#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ASN 2 N 0.00 0.00 -0.06 6.43 5.03 -1.26 -2.25 115.26 123.15 3i1p n ASN 2 Ca 0.00 -0.29 -0.04 0.00 0.87 0.00 0.00 54.58 55.12 3i1p n ASN 2 Cb 0.00 -0.14 -0.13 0.00 -1.02 0.00 0.00 39.78 38.48 3i1p n ASN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1p n ILE 3 N -1.14 0.85 -0.01 2.41 0.13 -1.26 -2.64 119.36 117.69 3i1p n ILE 3 Ca 0.12 -0.63 -0.05 0.00 -1.10 0.00 0.00 62.75 61.08 3i1p n ILE 3 Cb 0.11 -0.40 0.02 0.00 -0.84 0.00 0.00 39.64 38.54 3i1p n ILE 3 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3i1p n ILE 4 N -2.49 1.84 0.07 9.51 5.41 -0.95 -2.39 119.36 130.36 3i1p n ILE 4 Ca -0.21 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 62.90 3i1p n ILE 4 Cb 0.90 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 3i1p n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i1p n LYS 5 N 0.61 0.00 -0.31 0.38 4.81 -1.21 -4.61 118.16 117.83 3i1p n LYS 5 Ca 0.11 0.00 0.29 0.00 -0.87 0.00 0.00 58.31 57.84 3i1p n LYS 5 Cb 0.63 0.00 0.64 0.00 0.02 0.00 0.00 35.03 36.31 3i1p n LYS 5 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3i1p h GLN 6 N 0.00 0.18 0.08 1.64 -0.00 -1.62 0.29 115.11 115.67 3i1p h GLN 6 Ca 0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.65 58.39 3i1p h GLN 6 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.43 3i1p h GLN 6 CO 0.00 0.12 -1.16 1.25 0.00 0.00 0.00 178.83 179.04 3i1p h LEU 7 N 0.18 0.25 0.35 -2.39 5.85 -1.74 -3.16 115.31 114.66 3i1p h LEU 7 Ca 0.56 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3i1p h LEU 7 Cb 1.85 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.80 3i1p h LEU 7 CO -0.14 1.22 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.67 3i1p h GLU 8 N 0.04 -0.46 0.00 1.25 5.08 -0.71 -3.34 114.58 116.45 3i1p h GLU 8 Ca -0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3i1p h GLU 8 Cb 1.90 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.25 3i1p h GLU 8 CO 0.17 -0.20 0.00 0.00 -1.00 0.00 0.00 179.01 177.98 3i1p n GLN 9 N -5.10 0.22 0.08 2.33 10.64 -0.39 -0.63 117.38 124.54 3i1p n GLN 9 Ca -0.07 0.11 0.07 0.00 -1.83 0.00 0.00 57.00 55.28 3i1p n GLN 9 Cb 0.24 -1.50 0.34 0.00 -0.86 0.00 0.00 30.24 28.46 3i1p n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3i1p n GLU 10 N -1.33 0.08 0.00 2.61 2.13 -1.19 -2.17 120.64 120.77 3i1p n GLU 10 Ca 0.08 0.50 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3i1p n GLU 10 Cb 0.18 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.16 3i1p n GLU 10 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3i1p n GLN 11 N -1.90 1.04 -2.87 5.31 6.02 0.20 -5.01 117.38 120.17 3i1p n GLN 11 Ca 0.00 -0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 55.71 3i1p n GLN 11 Cb 0.08 -0.83 -0.04 0.00 1.02 0.00 0.00 30.24 30.47 3i1p n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3i1p s MET 12 N -0.42 3.91 1.01 -1.09 -1.94 -0.92 -5.01 119.30 114.84 3i1p s MET 12 Ca 0.00 0.60 -0.13 0.00 -1.71 0.00 0.00 55.69 54.45 3i1p s MET 12 Cb 0.00 -3.76 0.20 0.00 2.01 0.00 0.00 34.83 33.27 3i1p s MET 12 CO 0.00 -0.81 1.09 -1.59 -0.01 0.00 0.00 175.02 173.70 3i1p s LYS 13 N 3.21 0.30 -0.07 2.03 0.00 -1.26 -4.98 119.74 118.97 3i1p s LYS 13 Ca 0.35 0.46 0.11 0.00 0.00 0.00 0.00 55.97 56.89 3i1p s LYS 13 Cb -0.13 -1.73 0.18 0.00 0.00 0.00 0.00 37.83 36.15 3i1p s LYS 13 CO 0.15 -2.81 1.09 1.04 0.00 0.00 0.00 175.35 174.82 3i1p n GLN 14 N -4.22 0.71 -0.02 1.78 1.13 -1.26 -4.77 117.38 110.73 3i1p n GLN 14 Ca 0.05 -1.92 0.08 0.00 -1.94 0.00 0.00 57.00 53.27 3i1p n GLN 14 Cb 0.58 -1.03 -0.14 0.00 0.11 0.00 0.00 30.24 29.75 3i1p n GLN 14 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3i1p n ASP 15 N -0.75 0.79 -4.69 1.08 10.43 -1.26 -5.00 116.55 117.14 3i1p n ASP 15 Ca 0.09 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.03 3i1p n ASP 15 Cb 0.68 1.75 -0.03 0.00 1.84 0.00 0.00 41.12 45.37 3i1p n ASP 15 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3i1p s VAL 16 N -3.20 3.57 0.75 2.53 1.01 -1.26 -5.01 120.40 118.78 3i1p s VAL 16 Ca -0.07 0.97 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 3i1p s VAL 16 Cb 0.11 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.95 3i1p s VAL 16 CO 0.76 0.00 1.07 -2.84 0.00 0.00 0.00 175.10 174.09 3i1p s PRO 17 N 2.40 1.97 -0.44 2.72 0.02 -1.26 -5.02 135.00 135.40 3i1p s PRO 17 Ca 0.66 -0.27 -0.29 0.00 0.02 0.00 0.00 61.00 61.12 3i1p s PRO 17 Cb -0.33 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.08 3i1p s PRO 17 CO 0.28 -1.42 1.43 -1.54 -0.33 0.00 0.00 177.00 175.41 3i1p s SER 18 N -4.58 6.27 0.00 2.53 1.04 -1.26 -4.94 113.70 112.77 3i1p s SER 18 Ca 0.62 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.81 3i1p s SER 18 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3i1p s SER 18 CO 0.46 -1.50 0.45 0.49 0.98 0.00 0.00 173.24 174.12 3i1p n PHE 19 N 9.05 0.00 -1.03 5.02 0.99 -1.26 -5.07 117.46 125.16 3i1p n PHE 19 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 3i1p n PHE 19 Cb 0.48 -0.34 0.00 0.00 -1.00 0.00 0.00 39.48 38.62 3i1p n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i1p n ARG 20 N -1.52 -1.57 -1.47 -1.08 3.00 -1.26 -4.66 116.66 108.09 3i1p n ARG 20 Ca 0.00 1.48 -0.48 0.00 -0.00 0.00 0.00 57.85 58.85 3i1p n ARG 20 Cb 0.00 -1.30 -0.07 0.00 0.00 0.00 0.00 32.46 31.09 3i1p n ARG 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3i1p n PRO 21 N 0.54 1.09 0.00 -0.14 -0.04 -1.26 -3.14 135.00 132.05 3i1p n PRO 21 Ca 0.00 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 3i1p n PRO 21 Cb 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 3i1p n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1p n GLY 22 N 6.42 1.13 0.00 0.55 0.00 0.13 -4.56 105.19 108.86 3i1p n GLY 22 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3i1p n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1p n ASP 23 N 0.00 0.00 0.00 1.61 10.43 -1.19 -3.21 116.55 124.19 3i1p n ASP 23 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3i1p n ASP 23 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3i1p n ASP 23 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3i1p n THR 24 N 0.00 0.00 0.00 -3.53 -2.24 -1.26 -2.50 114.28 104.76 3i1p n THR 24 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3i1p n THR 24 Cb 0.00 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3i1p n THR 24 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3i1p n VAL 25 N -0.36 0.00 -2.24 2.28 0.24 -1.26 -2.75 118.33 114.24 3i1p n VAL 25 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3i1p n VAL 25 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 3i1p n VAL 25 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i1p s GLU 26 N 0.00 4.35 -0.32 7.34 2.12 -1.25 -4.09 118.70 126.85 3i1p s GLU 26 Ca 0.00 1.99 0.03 0.00 0.36 0.00 0.00 54.97 57.34 3i1p s GLU 26 Cb 0.00 -3.28 0.09 0.00 0.26 0.00 0.00 34.13 31.21 3i1p s GLU 26 CO 0.00 -0.39 0.04 0.08 -0.54 0.00 0.00 175.26 174.45 3i1p s VAL 27 N 1.09 1.90 0.13 3.70 1.01 -0.37 -1.30 120.40 126.57 3i1p s VAL 27 Ca 0.63 -1.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 3i1p s VAL 27 Cb -0.35 -2.36 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 3i1p s VAL 27 CO 0.30 -0.53 1.18 -0.54 0.00 0.00 0.00 175.10 175.51 3i1p s LYS 28 N 1.11 4.49 -0.02 2.72 3.01 -1.24 -3.60 119.74 126.22 3i1p s LYS 28 Ca 0.08 1.80 0.02 0.00 -1.01 0.00 0.00 55.97 56.85 3i1p s LYS 28 Cb -0.19 -3.29 0.00 0.00 -1.01 0.00 0.00 37.83 33.34 3i1p s LYS 28 CO -0.11 -0.13 -0.06 0.14 0.51 0.00 0.00 175.35 175.70 3i1p s VAL 29 N 0.39 0.54 0.96 3.17 -7.23 -0.96 -4.09 120.40 113.19 3i1p s VAL 29 Ca 0.55 -0.25 -0.12 0.00 -1.81 0.00 0.00 61.98 60.35 3i1p s VAL 29 Cb -0.31 -0.48 0.11 0.00 0.56 0.00 0.00 36.38 36.26 3i1p s VAL 29 CO 0.33 0.17 0.77 0.79 -0.31 0.00 0.00 175.10 176.85 3i1p n TRP 30 N 3.21 -0.38 0.00 2.82 8.01 -0.98 -1.15 117.44 128.97 3i1p n TRP 30 Ca -0.16 0.28 0.00 0.00 -1.31 0.00 0.00 57.50 56.30 3i1p n TRP 30 Cb 0.56 -1.86 0.00 0.00 -2.01 0.00 0.00 31.31 27.99 3i1p n TRP 30 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 3i1p n VAL 31 N -4.06 0.00 -3.22 -0.99 3.14 0.75 -4.80 118.33 109.16 3i1p n VAL 31 Ca 0.09 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.18 3i1p n VAL 31 Cb 0.53 -0.10 0.02 0.00 -1.06 0.00 0.00 33.84 33.24 3i1p n VAL 31 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3i1p n VAL 32 N -0.66 -2.96 0.00 1.55 3.14 -1.26 -4.89 118.33 113.26 3i1p n VAL 32 Ca 0.00 0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 3i1p n VAL 32 Cb 0.05 -2.68 0.00 0.00 -1.06 0.00 0.00 33.84 30.15 3i1p n VAL 32 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3i1p n GLU 33 N -0.84 0.00 0.00 1.45 4.07 0.20 -4.83 120.64 120.70 3i1p n GLU 33 Ca -0.14 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 3i1p n GLU 33 Cb 0.57 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.78 3i1p n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i1p n GLY 34 N -0.78 0.04 0.00 8.31 0.00 -1.26 -4.91 105.19 106.59 3i1p n GLY 34 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i1p n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1p n SER 35 N -0.79 0.80 -4.14 1.61 7.64 -1.26 -5.07 113.62 112.41 3i1p n SER 35 Ca 0.00 -0.03 -0.30 0.00 1.01 0.00 0.00 58.87 59.55 3i1p n SER 35 Cb 0.00 0.22 -0.17 0.00 -1.01 0.00 0.00 64.21 63.26 3i1p n SER 35 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3i1p s LYS 36 N -0.38 2.58 0.49 1.43 -2.85 -1.26 -5.12 119.74 114.62 3i1p s LYS 36 Ca 0.00 -0.71 -0.04 0.00 -1.00 0.00 0.00 55.97 54.22 3i1p s LYS 36 Cb 0.00 -2.03 -0.02 0.00 -2.06 0.00 0.00 37.83 33.71 3i1p s LYS 36 CO 0.00 0.07 0.78 0.15 0.10 0.00 0.00 175.35 176.45 3i1p s LYS 37 N 0.61 3.37 0.00 1.78 1.02 -1.26 0.60 119.74 125.86 3i1p s LYS 37 Ca -0.14 0.06 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3i1p s LYS 37 Cb -0.17 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3i1p s LYS 37 CO 0.04 -0.29 0.00 2.89 -0.92 0.00 0.00 175.35 177.07 3i1p n ARG 38 N -2.28 -1.69 -3.75 1.68 1.85 -1.26 -4.78 116.66 106.43 3i1p n ARG 38 Ca 0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.58 3i1p n ARG 38 Cb 0.56 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.93 3i1p n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i1p s LEU 39 N 0.00 4.26 -0.01 2.89 1.02 -1.26 -0.18 118.68 125.41 3i1p s LEU 39 Ca 0.00 0.39 0.03 0.00 0.02 0.00 0.00 54.13 54.56 3i1p s LEU 39 Cb 0.00 -3.13 -0.01 0.00 0.02 0.00 0.00 46.19 43.07 3i1p s LEU 39 CO 0.00 0.01 -0.08 -1.58 0.02 0.00 0.00 176.35 174.72 3i1p s GLN 40 N -3.10 0.69 0.80 1.70 0.74 -0.30 -4.88 119.66 115.30 3i1p s GLN 40 Ca 0.38 -0.30 -0.11 0.00 0.05 0.00 0.00 55.36 55.38 3i1p s GLN 40 Cb -0.11 -0.67 0.07 0.00 1.10 0.00 0.00 33.01 33.39 3i1p s GLN 40 CO 0.28 0.17 1.09 0.00 -0.55 0.00 0.00 175.29 176.28 3i1p s ALA 41 N -0.16 2.14 -0.34 1.58 0.00 -1.26 -2.26 121.76 121.45 3i1p s ALA 41 Ca 0.03 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.04 3i1p s ALA 41 Cb -0.04 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 20.05 3i1p s ALA 41 CO -0.00 -1.83 0.93 0.12 0.00 0.00 0.00 175.76 174.97 3i1p s PHE 42 N -2.96 -0.78 -0.90 0.00 2.19 -1.24 -4.91 117.98 109.38 3i1p s PHE 42 Ca 0.61 0.19 -0.08 0.00 0.33 0.00 0.00 56.93 57.98 3i1p s PHE 42 Cb -0.17 0.14 0.23 0.00 -1.31 0.00 0.00 43.02 41.92 3i1p s PHE 42 CO 0.56 -0.51 0.83 -1.21 1.83 0.00 0.00 175.22 176.71 3i1p s GLU 43 N 2.12 3.55 0.00 10.12 2.02 -1.26 -1.23 118.70 134.02 3i1p s GLU 43 Ca 0.17 -2.91 0.00 0.00 0.02 0.00 0.00 54.97 52.24 3i1p s GLU 43 Cb 0.00 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.99 3i1p s GLU 43 CO -0.15 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.29 3i1p n GLY 44 N 3.09 2.67 3.27 -1.39 0.00 -1.11 -4.82 105.19 106.89 3i1p n GLY 44 Ca 0.18 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 3i1p n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1p s VAL 45 N 2.49 1.72 -0.52 1.61 1.01 0.33 -3.98 120.40 123.07 3i1p s VAL 45 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 3i1p s VAL 45 Cb 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.90 3i1p s VAL 45 CO 0.00 0.16 1.13 -0.69 0.00 0.00 0.00 175.10 175.69 3i1p s VAL 46 N -0.88 4.17 -0.05 2.92 1.01 -1.04 -1.26 120.40 125.27 3i1p s VAL 46 Ca 0.08 1.00 0.02 0.00 0.00 0.00 0.00 61.98 63.08 3i1p s VAL 46 Cb -0.09 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 3i1p s VAL 46 CO 0.02 -1.12 -0.03 2.30 0.00 0.00 0.00 175.10 176.28 3i1p n ILE 47 N 6.71 0.31 -4.99 2.22 -5.35 -0.98 0.17 119.36 117.46 3i1p n ILE 47 Ca 0.10 -0.15 -0.28 0.00 -0.27 0.00 0.00 62.75 62.15 3i1p n ILE 47 Cb 0.49 -0.77 -0.16 0.00 -1.74 0.00 0.00 39.64 37.46 3i1p n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1p s ALA 48 N -2.11 1.75 -0.14 -1.28 0.00 -1.25 -1.34 121.76 117.39 3i1p s ALA 48 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3i1p s ALA 48 Cb 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3i1p s ALA 48 CO 0.15 0.32 -0.15 -1.50 0.00 0.00 0.00 175.76 174.57 3i1p s ILE 49 N -0.00 2.75 0.00 0.00 1.10 -1.26 0.26 121.20 124.05 3i1p s ILE 49 Ca -0.05 -0.75 0.00 0.00 -0.51 0.00 0.00 60.65 59.34 3i1p s ILE 49 Cb -0.13 -2.15 0.00 0.00 0.15 0.00 0.00 42.46 40.34 3i1p s ILE 49 CO 0.03 0.52 0.00 0.54 -2.11 0.00 0.00 174.94 173.92 3i1p n ARG 50 N 3.80 0.16 -1.35 3.50 1.74 0.20 -4.81 116.66 119.89 3i1p n ARG 50 Ca -0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3i1p n ARG 50 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 3i1p n ARG 50 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i1p n ASN 51 N 0.00 -1.21 -3.00 0.55 3.02 -1.26 -4.47 115.26 108.89 3i1p n ASN 51 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 3i1p n ASN 51 Cb 0.00 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 3i1p n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1p n ARG 52 N -0.46 1.41 0.00 3.52 5.12 -1.26 -4.87 116.66 120.12 3i1p n ARG 52 Ca 0.00 -3.59 0.00 0.00 -1.93 0.00 0.00 57.85 52.33 3i1p n ARG 52 Cb 0.30 -1.69 0.00 0.00 -1.16 0.00 0.00 32.46 29.91 3i1p n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1p n GLY 53 N 0.10 3.74 0.26 -0.13 0.00 -1.26 0.97 105.19 108.87 3i1p n GLY 53 Ca 0.23 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.53 3i1p n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i1p h LEU 54 N 0.00 0.00 -0.83 0.99 5.85 -1.99 -2.94 115.31 116.39 3i1p h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i1p h LEU 54 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i1p h LEU 54 CO 0.00 0.04 0.00 1.41 -0.34 0.00 0.00 178.44 179.55 3i1p n HIS 55 N -3.13 0.02 -0.76 1.25 -0.00 0.27 -4.45 115.22 108.43 3i1p n HIS 55 Ca 0.01 -0.01 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 3i1p n HIS 55 Cb 0.38 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.50 3i1p n HIS 55 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3i1p n SER 56 N 0.01 -1.43 -3.65 0.41 7.64 -0.82 -4.55 113.62 111.23 3i1p n SER 56 Ca 0.19 0.34 -0.00 0.00 1.01 0.00 0.00 58.87 60.41 3i1p n SER 56 Cb 0.31 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 3i1p n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1p s ALA 57 N -2.46 -2.46 0.34 -0.43 0.00 -1.26 -2.91 121.76 112.58 3i1p s ALA 57 Ca 0.60 1.90 0.07 0.00 0.00 0.00 0.00 51.96 54.53 3i1p s ALA 57 Cb -0.22 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 3i1p s ALA 57 CO 0.65 -0.24 0.34 -0.59 0.00 0.00 0.00 175.76 175.91 3i1p s PHE 58 N 0.71 2.94 -0.04 0.00 -0.12 -1.13 0.59 117.98 120.92 3i1p s PHE 58 Ca -0.03 -0.30 0.07 0.00 -0.05 0.00 0.00 56.93 56.62 3i1p s PHE 58 Cb -0.03 -1.87 -0.01 0.00 -0.63 0.00 0.00 43.02 40.47 3i1p s PHE 58 CO -0.12 0.12 -0.25 0.99 -0.05 0.00 0.00 175.22 175.91 3i1p s THR 59 N -2.29 2.01 -0.29 -4.49 2.01 0.14 -0.26 115.64 112.48 3i1p s THR 59 Ca 0.42 -1.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 3i1p s THR 59 Cb -0.07 -1.68 0.09 0.00 0.01 0.00 0.00 72.50 70.85 3i1p s THR 59 CO 0.28 0.56 0.06 -0.69 -0.69 0.00 0.00 174.62 174.14 3i1p s VAL 60 N -0.32 1.10 -0.10 3.82 1.01 -0.05 -2.33 120.40 123.52 3i1p s VAL 60 Ca 0.01 -1.39 -0.19 0.00 0.00 0.00 0.00 61.98 60.41 3i1p s VAL 60 Cb -0.12 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3i1p s VAL 60 CO 0.02 -0.53 0.53 -0.60 0.00 0.00 0.00 175.10 174.52 3i1p s ARG 61 N 1.53 4.36 -0.09 2.72 3.52 -0.39 -2.31 118.95 128.30 3i1p s ARG 61 Ca 0.06 0.55 -0.02 0.00 -0.13 0.00 0.00 55.73 56.19 3i1p s ARG 61 Cb -0.18 -3.44 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 3i1p s ARG 61 CO -0.18 0.14 -0.10 1.17 -0.81 0.00 0.00 175.30 175.52 3i1p n LYS 62 N 3.67 0.20 -2.12 5.12 4.81 -1.15 0.12 118.16 128.81 3i1p n LYS 62 Ca -0.06 0.07 -0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3i1p n LYS 62 Cb 0.52 -0.96 -0.01 0.00 0.02 0.00 0.00 35.03 34.60 3i1p n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i1p n ILE 63 N -3.14 -7.52 -4.26 3.15 2.08 -1.26 -4.89 119.36 103.52 3i1p n ILE 63 Ca -0.17 1.09 -0.22 0.00 0.56 0.00 0.00 62.75 64.02 3i1p n ILE 63 Cb 0.64 -5.45 -0.12 0.00 -0.75 0.00 0.00 39.64 33.95 3i1p n ILE 63 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3i1p s SER 64 N -0.74 2.18 0.00 4.38 0.15 -1.14 -4.87 113.70 113.65 3i1p s SER 64 Ca -0.04 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 55.97 3i1p s SER 64 Cb 0.00 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 3i1p s SER 64 CO 0.42 0.01 0.00 0.59 1.20 0.00 0.00 173.24 175.46 3i1p n ASN 65 N 1.23 0.00 0.00 5.45 5.03 -1.26 -2.90 115.26 122.81 3i1p n ASN 65 Ca -0.20 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.25 3i1p n ASN 65 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.30 3i1p n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i1p n GLY 66 N 0.00 0.02 3.71 7.41 0.00 -1.26 -5.12 105.19 109.95 3i1p n GLY 66 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i1p n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i1p s GLU 67 N -1.05 2.11 0.86 1.61 -6.30 -1.14 -5.10 118.70 109.69 3i1p s GLU 67 Ca 0.00 -2.07 -0.11 0.00 -2.50 0.00 0.00 54.97 50.29 3i1p s GLU 67 Cb 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 34.13 32.47 3i1p s GLU 67 CO 0.00 -0.17 1.09 0.20 0.02 0.00 0.00 175.26 176.40 3i1p s GLY 68 N -3.85 1.62 -0.27 -1.50 0.00 -1.26 -2.88 107.32 99.19 3i1p s GLY 68 Ca 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.89 3i1p s GLY 68 CO 0.17 0.36 0.12 0.14 0.00 0.00 0.00 173.10 173.89 3i1p s VAL 69 N -3.00 -0.03 0.40 1.40 1.01 -1.26 -4.78 120.40 114.14 3i1p s VAL 69 Ca 0.63 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 3i1p s VAL 69 Cb -0.17 -0.94 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 3i1p s VAL 69 CO 0.56 -0.65 1.22 -1.61 0.00 0.00 0.00 175.10 174.62 3i1p s GLU 70 N 2.09 4.04 -0.17 2.72 2.02 -1.26 -2.95 118.70 125.19 3i1p s GLU 70 Ca 0.08 1.96 -0.04 0.00 0.02 0.00 0.00 54.97 56.98 3i1p s GLU 70 Cb -0.16 -2.73 0.07 0.00 0.10 0.00 0.00 34.13 31.42 3i1p s GLU 70 CO -0.32 -0.36 0.16 0.50 0.02 0.00 0.00 175.26 175.26 3i1p s ARG 71 N -2.24 0.12 -0.45 1.61 3.52 -0.98 -4.95 118.95 115.58 3i1p s ARG 71 Ca 0.56 0.15 -0.24 0.00 -0.13 0.00 0.00 55.73 56.08 3i1p s ARG 71 Cb -0.34 -1.30 0.03 0.00 -1.56 0.00 0.00 34.95 31.78 3i1p s ARG 71 CO 0.43 -0.61 0.81 0.14 -0.81 0.00 0.00 175.30 175.26 3i1p s VAL 72 N 2.25 4.61 0.08 7.11 -7.23 -1.26 -0.87 120.40 125.09 3i1p s VAL 72 Ca 0.05 0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.47 3i1p s VAL 72 Cb -0.15 -4.35 -0.06 0.00 0.56 0.00 0.00 36.38 32.38 3i1p s VAL 72 CO -0.10 -0.75 0.69 -0.36 -0.31 0.00 0.00 175.10 174.27 3i1p s PHE 73 N 3.39 3.79 -0.68 2.82 0.08 0.65 -4.97 117.98 123.06 3i1p s PHE 73 Ca 0.31 1.41 -0.27 0.00 0.12 0.00 0.00 56.93 58.50 3i1p s PHE 73 Cb -0.12 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.67 3i1p s PHE 73 CO 0.23 0.44 1.34 -0.65 -0.10 0.00 0.00 175.22 176.48 3i1p s GLN 74 N -0.66 3.20 0.60 0.44 -1.52 -1.26 -2.84 119.66 117.62 3i1p s GLN 74 Ca 0.34 -0.00 0.29 0.00 -1.95 0.00 0.00 55.36 54.04 3i1p s GLN 74 Cb -0.21 -4.17 1.63 0.00 -0.22 0.00 0.00 33.01 30.04 3i1p s GLN 74 CO 0.22 -2.11 2.03 0.00 -0.25 0.00 0.00 175.29 175.18 3i1p h THR 75 N 6.17 0.38 -0.08 -0.19 1.03 -1.86 0.54 112.91 118.91 3i1p h THR 75 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 3i1p h THR 75 Cb 1.07 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 3i1p h THR 75 CO 1.25 0.00 0.00 1.41 -0.01 0.00 0.00 175.52 178.17 3i1p n HIS 76 N -3.67 0.08 -1.09 0.00 8.25 -1.26 -4.99 115.22 112.53 3i1p n HIS 76 Ca 0.03 -0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 57.08 3i1p n HIS 76 Cb 0.42 -0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.65 3i1p n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i1p n SER 77 N 0.74 0.28 0.08 0.41 2.88 0.18 -4.87 113.62 113.31 3i1p n SER 77 Ca 0.09 0.56 0.03 0.00 -1.33 0.00 0.00 58.87 58.21 3i1p n SER 77 Cb 0.35 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.36 3i1p n SER 77 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i1p h PRO 78 N -0.90 0.00 0.00 -1.46 0.13 -1.94 -3.31 132.00 124.52 3i1p h PRO 78 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3i1p h PRO 78 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3i1p h PRO 78 CO 0.44 0.28 0.00 1.33 -0.23 0.00 0.00 178.00 179.82 3i1p n VAL 79 N -2.94 0.11 -0.00 1.56 0.24 -1.26 -2.70 118.33 113.33 3i1p n VAL 79 Ca -0.05 0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.14 3i1p n VAL 79 Cb 0.75 -0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 32.20 3i1p n VAL 79 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i1p h VAL 80 N 0.00 0.82 0.00 3.34 2.07 -1.80 -2.59 116.25 118.09 3i1p h VAL 80 Ca 0.00 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 64.91 3i1p h VAL 80 Cb 0.03 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3i1p h VAL 80 CO 0.00 0.67 0.00 -0.67 0.02 0.00 0.00 177.57 177.59 3i1p n ASP 81 N -3.24 0.00 -4.93 0.57 2.03 -1.10 -4.34 116.55 105.53 3i1p n ASP 81 Ca -0.21 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.89 3i1p n ASP 81 Cb 1.05 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.49 3i1p n ASP 81 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3i1p s SER 82 N -4.00 5.16 -0.30 1.67 0.01 -1.26 -5.06 113.70 109.93 3i1p s SER 82 Ca 0.00 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 3i1p s SER 82 Cb 0.00 -0.53 0.18 0.00 0.21 0.00 0.00 66.02 65.89 3i1p s SER 82 CO 0.00 -1.22 1.10 -0.51 0.41 0.00 0.00 173.24 173.02 3i1p s ILE 83 N -2.73 -0.16 0.00 1.44 -1.16 -1.26 -3.62 121.20 113.70 3i1p s ILE 83 Ca 0.59 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.73 3i1p s ILE 83 Cb -0.09 -0.15 0.00 0.00 0.61 0.00 0.00 42.46 42.84 3i1p s ILE 83 CO 0.38 0.00 0.00 -1.20 -2.81 0.00 0.00 174.94 171.31 3i1p n SER 84 N 4.95 0.00 -2.94 4.50 7.64 -0.42 -4.77 113.62 122.58 3i1p n SER 84 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3i1p n SER 84 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3i1p n SER 84 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i1p s VAL 85 N 0.83 -0.62 0.13 0.44 0.11 -1.26 -3.90 120.40 116.12 3i1p s VAL 85 Ca 0.00 -0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 58.67 3i1p s VAL 85 Cb 0.00 0.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.82 3i1p s VAL 85 CO 0.00 0.00 1.65 0.11 -3.33 0.00 0.00 175.10 173.53 3i1p h LYS 86 N 5.90 -0.30 0.00 1.54 6.56 -1.90 -3.45 116.57 124.91 3i1p h LYS 86 Ca 0.01 0.02 -0.52 0.00 -1.06 0.00 0.00 60.65 59.11 3i1p h LYS 86 Cb 1.19 0.07 -0.11 0.00 -0.57 0.00 0.00 32.23 32.81 3i1p h LYS 86 CO 0.00 -0.20 -0.41 -2.13 -2.06 0.00 0.00 179.45 174.65 3i1p n ARG 87 N -5.35 0.70 -5.02 3.15 0.63 -1.26 -5.03 116.66 104.49 3i1p n ARG 87 Ca -0.04 -3.11 -0.28 0.00 -0.92 0.00 0.00 57.85 53.50 3i1p n ARG 87 Cb 0.26 1.45 -0.16 0.00 0.45 0.00 0.00 32.46 34.46 3i1p n ARG 87 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3i1p s ARG 88 N -3.44 1.92 0.07 -0.14 0.52 -1.26 -4.23 118.95 112.40 3i1p s ARG 88 Ca 0.13 -0.74 0.06 0.00 -0.52 0.00 0.00 55.73 54.67 3i1p s ARG 88 Cb 0.01 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.71 3i1p s ARG 88 CO 0.09 0.36 -0.08 0.20 0.02 0.00 0.00 175.30 175.90 3i1p s GLY 89 N -0.23 1.79 -0.82 -3.53 0.00 -1.20 -1.69 107.32 101.64 3i1p s GLY 89 Ca 0.01 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 3i1p s GLY 89 CO 0.01 -1.11 0.68 0.00 0.00 0.00 0.00 173.10 172.68 3i1p s ALA 90 N -1.16 4.08 -0.21 3.20 0.00 -1.26 -4.52 121.76 121.89 3i1p s ALA 90 Ca 0.21 -3.78 -0.13 0.00 0.00 0.00 0.00 51.96 48.25 3i1p s ALA 90 Cb -0.11 -2.66 -0.19 0.00 0.00 0.00 0.00 23.12 20.16 3i1p s ALA 90 CO 0.12 -2.13 0.05 0.28 0.00 0.00 0.00 175.76 174.08 3i1p n VAL 91 N 2.37 1.58 -3.14 0.00 0.31 -1.26 -4.30 118.33 113.89 3i1p n VAL 91 Ca 0.20 -0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.13 3i1p n VAL 91 Cb 0.37 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 3i1p n VAL 91 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1p n ARG 92 N -4.03 -1.60 0.00 5.55 0.63 -1.26 -5.03 116.66 110.93 3i1p n ARG 92 Ca -0.40 1.52 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 3i1p n ARG 92 Cb 0.85 -5.09 0.00 0.00 0.45 0.00 0.00 32.46 28.68 3i1p n ARG 92 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i1p n LYS 93 N -1.52 0.00 0.00 -0.14 3.00 -1.26 -5.12 118.16 113.12 3i1p n LYS 93 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 3i1p n LYS 93 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 3i1p n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1p n ALA 94 N -0.08 0.00 -2.71 3.14 0.00 -1.26 -4.70 120.51 114.89 3i1p n ALA 94 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3i1p n ALA 94 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 3i1p n ALA 94 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1p s LYS 95 N -1.00 3.62 -0.69 0.00 -0.14 -1.26 -4.90 119.74 115.37 3i1p s LYS 95 Ca 0.00 -0.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.57 3i1p s LYS 95 Cb 0.00 -3.01 0.39 0.00 -1.68 0.00 0.00 37.83 33.53 3i1p s LYS 95 CO 0.00 0.59 1.74 1.28 -0.76 0.00 0.00 175.35 178.20 3i1p n LEU 96 N 0.79 6.67 0.24 3.17 4.32 -0.45 -4.70 117.00 127.03 3i1p n LEU 96 Ca -0.08 -4.87 0.13 0.00 -0.02 0.00 0.00 56.01 51.17 3i1p n LEU 96 Cb 0.52 -0.86 0.39 0.00 -1.62 0.00 0.00 43.42 41.86 3i1p n LEU 96 CO 0.44 1.87 0.85 1.88 -1.22 0.00 0.00 177.39 181.21 3i1p h TYR 97 N 2.72 0.00 0.00 -1.77 -1.99 -1.96 -3.13 116.97 110.84 3i1p h TYR 97 Ca 0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.22 3i1p h TYR 97 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 3i1p h TYR 97 CO 1.10 0.07 0.00 2.48 -0.00 0.00 0.00 178.16 181.81 3i1p n TYR 98 N -3.15 0.72 0.81 4.88 4.11 -1.26 -2.40 117.16 120.88 3i1p n TYR 98 Ca 0.02 0.31 0.13 0.00 -0.00 0.00 0.00 57.90 58.36 3i1p n TYR 98 Cb 0.45 -1.00 0.48 0.00 -0.00 0.00 0.00 39.34 39.27 3i1p n TYR 98 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3i1p n LEU 99 N -2.18 0.42 0.00 -3.48 4.77 -1.18 -3.87 117.00 111.48 3i1p n LEU 99 Ca 0.01 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.53 3i1p n LEU 99 Cb 0.17 -0.39 0.27 0.00 -2.33 0.00 0.00 43.42 41.14 3i1p n LEU 99 CO 0.16 -0.08 0.50 0.54 -1.33 0.00 0.00 177.39 177.19 3i1p n ARG 100 N -1.87 0.54 -3.27 3.23 1.74 -1.01 -3.56 116.66 112.47 3i1p n ARG 100 Ca 0.06 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.94 3i1p n ARG 100 Cb 0.39 -1.26 -0.07 0.00 -1.02 0.00 0.00 32.46 30.49 3i1p n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i1p s GLU 101 N -2.00 0.83 0.00 5.56 8.01 -1.25 -5.06 118.70 124.79 3i1p s GLU 101 Ca 0.14 -1.48 0.00 0.00 0.01 0.00 0.00 54.97 53.63 3i1p s GLU 101 Cb 0.06 -0.94 0.00 0.00 -4.31 0.00 0.00 34.13 28.94 3i1p s GLU 101 CO 0.10 -1.31 0.00 0.54 0.01 0.00 0.00 175.26 174.61 3i1p n ARG 102 N 3.37 0.00 0.00 1.61 5.12 -1.23 -4.94 116.66 120.58 3i1p n ARG 102 Ca 0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 3i1p n ARG 102 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 3i1p n ARG 102 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i1p n THR 103 N -0.70 0.00 -1.41 0.55 -1.04 -1.26 -4.64 114.28 105.79 3i1p n THR 103 Ca 0.00 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 3i1p n THR 103 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3i1p n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1p n GLY 104 N -0.51 -1.74 3.30 3.41 0.00 -1.26 -0.71 105.19 107.67 3i1p n GLY 104 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3i1p n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1p n LYS 105 N 1.01 0.00 0.00 1.61 4.76 -1.26 -4.68 118.16 119.60 3i1p n LYS 105 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 3i1p n LYS 105 Cb 0.28 -2.58 0.00 0.00 -1.84 0.00 0.00 35.03 30.90 3i1p n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1p n ALA 106 N 0.69 2.34 -0.48 7.82 0.00 0.11 -4.84 120.51 126.15 3i1p n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 106 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i1p n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 107 N -2.61 -0.17 -0.14 0.00 0.00 -0.80 -4.90 120.51 111.88 3i1p n ALA 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 107 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3i1p n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p n ARG 108 N -1.28 0.00 0.00 0.00 1.74 -1.26 -4.90 116.66 110.96 3i1p n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1p n ARG 108 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i1p n ARG 108 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3i1p n ILE 109 N 0.36 0.00 -3.21 0.55 5.41 -1.26 -5.04 119.36 116.17 3i1p n ILE 109 Ca 0.00 0.34 0.00 0.00 1.00 0.00 0.00 62.75 64.09 3i1p n ILE 109 Cb 0.00 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 3i1p n ILE 109 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i1p n LYS 110 N -0.03 0.00 -3.62 0.38 5.02 -1.26 -4.90 118.16 113.75 3i1p n LYS 110 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3i1p n LYS 110 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 3i1p n LYS 110 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3i1p s GLU 111 N -1.44 0.99 0.00 1.97 8.01 -1.26 -4.21 118.70 122.76 3i1p s GLU 111 Ca 0.00 -1.73 0.00 0.00 0.01 0.00 0.00 54.97 53.25 3i1p s GLU 111 Cb 0.00 -1.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.89 3i1p s GLU 111 CO 0.00 -1.18 0.00 -2.13 0.01 0.00 0.00 175.26 171.96 3i1p n ARG 112 N 3.76 0.00 -1.07 1.61 0.63 -0.68 -4.86 116.66 116.06 3i1p n ARG 112 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 3i1p n ARG 112 Cb 0.35 -0.11 0.00 0.00 0.45 0.00 0.00 32.46 33.15 3i1p n ARG 112 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3i1p n LEU 113 N 0.00 -3.97 0.00 6.15 0.00 -1.26 -4.98 117.00 112.93 3i1p n LEU 113 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 56.01 57.91 3i1p n LEU 113 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 43.42 41.99 3i1p n LEU 113 CO 0.00 -0.23 0.15 0.59 0.00 0.00 0.00 177.39 177.90