 -2.11 -0.04 0.00 -1.46 0.00 0.00 37.83 34.15 2i2t s LYS 110 CO 0.16 -1.67 0.14 -1.21 0.16 0.00 0.00 175.35 172.94 2i2t s GLU 111 N -5.42 3.35 0.00 4.03 8.01 -1.26 -0.57 118.70 126.84 2i2t s GLU 111 Ca 0.66 -0.27 0.00 0.00 0.01 0.00 0.00 54.97 55.37 2i2t s GLU 111 Cb -0.07 -3.08 0.00 0.00 -4.31 0.00 0.00 34.13 26.67 2i2t s GLU 111 CO 0.47 0.71 0.00 -2.13 0.01 0.00 0.00 175.26 174.33 2i2t n ARG 112 N 1.47 0.00 -1.88 1.61 3.00 -1.23 -3.99 116.66 115.64 2i2t n ARG 112 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 2i2t n ARG 112 Cb 0.54 -0.35 0.00 0.00 0.00 0.00 0.00 32.46 32.65 2i2t n ARG 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2i2t n LEU 113 N 0.00 -5.85 -0.46 6.15 7.94 -1.26 -4.85 117.00 118.67 2i2t n LEU 113 Ca 0.00 3.02 0.14 0.00 -1.11 0.00 0.00 56.01 58.06 2i2t n LEU 113 Cb 0.00 -2.94 0.54 0.00 0.53 0.00 0.00 43.42 41.55 2i2t n LEU 113 CO 0.00 -1.36 0.88 0.59 -1.11 0.00 0.00 177.39 176.39