#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q s GLN 4 N 0.00 1.21 -0.61 1.20 -1.52 -1.26 -5.02 119.66 113.66 3i1q s GLN 4 Ca 0.00 -0.84 0.04 0.00 -1.95 0.00 0.00 55.36 52.61 3i1q s GLN 4 Cb 0.00 0.48 0.16 0.00 -0.22 0.00 0.00 33.01 33.43 3i1q s GLN 4 CO 0.00 -0.49 0.42 0.71 -0.25 0.00 0.00 175.29 175.69 3i1q s TYR 5 N -3.86 2.92 1.04 0.91 4.12 -1.23 -5.02 117.35 116.22 3i1q s TYR 5 Ca 0.08 -3.05 -0.12 0.00 0.02 0.00 0.00 57.07 54.00 3i1q s TYR 5 Cb 0.01 -2.29 0.21 0.00 -1.52 0.00 0.00 41.96 38.37 3i1q s TYR 5 CO -0.06 -0.64 1.07 -0.47 0.02 0.00 0.00 175.55 175.47 3i1q s TYR 6 N -0.92 1.66 -0.23 2.71 6.14 -1.26 -3.35 117.35 122.10 3i1q s TYR 6 Ca 0.25 1.35 -0.22 0.00 0.64 0.00 0.00 57.07 59.09 3i1q s TYR 6 Cb -0.06 -3.18 0.06 0.00 0.42 0.00 0.00 41.96 39.20 3i1q s TYR 6 CO -0.15 -3.25 0.63 0.20 0.64 0.00 0.00 175.55 173.63 3i1q s GLY 7 N -2.79 -0.48 0.00 8.97 0.00 -0.08 -4.45 107.32 108.49 3i1q s GLY 7 Ca 0.67 1.76 0.00 0.00 0.00 0.00 0.00 44.72 47.15 3i1q s GLY 7 CO 0.61 1.51 0.00 2.41 0.00 0.00 0.00 173.10 177.63 3i1q n THR 8 N 2.67 0.00 -0.18 0.90 -1.04 -1.26 0.22 114.28 115.59 3i1q n THR 8 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3i1q n THR 8 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3i1q n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1q n GLY 9 N 4.51 -2.95 3.25 3.41 0.00 -1.26 -3.99 105.19 108.15 3i1q n GLY 9 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 3i1q n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1q s ARG 10 N -3.66 0.94 -0.39 1.61 1.70 -1.26 -2.43 118.95 115.45 3i1q s ARG 10 Ca 0.00 -0.97 0.07 0.00 -0.47 0.00 0.00 55.73 54.35 3i1q s ARG 10 Cb 0.00 0.37 0.18 0.00 -0.57 0.00 0.00 34.95 34.93 3i1q s ARG 10 CO 0.00 -0.32 0.66 0.50 -1.08 0.00 0.00 175.30 175.06 3i1q s ARG 11 N -3.88 0.75 -0.25 3.89 6.06 -1.05 -4.62 118.95 119.86 3i1q s ARG 11 Ca 0.07 -0.18 -0.02 0.00 -2.50 0.00 0.00 55.73 53.10 3i1q s ARG 11 Cb 0.04 0.11 0.00 0.00 0.06 0.00 0.00 34.95 35.16 3i1q s ARG 11 CO -0.09 -1.11 0.07 1.17 -2.50 0.00 0.00 175.30 172.84 3i1q n LYS 12 N 4.46 -2.55 0.00 5.12 4.81 -1.26 -4.00 118.16 124.73 3i1q n LYS 12 Ca 0.10 2.18 0.00 0.00 -0.87 0.00 0.00 58.31 59.72 3i1q n LYS 12 Cb 0.57 -4.41 0.00 0.00 0.02 0.00 0.00 35.03 31.21 3i1q n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1q n SER 13 N 0.40 0.00 -4.70 3.14 2.88 -1.26 -4.28 113.62 109.80 3i1q n SER 13 Ca 0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.13 3i1q n SER 13 Cb 0.06 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3i1q n SER 13 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3i1q s SER 14 N 0.00 7.19 -0.41 -3.46 0.01 -1.25 -4.19 113.70 111.58 3i1q s SER 14 Ca 0.00 1.71 -0.06 0.00 1.31 0.00 0.00 55.95 58.91 3i1q s SER 14 Cb 0.00 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.76 3i1q s SER 14 CO 0.00 -0.46 0.22 0.00 0.41 0.00 0.00 173.24 173.41 3i1q s ALA 15 N 1.75 3.19 -0.36 1.44 0.00 -0.19 -2.52 121.76 125.07 3i1q s ALA 15 Ca 0.53 -2.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.05 3i1q s ALA 15 Cb -0.22 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.40 3i1q s ALA 15 CO 0.23 -1.69 0.27 0.00 0.00 0.00 0.00 175.76 174.56 3i1q s ALA 16 N 1.28 3.50 -0.19 0.00 0.00 -1.02 -3.03 121.76 122.30 3i1q s ALA 16 Ca 0.04 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 3i1q s ALA 16 Cb -0.23 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.09 3i1q s ALA 16 CO -0.01 -1.15 0.17 -0.98 0.00 0.00 0.00 175.76 173.79 3i1q s ARG 17 N 1.73 4.19 0.12 0.00 1.70 -0.60 -4.12 118.95 121.98 3i1q s ARG 17 Ca 0.06 -0.15 0.07 0.00 -0.47 0.00 0.00 55.73 55.25 3i1q s ARG 17 Cb -0.18 -3.42 -0.04 0.00 -0.57 0.00 0.00 34.95 30.74 3i1q s ARG 17 CO 0.10 0.29 -0.07 0.08 -1.08 0.00 0.00 175.30 174.63 3i1q s VAL 18 N 0.36 3.51 -0.18 4.99 1.01 0.13 -0.86 120.40 129.36 3i1q s VAL 18 Ca 0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 3i1q s VAL 18 Cb -0.11 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.64 3i1q s VAL 18 CO -0.01 0.04 0.02 -0.36 0.00 0.00 0.00 175.10 174.80 3i1q s PHE 19 N -1.38 1.13 -0.25 5.22 0.08 0.44 -0.90 117.98 122.31 3i1q s PHE 19 Ca 0.24 -0.86 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 3i1q s PHE 19 Cb -0.11 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.24 3i1q s PHE 19 CO 0.16 -0.59 0.25 0.42 -0.10 0.00 0.00 175.22 175.36 3i1q s ILE 20 N 1.82 5.28 -0.04 0.64 1.01 -1.21 -0.55 121.20 128.15 3i1q s ILE 20 Ca -0.01 0.34 0.02 0.00 0.00 0.00 0.00 60.65 61.01 3i1q s ILE 20 Cb -0.17 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.73 3i1q s ILE 20 CO -0.08 0.26 -0.08 -0.75 0.00 0.00 0.00 174.94 174.30 3i1q s LYS 21 N 1.53 1.10 -0.40 2.79 2.36 -0.62 -3.54 119.74 122.96 3i1q s LYS 21 Ca 0.11 -0.25 -0.27 0.00 -2.55 0.00 0.00 55.97 53.01 3i1q s LYS 21 Cb -0.15 -1.00 -0.06 0.00 -1.05 0.00 0.00 37.83 35.57 3i1q s LYS 21 CO 0.08 0.01 2.31 -1.25 1.55 0.00 0.00 175.35 178.06 3i1q s PRO 22 N 0.59 2.48 0.00 4.03 0.04 -1.26 0.11 135.00 140.99 3i1q s PRO 22 Ca -0.10 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.52 3i1q s PRO 22 Cb -0.13 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.91 3i1q s PRO 22 CO 0.01 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.61 3i1q n GLY 23 N 5.90 2.33 3.88 0.56 0.00 -0.97 -4.82 105.19 112.07 3i1q n GLY 23 Ca 0.34 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 3i1q n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i1q s ASN 24 N 2.00 6.61 0.00 1.61 0.01 -1.26 -1.25 114.94 122.66 3i1q s ASN 24 Ca 0.00 0.82 0.00 0.00 -0.71 0.00 0.00 52.86 52.97 3i1q s ASN 24 Cb 0.00 -2.19 0.00 0.00 0.41 0.00 0.00 41.25 39.47 3i1q s ASN 24 CO 0.00 0.01 0.80 0.61 -1.51 0.00 0.00 177.10 177.01 3i1q n GLY 25 N 0.16 1.39 2.89 0.66 0.00 -1.13 -1.48 105.19 107.68 3i1q n GLY 25 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3i1q n GLY 25 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i1q n LYS 26 N 0.96 -0.73 -3.72 1.61 2.85 -1.26 -4.82 118.16 113.05 3i1q n LYS 26 Ca 0.00 -1.66 -0.14 0.00 -1.05 0.00 0.00 58.31 55.46 3i1q n LYS 26 Cb 0.31 -0.90 -0.15 0.00 -0.65 0.00 0.00 35.03 33.65 3i1q n LYS 26 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 3i1q s ILE 27 N -2.96 -0.12 -1.19 0.58 1.09 -1.26 -3.86 121.20 113.48 3i1q s ILE 27 Ca 0.55 0.23 0.13 0.00 -1.10 0.00 0.00 60.65 60.46 3i1q s ILE 27 Cb -0.02 -0.28 -0.01 0.00 -1.06 0.00 0.00 42.46 41.09 3i1q s ILE 27 CO 0.38 0.09 0.74 0.52 -0.10 0.00 0.00 174.94 176.58 3i1q n VAL 28 N 4.57 0.00 -0.38 2.92 0.31 -1.24 -3.65 118.33 120.86 3i1q n VAL 28 Ca -0.20 -0.36 -0.15 0.00 -0.01 0.00 0.00 64.34 63.63 3i1q n VAL 28 Cb 0.51 1.15 -0.02 0.00 -0.91 0.00 0.00 33.84 34.57 3i1q n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1q n ILE 29 N -0.22 0.00 -4.03 2.52 3.06 -1.23 -0.67 119.36 118.79 3i1q n ILE 29 Ca 0.05 0.00 -0.38 0.00 -2.50 0.00 0.00 62.75 59.92 3i1q n ILE 29 Cb 0.27 -0.01 0.01 0.00 0.54 0.00 0.00 39.64 40.46 3i1q n ILE 29 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3i1q n ASN 30 N 0.42 -3.12 -4.20 9.51 4.13 0.21 -1.10 115.26 121.11 3i1q n ASN 30 Ca 0.05 -1.07 -0.31 0.00 1.68 0.00 0.00 54.58 54.93 3i1q n ASN 30 Cb 0.02 -1.29 -0.09 0.00 -1.54 0.00 0.00 39.78 36.88 3i1q n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1q n GLN 31 N -4.32 -0.90 -3.59 3.52 6.02 0.15 -4.90 117.38 113.36 3i1q n GLN 31 Ca -0.10 0.09 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 3i1q n GLN 31 Cb 0.46 -3.50 -0.06 0.00 1.02 0.00 0.00 30.24 28.16 3i1q n GLN 31 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3i1q s ARG 32 N -6.97 0.71 1.21 -1.09 3.52 -0.26 -5.12 118.95 110.94 3i1q s ARG 32 Ca 0.16 0.42 -0.18 0.00 -0.13 0.00 0.00 55.73 56.01 3i1q s ARG 32 Cb -0.09 0.34 0.25 0.00 -1.56 0.00 0.00 34.95 33.88 3i1q s ARG 32 CO 0.92 -0.17 0.54 0.45 -0.81 0.00 0.00 175.30 176.23 3i1q n SER 33 N 1.48 -3.15 0.21 -2.12 2.88 -1.26 -3.50 113.62 108.16 3i1q n SER 33 Ca -0.13 -0.48 0.08 0.00 -1.33 0.00 0.00 58.87 57.00 3i1q n SER 33 Cb 0.57 -0.94 0.42 0.00 -0.75 0.00 0.00 64.21 63.51 3i1q n SER 33 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3i1q h LEU 34 N -2.92 0.00 0.00 2.46 5.85 -1.93 -3.12 115.31 115.65 3i1q h LEU 34 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3i1q h LEU 34 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3i1q h LEU 34 CO 0.26 0.30 -1.04 -0.62 -0.34 0.00 0.00 178.44 177.00 3i1q n GLU 35 N -3.53 0.13 -0.61 1.25 -0.58 -1.26 -1.23 120.64 114.81 3i1q n GLU 35 Ca -0.00 -0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.73 3i1q n GLU 35 Cb 0.44 -1.52 0.24 0.00 -0.57 0.00 0.00 31.44 30.04 3i1q n GLU 35 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3i1q n GLN 36 N -1.68 3.31 0.00 3.49 1.13 -1.18 -4.41 117.38 118.05 3i1q n GLN 36 Ca 0.03 -2.03 0.00 0.00 -1.94 0.00 0.00 57.00 53.06 3i1q n GLN 36 Cb 0.38 -1.97 0.00 0.00 0.11 0.00 0.00 30.24 28.76 3i1q n GLN 36 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 3i1q n TYR 37 N 0.28 -0.33 -0.08 1.08 -0.00 -1.26 -4.83 117.16 112.03 3i1q n TYR 37 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.11 3i1q n TYR 37 Cb 0.92 0.24 0.00 0.00 -0.00 0.00 0.00 39.34 40.50 3i1q n TYR 37 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.86 178.83 3i1q n PHE 38 N -1.98 0.00 -2.05 2.98 1.16 -1.25 -5.07 117.46 111.24 3i1q n PHE 38 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 3i1q n PHE 38 Cb 0.00 0.06 0.00 0.00 -1.61 0.00 0.00 39.48 37.93 3i1q n PHE 38 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1q n GLY 39 N 0.00 3.98 0.00 4.97 0.00 -0.37 -2.99 105.19 110.78 3i1q n GLY 39 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3i1q n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1q n ARG 40 N 6.39 0.00 0.00 1.61 0.63 -1.25 -4.55 116.66 119.49 3i1q n ARG 40 Ca 0.49 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 3i1q n ARG 40 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 3i1q n ARG 40 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3i1q n GLU 41 N 0.00 0.00 -0.98 -0.14 4.71 -1.16 -4.79 120.64 118.28 3i1q n GLU 41 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 56.97 3i1q n GLU 41 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.45 3i1q n GLU 41 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 3i1q n THR 42 N 0.00 2.86 0.00 2.62 -1.04 -1.26 -3.29 114.28 114.17 3i1q n THR 42 Ca 0.00 -1.84 0.00 0.00 -2.04 0.00 0.00 64.05 60.17 3i1q n THR 42 Cb 0.00 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 3i1q n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1q n ALA 43 N 0.49 0.00 -0.26 2.41 0.00 -1.26 -4.56 120.51 117.33 3i1q n ALA 43 Ca 0.33 0.00 0.28 0.00 0.00 0.00 0.00 53.44 54.05 3i1q n ALA 43 Cb 0.58 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.68 3i1q n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q h ARG 44 N 0.00 0.14 0.00 0.00 3.08 -1.77 -2.90 114.38 112.93 3i1q h ARG 44 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i1q h ARG 44 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3i1q h ARG 44 CO 0.00 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 3i1q n MET 45 N -4.36 0.00 0.00 0.04 0.00 -1.26 -3.93 117.12 107.61 3i1q n MET 45 Ca 0.22 -0.21 0.04 0.00 0.00 0.00 0.00 57.70 57.75 3i1q n MET 45 Cb 0.99 -0.34 0.19 0.00 0.00 0.00 0.00 33.22 34.06 3i1q n MET 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 3i1q n VAL 46 N 0.00 0.74 -0.03 3.17 0.24 -1.09 -0.04 118.33 121.31 3i1q n VAL 46 Ca 0.00 0.18 -0.07 0.00 -2.04 0.00 0.00 64.34 62.42 3i1q n VAL 46 Cb 0.40 -1.06 -0.13 0.00 -1.47 0.00 0.00 33.84 31.58 3i1q n VAL 46 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i1q n VAL 47 N -1.24 1.43 0.45 3.34 0.24 -1.26 -4.05 118.33 117.23 3i1q n VAL 47 Ca 0.04 -0.78 0.12 0.00 -2.04 0.00 0.00 64.34 61.68 3i1q n VAL 47 Cb 0.05 -0.81 0.26 0.00 -1.47 0.00 0.00 33.84 31.87 3i1q n VAL 47 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3i1q h ARG 48 N 0.00 0.00 -0.05 7.34 1.12 -0.79 -3.37 114.38 118.62 3i1q h ARG 48 Ca -0.32 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.59 3i1q h ARG 48 Cb 1.96 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 31.87 3i1q h ARG 48 CO 0.06 0.00 -0.30 1.96 -3.11 0.00 0.00 179.97 178.58 3i1q h GLN 49 N 0.00 -0.40 0.00 0.20 4.20 -1.38 -1.48 115.11 116.25 3i1q h GLN 49 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3i1q h GLN 49 Cb 0.84 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3i1q h GLN 49 CO 0.00 -0.27 0.28 -0.35 -0.67 0.00 0.00 178.83 177.82 3i1q n PRO 50 N -5.40 0.03 -1.88 1.46 -0.04 -1.26 0.87 135.00 128.79 3i1q n PRO 50 Ca -0.04 0.36 -0.31 0.00 -0.04 0.00 0.00 63.50 63.47 3i1q n PRO 50 Cb 0.31 -1.87 0.04 0.00 -0.04 0.00 0.00 33.50 31.94 3i1q n PRO 50 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i1q n LEU 51 N -1.51 6.30 0.00 1.53 4.77 -0.56 -4.70 117.00 122.83 3i1q n LEU 51 Ca -0.00 -4.72 0.00 0.00 -0.03 0.00 0.00 56.01 51.26 3i1q n LEU 51 Cb 0.29 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 3i1q n LEU 51 CO 0.02 1.86 0.00 -0.62 -1.33 0.00 0.00 177.39 177.32 3i1q n GLU 52 N -0.69 0.00 -0.24 3.23 1.02 0.25 -4.49 120.64 119.72 3i1q n GLU 52 Ca 0.51 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.91 3i1q n GLU 52 Cb 0.66 0.00 0.64 0.00 -0.02 0.00 0.00 31.44 32.72 3i1q n GLU 52 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3i1q h LEU 53 N 0.00 0.17 -8.28 -4.62 4.07 -1.89 -3.26 115.31 101.50 3i1q h LEU 53 Ca 0.00 0.02 -0.53 0.00 0.08 0.00 0.00 57.88 57.45 3i1q h LEU 53 Cb 0.00 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 3i1q h LEU 53 CO 0.00 0.05 1.21 0.68 -1.08 0.00 0.00 178.44 179.31 3i1q s VAL 54 N -5.16 3.71 1.04 1.22 -7.23 -1.26 -4.99 120.40 107.73 3i1q s VAL 54 Ca -0.06 -0.09 -0.14 0.00 -1.81 0.00 0.00 61.98 59.88 3i1q s VAL 54 Cb 0.23 -4.75 0.13 0.00 0.56 0.00 0.00 36.38 32.54 3i1q s VAL 54 CO 0.78 -1.67 0.55 -0.67 -0.31 0.00 0.00 175.10 173.78 3i1q n ASP 55 N 10.11 -1.66 0.00 4.85 4.64 -1.23 -4.49 116.55 128.77 3i1q n ASP 55 Ca 0.19 0.12 0.00 0.00 -1.38 0.00 0.00 54.79 53.72 3i1q n ASP 55 Cb 0.50 -1.20 0.00 0.00 -1.04 0.00 0.00 41.12 39.38 3i1q n ASP 55 CO 0.00 0.00 0.00 1.15 -0.82 0.00 0.00 177.20 177.53 3i1q n MET 56 N -2.91 0.00 0.00 -0.67 0.00 -1.26 -4.91 117.12 107.36 3i1q n MET 56 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 3i1q n MET 56 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.78 3i1q n MET 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3i1q n VAL 57 N 0.00 0.00 -2.09 3.17 0.31 -1.26 -1.40 118.33 117.06 3i1q n VAL 57 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3i1q n VAL 57 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1q n VAL 57 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1q n GLU 58 N 0.00 0.00 0.04 5.55 -0.58 -1.26 -3.09 120.64 121.30 3i1q n GLU 58 Ca 0.00 -1.11 -0.22 0.00 -0.42 0.00 0.00 57.16 55.40 3i1q n GLU 58 Cb 0.00 -0.36 -0.14 0.00 -0.57 0.00 0.00 31.44 30.37 3i1q n GLU 58 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3i1q h LYS 59 N 0.18 0.33 -2.15 3.49 3.64 -1.18 -3.39 116.57 117.49 3i1q h LYS 59 Ca -0.05 -0.56 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 3i1q h LYS 59 Cb 1.46 0.21 -0.18 0.00 -0.41 0.00 0.00 32.23 33.31 3i1q h LYS 59 CO 0.01 1.27 0.26 -0.48 -2.27 0.00 0.00 179.45 178.24 3i1q s LEU 60 N -7.18 -0.59 0.40 5.20 2.34 -0.38 -2.28 118.68 116.19 3i1q s LEU 60 Ca -0.19 0.50 0.08 0.00 0.06 0.00 0.00 54.13 54.57 3i1q s LEU 60 Cb 0.06 2.44 -0.02 0.00 -0.56 0.00 0.00 46.19 48.11 3i1q s LEU 60 CO 0.81 -0.65 0.39 -0.62 -1.06 0.00 0.00 176.35 175.22 3i1q s ASP 61 N -1.55 5.17 -0.31 1.48 2.15 0.12 -2.85 116.67 120.88 3i1q s ASP 61 Ca -0.07 -0.66 0.03 0.00 0.43 0.00 0.00 52.55 52.29 3i1q s ASP 61 Cb -0.00 -0.66 0.17 0.00 -0.30 0.00 0.00 42.92 42.13 3i1q s ASP 61 CO 0.03 -0.61 0.45 -1.48 -0.17 0.00 0.00 175.17 173.39 3i1q s LEU 62 N -4.13 -0.88 -0.19 -1.34 2.34 -1.25 -1.59 118.68 111.65 3i1q s LEU 62 Ca 0.48 -0.50 -0.29 0.00 0.06 0.00 0.00 54.13 53.88 3i1q s LEU 62 Cb -0.04 1.24 0.00 0.00 -0.56 0.00 0.00 46.19 46.83 3i1q s LEU 62 CO 0.28 -0.32 1.01 -0.47 -1.06 0.00 0.00 176.35 175.79 3i1q s TYR 63 N 2.37 3.40 0.03 3.48 6.14 0.29 -3.64 117.35 129.43 3i1q s TYR 63 Ca 0.11 1.49 0.05 0.00 0.64 0.00 0.00 57.07 59.36 3i1q s TYR 63 Cb -0.12 -3.22 -0.02 0.00 0.42 0.00 0.00 41.96 39.02 3i1q s TYR 63 CO -0.24 -0.38 -0.15 0.42 0.64 0.00 0.00 175.55 175.84 3i1q s ILE 64 N 2.74 1.17 -0.21 3.14 1.01 -1.26 -0.42 121.20 127.37 3i1q s ILE 64 Ca 0.45 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3i1q s ILE 64 Cb -0.16 -1.04 0.06 0.00 0.01 0.00 0.00 42.46 41.32 3i1q s ILE 64 CO 0.10 0.07 -0.01 -0.89 0.00 0.00 0.00 174.94 174.21 3i1q s THR 65 N -0.77 0.98 0.00 2.92 2.01 -0.04 0.68 115.64 121.41 3i1q s THR 65 Ca 0.03 -0.82 0.06 0.00 0.31 0.00 0.00 61.69 61.27 3i1q s THR 65 Cb -0.08 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 3i1q s THR 65 CO 0.01 -0.12 -0.19 0.54 -0.69 0.00 0.00 174.62 174.17 3i1q s VAL 66 N 1.65 2.72 0.05 3.82 0.11 -1.26 -1.56 120.40 125.94 3i1q s VAL 66 Ca -0.03 -1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 57.93 3i1q s VAL 66 Cb -0.18 -2.08 -0.01 0.00 -1.53 0.00 0.00 36.38 32.58 3i1q s VAL 66 CO -0.07 0.46 0.13 -1.59 -3.33 0.00 0.00 175.10 170.70 3i1q s LYS 67 N -1.05 0.68 0.00 1.54 0.00 -1.17 -4.98 119.74 114.76 3i1q s LYS 67 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 55.97 55.26 3i1q s LYS 67 Cb -0.10 0.27 0.00 0.00 0.00 0.00 0.00 37.83 38.00 3i1q s LYS 67 CO 0.02 -0.19 0.00 0.41 0.00 0.00 0.00 175.35 175.60 3i1q n GLY 68 N 0.45 -0.90 7.00 0.59 0.00 -1.26 -1.02 105.19 110.06 3i1q n GLY 68 Ca -0.17 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3i1q n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 69 N -0.87 -0.03 0.00 -0.02 0.00 -1.26 -4.23 105.19 98.78 3i1q n GLY 69 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3i1q n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1q n GLY 70 N 0.00 6.06 0.00 -0.02 0.00 -1.26 -4.90 105.19 105.07 3i1q n GLY 70 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3i1q n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1q n ILE 71 N 0.00 0.00 0.25 -0.61 2.08 -1.26 -1.45 119.36 118.36 3i1q n ILE 71 Ca 0.00 0.34 0.08 0.00 0.56 0.00 0.00 62.75 63.73 3i1q n ILE 71 Cb 0.00 -1.20 0.43 0.00 -0.75 0.00 0.00 39.64 38.13 3i1q n ILE 71 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 3i1q h SER 72 N 0.00 0.00 0.00 4.38 4.64 -1.99 0.21 113.55 120.79 3i1q h SER 72 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i1q h SER 72 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i1q h SER 72 CO 0.00 0.00 -0.00 1.23 -0.87 0.00 0.00 176.83 177.19 3i1q h GLY 73 N 0.00 -0.01 1.55 -0.77 0.00 -1.84 -0.40 103.07 101.60 3i1q h GLY 73 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3i1q h GLY 73 CO 0.00 -0.00 0.17 1.46 0.00 0.00 0.00 176.54 178.16 3i1q h GLN 74 N -0.86 0.00 0.01 4.80 4.20 0.56 -0.36 115.11 123.46 3i1q h GLN 74 Ca -0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 3i1q h GLN 74 Cb 0.83 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.62 3i1q h GLN 74 CO 0.00 0.00 -0.30 0.00 -0.67 0.00 0.00 178.83 177.86 3i1q h ALA 75 N 1.87 0.03 -0.56 3.87 0.00 -1.40 -2.98 119.26 120.09 3i1q h ALA 75 Ca 0.10 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.57 3i1q h ALA 75 Cb 0.43 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3i1q h ALA 75 CO -0.00 0.13 0.29 0.78 0.00 0.00 0.00 179.25 180.45 3i1q h GLY 76 N -0.48 0.79 0.15 0.00 0.00 -0.41 -0.72 103.07 102.40 3i1q h GLY 76 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3i1q h GLY 76 CO 0.06 0.13 -0.32 0.00 0.00 0.00 0.00 176.54 176.41 3i1q h ALA 77 N 1.29 -0.89 -0.98 3.60 0.00 -1.16 -0.37 119.26 120.75 3i1q h ALA 77 Ca 0.24 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3i1q h ALA 77 Cb 0.14 0.67 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 3i1q h ALA 77 CO -0.16 -0.94 -0.48 0.82 0.00 0.00 0.00 179.25 178.48 3i1q h ILE 78 N -0.51 0.00 -0.88 0.00 2.04 -1.35 0.88 117.51 117.68 3i1q h ILE 78 Ca -0.02 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 3i1q h ILE 78 Cb 0.49 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.42 3i1q h ILE 78 CO -0.13 0.00 0.05 -0.09 0.00 0.00 0.00 178.15 177.98 3i1q h ARG 79 N -0.01 0.08 0.14 2.37 1.12 -0.48 -1.05 114.38 116.55 3i1q h ARG 79 Ca 0.26 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.12 3i1q h ARG 79 Cb 0.52 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 3i1q h ARG 79 CO -0.96 0.05 -0.07 1.25 -3.11 0.00 0.00 179.97 177.14 3i1q h HIS 80 N 0.08 -0.17 0.00 2.20 2.76 0.18 -3.23 115.15 116.97 3i1q h HIS 80 Ca 0.52 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.68 3i1q h HIS 80 Cb 1.00 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.02 3i1q h HIS 80 CO -0.44 0.29 0.06 0.41 -1.30 0.00 0.00 177.93 176.96 3i1q n GLY 81 N 0.66 -0.19 0.11 5.26 0.00 0.25 -1.49 105.19 109.79 3i1q n GLY 81 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3i1q n GLY 81 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1q n ILE 82 N -1.13 1.51 0.17 -0.61 5.41 -0.55 -3.50 119.36 120.66 3i1q n ILE 82 Ca 0.00 -0.08 0.18 0.00 1.00 0.00 0.00 62.75 63.85 3i1q n ILE 82 Cb 0.06 -2.10 0.80 0.00 -0.71 0.00 0.00 39.64 37.69 3i1q n ILE 82 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3i1q h THR 83 N -1.00 0.46 0.09 1.39 1.35 -1.29 0.96 112.91 114.87 3i1q h THR 83 Ca -0.35 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.30 3i1q h THR 83 Cb 1.22 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3i1q h THR 83 CO -0.21 0.00 -1.04 0.03 -0.25 0.00 0.00 175.52 174.05 3i1q h ARG 84 N 0.00 0.19 0.00 4.72 3.08 -1.76 -3.22 114.38 117.39 3i1q h ARG 84 Ca 0.12 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3i1q h ARG 84 Cb 0.66 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3i1q h ARG 84 CO -0.00 1.16 0.00 0.00 -1.07 0.00 0.00 179.97 180.06 3i1q n ALA 85 N -2.89 1.43 0.84 0.04 0.00 0.33 -0.36 120.51 119.89 3i1q n ALA 85 Ca -0.21 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.32 3i1q n ALA 85 Cb 0.80 -1.07 0.29 0.00 0.00 0.00 0.00 19.45 19.46 3i1q n ALA 85 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1q n LEU 86 N -1.26 2.54 0.13 0.00 7.94 0.31 -3.86 117.00 122.79 3i1q n LEU 86 Ca 0.02 -1.04 0.10 0.00 -1.11 0.00 0.00 56.01 53.98 3i1q n LEU 86 Cb 0.03 -0.15 0.49 0.00 0.53 0.00 0.00 43.42 44.33 3i1q n LEU 86 CO 0.03 0.52 0.81 1.15 -1.11 0.00 0.00 177.39 178.80 3i1q n MET 87 N 0.91 0.14 -0.30 1.96 0.00 0.51 -3.45 117.12 116.89 3i1q n MET 87 Ca 0.17 0.52 0.02 0.00 0.00 0.00 0.00 57.70 58.41 3i1q n MET 87 Cb 0.47 -1.87 0.15 0.00 0.00 0.00 0.00 33.22 31.98 3i1q n MET 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 3i1q h GLU 88 N 0.00 0.87 -0.05 3.17 -0.00 -1.79 -2.29 114.58 114.48 3i1q h GLU 88 Ca 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.36 59.26 3i1q h GLU 88 Cb 0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 28.71 3i1q h GLU 88 CO 0.00 0.58 -0.15 1.88 -0.00 0.00 0.00 179.01 181.32 3i1q h TYR 89 N 0.90 0.25 -1.30 2.06 0.05 -1.90 -3.49 116.97 113.54 3i1q h TYR 89 Ca 0.38 -0.10 0.32 0.00 0.05 0.00 0.00 58.73 59.38 3i1q h TYR 89 Cb 0.25 -0.04 -0.16 0.00 1.01 0.00 0.00 36.73 37.78 3i1q h TYR 89 CO -0.04 0.76 0.88 0.16 -1.05 0.00 0.00 178.16 178.87 3i1q s ASP 90 N -6.09 -0.06 -0.22 3.88 -4.77 -0.86 -4.96 116.67 103.58 3i1q s ASP 90 Ca -0.15 -0.04 0.08 0.00 -3.30 0.00 0.00 52.55 49.14 3i1q s ASP 90 Cb 0.03 0.10 0.58 0.00 -1.09 0.00 0.00 42.92 42.53 3i1q s ASP 90 CO 0.73 -0.17 1.50 -0.62 0.70 0.00 0.00 175.17 177.31 3i1q n GLU 91 N -0.26 3.36 -0.00 2.11 -0.58 -1.26 -3.95 120.64 120.06 3i1q n GLU 91 Ca -0.03 -2.31 0.09 0.00 -0.42 0.00 0.00 57.16 54.49 3i1q n GLU 91 Cb 0.60 -2.02 -0.12 0.00 -0.57 0.00 0.00 31.44 29.33 3i1q n GLU 91 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i1q n SER 92 N 0.13 0.87 -0.09 1.62 2.88 -1.26 -4.41 113.62 113.36 3i1q n SER 92 Ca 0.27 -0.42 -0.11 0.00 -1.33 0.00 0.00 58.87 57.28 3i1q n SER 92 Cb 1.07 1.44 -0.15 0.00 -0.75 0.00 0.00 64.21 65.81 3i1q n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1q n LEU 93 N -1.79 0.41 -1.37 2.46 -0.00 -1.25 -4.30 117.00 111.16 3i1q n LEU 93 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 3i1q n LEU 93 Cb 0.37 0.31 0.00 0.00 -0.00 0.00 0.00 43.42 44.11 3i1q n LEU 93 CO 0.36 0.53 0.60 -1.14 -0.00 0.00 0.00 177.39 177.75 3i1q n ARG 94 N -2.84 0.75 0.00 1.47 0.63 -1.26 0.99 116.66 116.41 3i1q n ARG 94 Ca -0.33 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.60 3i1q n ARG 94 Cb 1.13 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.92 3i1q n ARG 94 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i1q n SER 95 N 1.21 0.00 -0.59 6.15 7.64 -1.26 -4.41 113.62 122.36 3i1q n SER 95 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 3i1q n SER 95 Cb 0.38 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.63 3i1q n SER 95 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1q n GLU 96 N 0.00 1.44 0.01 1.43 -0.58 -0.57 -4.05 120.64 118.32 3i1q n GLU 96 Ca 0.00 -1.31 0.11 0.00 -0.42 0.00 0.00 57.16 55.54 3i1q n GLU 96 Cb 0.00 -1.31 -0.09 0.00 -0.57 0.00 0.00 31.44 29.48 3i1q n GLU 96 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3i1q n LEU 97 N 0.65 0.53 0.11 -4.62 7.94 0.28 -4.13 117.00 117.76 3i1q n LEU 97 Ca 0.09 -0.16 -0.18 0.00 -1.11 0.00 0.00 56.01 54.66 3i1q n LEU 97 Cb 0.40 -0.03 -0.13 0.00 0.53 0.00 0.00 43.42 44.18 3i1q n LEU 97 CO 0.13 0.09 -0.06 -0.09 -1.11 0.00 0.00 177.39 176.35 3i1q h ARG 98 N 0.00 0.35 -0.75 1.96 2.43 -1.77 -3.18 114.38 113.42 3i1q h ARG 98 Ca 0.00 -0.57 0.07 0.00 -0.81 0.00 0.00 59.98 58.67 3i1q h ARG 98 Cb 0.76 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 3i1q h ARG 98 CO 0.00 1.26 0.44 -0.22 -1.51 0.00 0.00 179.97 179.94 3i1q h LYS 99 N 0.11 0.77 0.00 0.20 3.64 -1.72 0.62 116.57 120.19 3i1q h LYS 99 Ca -0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3i1q h LYS 99 Cb 1.97 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 3i1q h LYS 99 CO 0.22 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.90 3i1q n ALA 100 N -2.36 1.81 -0.86 5.00 0.00 -1.24 -4.85 120.51 118.02 3i1q n ALA 100 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1q n ALA 100 Cb 0.19 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3i1q n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1q n GLY 101 N -0.12 0.89 0.00 0.00 0.00 0.22 -4.85 105.19 101.32 3i1q n GLY 101 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3i1q n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1q n PHE 102 N -2.00 0.00 0.01 1.61 3.72 -1.20 -3.27 117.46 116.34 3i1q n PHE 102 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 3i1q n PHE 102 Cb 0.00 -0.26 -0.14 0.00 -0.94 0.00 0.00 39.48 38.14 3i1q n PHE 102 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 3i1q h VAL 103 N 0.00 0.97 -4.35 -4.37 -1.51 -1.83 -3.42 116.25 101.73 3i1q h VAL 103 Ca 0.00 -2.73 -0.51 0.00 -1.23 0.00 0.00 66.70 62.23 3i1q h VAL 103 Cb 0.12 2.57 0.06 0.00 -2.13 0.00 0.00 31.29 31.90 3i1q h VAL 103 CO 0.00 0.70 0.42 -0.89 -1.23 0.00 0.00 177.57 176.57 3i1q s THR 104 N -2.61 4.70 -0.29 7.19 2.01 -1.20 -4.99 115.64 120.46 3i1q s THR 104 Ca -0.09 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 62.71 3i1q s THR 104 Cb 0.08 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3i1q s THR 104 CO 0.82 -1.13 0.13 -0.60 -0.69 0.00 0.00 174.62 173.15 3i1q s ARG 105 N -5.14 3.51 -0.83 4.92 3.00 -1.26 -5.02 118.95 118.13 3i1q s ARG 105 Ca 0.55 -0.59 -0.26 0.00 -1.00 0.00 0.00 55.73 54.43 3i1q s ARG 105 Cb -0.11 -3.49 -0.11 0.00 0.00 0.00 0.00 34.95 31.24 3i1q s ARG 105 CO 0.53 -0.31 2.26 -0.51 0.00 0.00 0.00 175.30 177.27 3i1q s ASP 106 N 1.63 4.27 0.00 -2.12 -0.00 -1.26 -4.76 116.67 114.43 3i1q s ASP 106 Ca 0.05 -0.20 0.10 0.00 -0.00 0.00 0.00 52.55 52.51 3i1q s ASP 106 Cb -0.16 -2.55 0.48 0.00 -0.00 0.00 0.00 42.92 40.69 3i1q s ASP 106 CO 0.06 -3.54 1.25 0.00 -0.00 0.00 0.00 175.17 172.94 3i1q n ALA 107 N 17.23 1.58 -1.68 5.23 0.00 -1.26 -4.60 120.51 137.00 3i1q n ALA 107 Ca 0.45 -0.04 -0.54 0.00 0.00 0.00 0.00 53.44 53.30 3i1q n ALA 107 Cb 0.44 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 3i1q n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1q n ARG 108 N -1.36 1.39 -4.31 0.00 1.74 -1.26 -4.94 116.66 107.91 3i1q n ARG 108 Ca 0.04 0.51 -0.24 0.00 -0.77 0.00 0.00 57.85 57.39 3i1q n ARG 108 Cb 0.09 -2.22 -0.12 0.00 -1.02 0.00 0.00 32.46 29.19 3i1q n ARG 108 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i1q s GLN 109 N 3.02 1.21 0.40 5.56 -1.52 -1.26 -4.76 119.66 122.31 3i1q s GLN 109 Ca 0.94 -1.26 -0.24 0.00 -1.95 0.00 0.00 55.36 52.85 3i1q s GLN 109 Cb -0.96 -1.44 -0.12 0.00 -0.22 0.00 0.00 33.01 30.27 3i1q s GLN 109 CO 0.59 0.32 0.85 1.33 -0.25 0.00 0.00 175.29 178.13 3i1q n VAL 110 N 0.81 2.19 -3.43 1.09 0.24 -1.26 -4.93 118.33 113.04 3i1q n VAL 110 Ca -0.17 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.24 3i1q n VAL 110 Cb 0.55 -0.90 -0.09 0.00 -1.47 0.00 0.00 33.84 31.92 3i1q n VAL 110 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3i1q s GLU 111 N -1.81 4.03 0.95 7.34 2.56 -1.26 -5.06 118.70 125.46 3i1q s GLU 111 Ca 0.63 -0.00 -0.13 0.00 0.00 0.00 0.00 54.97 55.47 3i1q s GLU 111 Cb -0.60 -3.64 0.04 0.00 2.00 0.00 0.00 34.13 31.93 3i1q s GLU 111 CO 0.57 -0.22 0.42 2.89 -0.56 0.00 0.00 175.26 178.36 3i1q n ARG 112 N 5.14 -0.30 -3.17 4.30 1.85 -1.26 -4.76 116.66 118.46 3i1q n ARG 112 Ca -0.09 -0.05 -0.41 0.00 -1.00 0.00 0.00 57.85 56.30 3i1q n ARG 112 Cb 0.51 -1.87 -0.07 0.00 -1.05 0.00 0.00 32.46 29.98 3i1q n ARG 112 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3i1q s LYS 113 N -3.66 3.89 -0.04 2.89 2.20 -1.26 -3.90 119.74 119.86 3i1q s LYS 113 Ca 0.57 0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 56.23 3i1q s LYS 113 Cb -0.21 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 3i1q s LYS 113 CO 0.67 -0.53 0.49 0.15 -0.36 0.00 0.00 175.35 175.78 3i1q s LYS 114 N 2.50 4.21 -0.03 4.03 1.02 -1.26 -4.79 119.74 125.42 3i1q s LYS 114 Ca 0.23 0.53 -0.38 0.00 0.02 0.00 0.00 55.97 56.37 3i1q s LYS 114 Cb -0.15 -3.33 -0.16 0.00 -0.52 0.00 0.00 37.83 33.66 3i1q s LYS 114 CO 0.11 0.40 1.45 1.55 -0.92 0.00 0.00 175.35 177.95 3i1q n VAL 115 N 2.74 0.09 0.00 3.17 3.14 -1.26 -2.48 118.33 123.73 3i1q n VAL 115 Ca -0.09 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 3i1q n VAL 115 Cb 0.52 -0.92 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 3i1q n VAL 115 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1q n GLY 116 N 3.00 3.14 3.75 7.55 0.00 -1.26 -5.05 105.19 116.32 3i1q n GLY 116 Ca 0.21 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 3i1q n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1q s LEU 117 N 0.00 4.33 0.24 0.99 1.43 -1.04 -4.56 118.68 120.08 3i1q s LEU 117 Ca 0.00 0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 53.94 3i1q s LEU 117 Cb 0.00 -2.68 0.49 0.00 0.03 0.00 0.00 46.19 44.03 3i1q s LEU 117 CO 0.00 0.09 1.27 -1.14 0.23 0.00 0.00 176.35 176.80 3i1q n ARG 118 N 3.18 -0.07 -3.08 1.70 0.63 0.35 -3.97 116.66 115.40 3i1q n ARG 118 Ca -0.09 1.25 0.02 0.00 -0.92 0.00 0.00 57.85 58.11 3i1q n ARG 118 Cb 0.52 -1.92 -0.00 0.00 0.45 0.00 0.00 32.46 31.51 3i1q n ARG 118 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3i1q s LYS 119 N -5.90 0.55 0.00 -0.14 -2.85 -1.18 -5.00 119.74 105.23 3i1q s LYS 119 Ca -0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 3i1q s LYS 119 Cb 0.23 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3i1q s LYS 119 CO 0.63 -0.84 0.00 0.00 0.10 0.00 0.00 175.35 175.24 3i1q n ALA 120 N 4.48 0.00 0.00 0.59 0.00 -1.25 -2.96 120.51 121.36 3i1q n ALA 120 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3i1q n ALA 120 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i1q n ALA 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1q n ARG 121 N 0.00 2.55 -1.73 0.00 5.12 -1.26 -4.52 116.66 116.81 3i1q n ARG 121 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 3i1q n ARG 121 Cb 0.00 -0.98 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 3i1q n ARG 121 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i1q s ARG 122 N -1.96 3.07 -0.01 5.56 6.06 -1.16 -4.92 118.95 125.59 3i1q s ARG 122 Ca 0.00 1.74 -0.25 0.00 -2.50 0.00 0.00 55.73 54.72 3i1q s ARG 122 Cb 0.00 -4.34 -0.04 0.00 0.06 0.00 0.00 34.95 30.63 3i1q s ARG 122 CO 0.00 -2.17 0.77 0.50 -2.50 0.00 0.00 175.30 171.90 3i1q s ARG 123 N 6.36 4.48 0.06 5.12 6.06 -1.26 0.13 118.95 139.90 3i1q s ARG 123 Ca 0.93 1.04 -0.30 0.00 -2.50 0.00 0.00 55.73 54.90 3i1q s ARG 123 Cb -0.28 -3.42 -0.09 0.00 0.06 0.00 0.00 34.95 31.22 3i1q s ARG 123 CO 0.33 0.12 1.91 -1.25 -2.50 0.00 0.00 175.30 173.91 3i1q s PRO 124 N 0.53 4.14 -0.09 5.12 0.04 -1.26 -4.79 135.00 138.70 3i1q s PRO 124 Ca 0.41 2.58 -0.38 0.00 0.04 0.00 0.00 61.00 63.65 3i1q s PRO 124 Cb -0.19 -3.99 -0.16 0.00 0.04 0.00 0.00 34.50 30.20 3i1q s PRO 124 CO 0.22 -0.92 1.55 0.94 0.04 0.00 0.00 177.00 178.83 3i1q n GLN 125 N 6.97 1.19 -4.25 4.56 7.27 -1.26 -4.95 117.38 126.92 3i1q n GLN 125 Ca 0.19 0.43 -0.23 0.00 0.07 0.00 0.00 57.00 57.46 3i1q n GLN 125 Cb 0.40 -2.10 -0.07 0.00 2.41 0.00 0.00 30.24 30.88 3i1q n GLN 125 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 3i1q s PHE 126 N 2.00 2.69 1.28 3.69 -0.12 -1.26 -5.11 117.98 121.14 3i1q s PHE 126 Ca 0.91 -0.29 -0.19 0.00 -0.05 0.00 0.00 56.93 57.31 3i1q s PHE 126 Cb -1.00 -1.35 0.29 0.00 -0.63 0.00 0.00 43.02 40.34 3i1q s PHE 126 CO 0.56 0.53 0.67 -1.13 -0.05 0.00 0.00 175.22 175.79 3i1q n SER 127 N -0.97 -3.49 0.00 1.98 3.41 -1.26 -5.00 113.62 108.29 3i1q n SER 127 Ca -0.05 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3i1q n SER 127 Cb 0.60 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3i1q n SER 127 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3i1q n LYS 128 N -4.23 0.00 0.00 4.33 -0.00 -1.26 -5.30 118.16 111.70 3i1q n LYS 128 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.51 3i1q n LYS 128 Cb 0.51 0.00 0.09 0.00 -0.00 0.00 0.00 35.03 35.63 3i1q n LYS 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94