#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n ILE 2 N 0.00 0.00 -3.76 2.02 -0.00 -1.26 -5.05 119.36 111.31 3i1r n ILE 2 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.54 3i1r n ILE 2 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 39.47 3i1r n ILE 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i1r s ARG 3 N -1.00 0.27 0.47 6.28 1.70 -1.26 -5.13 118.95 120.28 3i1r s ARG 3 Ca 0.00 0.21 -0.23 0.00 -0.47 0.00 0.00 55.73 55.24 3i1r s ARG 3 Cb 0.00 -0.70 -0.08 0.00 -0.57 0.00 0.00 34.95 33.60 3i1r s ARG 3 CO 0.00 -0.28 1.20 -1.91 -1.08 0.00 0.00 175.30 173.23 3i1r n GLU 4 N 5.03 1.64 -0.35 3.89 0.00 -1.26 -4.84 120.64 124.76 3i1r n GLU 4 Ca -0.09 0.59 0.27 0.00 0.00 0.00 0.00 57.16 57.93 3i1r n GLU 4 Cb 0.50 -2.33 0.56 0.00 0.00 0.00 0.00 31.44 30.16 3i1r n GLU 4 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3i1r h GLU 5 N 1.63 0.29 -0.38 5.31 4.81 -2.00 -1.75 114.58 122.49 3i1r h GLU 5 Ca -0.48 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3i1r h GLU 5 Cb 1.31 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 3i1r h GLU 5 CO 0.57 0.19 -0.54 0.00 -0.73 0.00 0.00 179.01 178.50 3i1r h ARG 6 N 0.30 -0.40 0.00 1.92 3.08 -2.05 0.88 114.38 118.11 3i1r h ARG 6 Ca 0.64 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.71 3i1r h ARG 6 Cb 1.78 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.92 3i1r h ARG 6 CO -0.30 -0.26 0.00 -0.11 -1.07 0.00 0.00 179.97 178.23 3i1r n LEU 7 N -5.39 0.00 -1.97 3.04 7.94 -0.66 -3.25 117.00 116.71 3i1r n LEU 7 Ca -0.03 0.33 -0.13 0.00 -1.11 0.00 0.00 56.01 55.07 3i1r n LEU 7 Cb 0.35 -0.33 -0.08 0.00 0.53 0.00 0.00 43.42 43.89 3i1r n LEU 7 CO 0.02 -0.26 1.40 0.18 -1.11 0.00 0.00 177.39 177.62 3i1r n LEU 8 N -1.33 5.70 -1.50 -1.96 4.77 0.31 -3.57 117.00 119.41 3i1r n LEU 8 Ca 0.03 -3.19 -0.13 0.00 -0.03 0.00 0.00 56.01 52.69 3i1r n LEU 8 Cb 0.06 -1.26 0.14 0.00 -2.33 0.00 0.00 43.42 40.03 3i1r n LEU 8 CO 0.05 1.47 0.63 2.29 -1.33 0.00 0.00 177.39 180.51 3i1r n LYS 9 N 1.61 2.38 0.05 3.23 2.85 -1.20 -4.68 118.16 122.40 3i1r n LYS 9 Ca 0.32 -3.47 0.03 0.00 -1.05 0.00 0.00 58.31 54.15 3i1r n LYS 9 Cb 0.69 -1.98 -0.06 0.00 -0.65 0.00 0.00 35.03 33.03 3i1r n LYS 9 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3i1r n VAL 10 N -1.00 1.01 -2.37 0.58 0.24 -1.23 -4.65 118.33 110.91 3i1r n VAL 10 Ca 0.39 -0.65 -0.40 0.00 -2.04 0.00 0.00 64.34 61.64 3i1r n VAL 10 Cb 0.96 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.68 3i1r n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i1r s LEU 11 N -5.64 3.23 -0.19 1.34 1.43 -1.26 -1.86 118.68 115.73 3i1r s LEU 11 Ca -0.02 -0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 3i1r s LEU 11 Cb 0.09 -2.62 -0.18 0.00 0.03 0.00 0.00 46.19 43.51 3i1r s LEU 11 CO 0.81 -1.99 0.22 0.03 0.23 0.00 0.00 176.35 175.65 3i1r h ARG 12 N 11.70 0.00 -1.85 1.70 2.47 -1.69 -3.49 114.38 123.23 3i1r h ARG 12 Ca -0.27 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.48 3i1r h ARG 12 Cb 1.09 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.21 3i1r h ARG 12 CO 1.25 0.89 0.41 0.00 0.56 0.00 0.00 179.97 183.07 3i1r s ALA 13 N -2.39 -1.85 0.60 0.04 0.00 -0.43 -5.01 121.76 112.71 3i1r s ALA 13 Ca -0.26 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.92 3i1r s ALA 13 Cb 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3i1r s ALA 13 CO 0.55 -0.39 1.08 -1.25 0.00 0.00 0.00 175.76 175.76 3i1r s PRO 14 N -1.47 3.20 -0.47 0.00 0.04 -1.26 0.13 135.00 135.18 3i1r s PRO 14 Ca -0.04 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3i1r s PRO 14 Cb -0.00 -2.01 0.49 0.00 0.04 0.00 0.00 34.50 33.02 3i1r s PRO 14 CO 0.03 -0.92 1.69 1.58 0.04 0.00 0.00 177.00 179.41 3i1r n HIS 15 N -1.95 2.67 -1.34 0.56 -0.00 -0.98 -4.56 115.22 109.62 3i1r n HIS 15 Ca 0.10 -2.40 -0.12 0.00 0.46 0.00 0.00 57.72 55.76 3i1r n HIS 15 Cb 0.52 -0.91 -0.12 0.00 -0.12 0.00 0.00 29.99 29.37 3i1r n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3i1r n VAL 16 N -0.93 0.00 -3.57 3.57 0.31 -1.26 -4.64 118.33 111.81 3i1r n VAL 16 Ca 0.52 -0.44 -0.02 0.00 -0.01 0.00 0.00 64.34 64.39 3i1r n VAL 16 Cb 0.94 -0.50 -0.05 0.00 -0.91 0.00 0.00 33.84 33.32 3i1r n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i1r s SER 17 N 2.44 -0.74 0.19 4.52 0.01 -1.26 -5.12 113.70 113.74 3i1r s SER 17 Ca 0.75 1.08 0.00 0.00 1.31 0.00 0.00 55.95 59.09 3i1r s SER 17 Cb -0.36 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.46 3i1r s SER 17 CO 0.26 -0.16 0.00 1.21 0.41 0.00 0.00 173.24 174.96 3i1r n GLU 18 N 4.55 -2.51 -0.24 12.44 4.07 -1.26 -3.44 120.64 134.25 3i1r n GLU 18 Ca -0.15 1.82 0.10 0.00 -0.06 0.00 0.00 57.16 58.87 3i1r n GLU 18 Cb 0.55 -2.00 0.19 0.00 -0.06 0.00 0.00 31.44 30.12 3i1r n GLU 18 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 3i1r n LYS 19 N -0.06 -0.05 -0.25 5.31 2.85 -1.26 0.99 118.16 125.69 3i1r n LYS 19 Ca 0.00 1.02 -0.06 0.00 -1.05 0.00 0.00 58.31 58.21 3i1r n LYS 19 Cb 0.00 -1.61 -0.06 0.00 -0.65 0.00 0.00 35.03 32.71 3i1r n LYS 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1r n ALA 20 N -3.34 -0.38 0.16 0.58 0.00 -1.26 0.27 120.51 116.54 3i1r n ALA 20 Ca 0.16 0.50 -0.14 0.00 0.00 0.00 0.00 53.44 53.95 3i1r n ALA 20 Cb 0.51 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 3i1r n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1r h SER 21 N 0.00 -0.30 -0.01 0.00 0.87 0.61 -1.51 113.55 113.21 3i1r h SER 21 Ca 0.09 -0.06 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 3i1r h SER 21 Cb 0.24 0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3i1r h SER 21 CO -0.55 -0.13 -0.82 0.71 -0.53 0.00 0.00 176.83 175.51 3i1r h THR 22 N -0.45 1.35 -0.24 2.23 1.35 -0.60 -0.25 112.91 116.29 3i1r h THR 22 Ca -0.04 -2.14 0.03 0.00 -0.55 0.00 0.00 66.41 63.71 3i1r h THR 22 Cb 0.34 2.45 -0.05 0.00 -1.73 0.00 0.00 68.15 69.16 3i1r h THR 22 CO 0.06 0.65 -0.39 0.00 -0.25 0.00 0.00 175.52 175.59 3i1r h ALA 23 N 0.37 -0.67 0.00 6.62 0.00 0.38 0.92 119.26 126.89 3i1r h ALA 23 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i1r h ALA 23 Cb 1.49 0.98 0.00 0.00 0.00 0.00 0.00 17.79 20.26 3i1r h ALA 23 CO 0.16 -0.84 0.00 -0.12 0.00 0.00 0.00 179.25 178.45 3i1r n MET 24 N -4.57 0.51 -0.04 0.00 1.56 -0.57 -0.87 117.12 113.14 3i1r n MET 24 Ca -0.03 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.35 3i1r n MET 24 Cb 0.24 -1.17 -0.05 0.00 2.15 0.00 0.00 33.22 34.39 3i1r n MET 24 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 3i1r n GLU 25 N 0.01 1.33 -1.37 2.12 4.07 0.23 -3.98 120.64 123.05 3i1r n GLU 25 Ca 0.00 0.03 -0.37 0.00 -0.06 0.00 0.00 57.16 56.76 3i1r n GLU 25 Cb 0.09 -1.18 -0.04 0.00 -0.06 0.00 0.00 31.44 30.25 3i1r n GLU 25 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3i1r n LYS 26 N -2.55 3.66 0.00 5.31 4.76 0.25 -3.55 118.16 126.05 3i1r n LYS 26 Ca -0.14 -2.25 0.00 0.00 -2.87 0.00 0.00 58.31 53.05 3i1r n LYS 26 Cb 0.69 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 3i1r n LYS 26 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1r n SER 27 N 3.24 0.00 -0.10 4.39 2.88 -1.24 -4.95 113.62 117.85 3i1r n SER 27 Ca 0.74 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.28 3i1r n SER 27 Cb 0.29 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3i1r n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3i1r n ASN 28 N 0.00 -0.59 -1.24 -3.46 0.23 -1.23 -4.73 115.26 104.24 3i1r n ASN 28 Ca 0.00 0.04 0.03 0.00 -0.53 0.00 0.00 54.58 54.13 3i1r n ASN 28 Cb 0.00 -0.27 -0.02 0.00 -2.08 0.00 0.00 39.78 37.42 3i1r n ASN 28 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 3i1r n THR 29 N -0.38 -1.29 -3.75 5.53 5.66 -1.26 -3.34 114.28 115.45 3i1r n THR 29 Ca 0.00 0.74 -0.13 0.00 -3.05 0.00 0.00 64.05 61.61 3i1r n THR 29 Cb 0.02 -1.20 -0.10 0.00 -1.55 0.00 0.00 70.33 67.50 3i1r n THR 29 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3i1r s ILE 30 N -4.76 0.02 0.01 1.09 2.07 -1.26 -3.77 121.20 114.60 3i1r s ILE 30 Ca 0.00 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.11 3i1r s ILE 30 Cb 0.00 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.03 3i1r s ILE 30 CO 0.00 -0.09 -0.12 0.54 -1.91 0.00 0.00 174.94 173.36 3i1r s VAL 31 N -0.35 0.92 -0.25 4.00 0.11 -1.26 0.23 120.40 123.80 3i1r s VAL 31 Ca -0.05 -0.67 -0.26 0.00 -2.93 0.00 0.00 61.98 58.07 3i1r s VAL 31 Cb -0.03 -0.80 0.13 0.00 -1.53 0.00 0.00 36.38 34.14 3i1r s VAL 31 CO 0.02 0.13 1.04 -1.48 -3.33 0.00 0.00 175.10 171.47 3i1r s LEU 32 N -0.62 -0.41 0.06 2.54 2.34 -1.26 -2.32 118.68 119.01 3i1r s LEU 32 Ca 0.02 0.71 -0.34 0.00 0.06 0.00 0.00 54.13 54.59 3i1r s LEU 32 Cb -0.06 1.85 -0.13 0.00 -0.56 0.00 0.00 46.19 47.29 3i1r s LEU 32 CO 0.00 -0.20 1.72 1.17 -1.06 0.00 0.00 176.35 177.98 3i1r n LYS 33 N 1.78 2.22 -3.53 1.48 4.81 0.35 -2.85 118.16 122.41 3i1r n LYS 33 Ca -0.12 0.81 -0.22 0.00 -0.87 0.00 0.00 58.31 57.91 3i1r n LYS 33 Cb 0.56 -2.62 -0.14 0.00 0.02 0.00 0.00 35.03 32.86 3i1r n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i1r s VAL 34 N 2.32 -0.22 0.00 3.15 -7.23 -0.96 -1.31 120.40 116.14 3i1r s VAL 34 Ca 0.85 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 3i1r s VAL 34 Cb -0.67 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 35.56 3i1r s VAL 34 CO 0.43 -0.32 0.00 0.00 -0.31 0.00 0.00 175.10 174.90 3i1r n ALA 35 N 5.30 0.00 -0.71 1.32 0.00 -0.78 -4.31 120.51 121.33 3i1r n ALA 35 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i1r n ALA 35 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3i1r n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1r n LYS 36 N 4.14 0.14 -0.01 0.00 0.00 -1.26 -3.71 118.16 117.46 3i1r n LYS 36 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 3i1r n LYS 36 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 35.03 35.02 3i1r n LYS 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i1r n ASP 37 N 0.00 0.22 -0.06 3.14 10.43 -1.26 -4.94 116.55 124.07 3i1r n ASP 37 Ca 0.00 0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.44 3i1r n ASP 37 Cb 0.00 -0.53 0.00 0.00 1.84 0.00 0.00 41.12 42.43 3i1r n ASP 37 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1r n ALA 38 N -2.67 0.00 -1.04 2.24 0.00 -1.26 -4.86 120.51 112.93 3i1r n ALA 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1r n ALA 38 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3i1r n ALA 38 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1r n THR 39 N -0.13 0.00 0.00 0.00 -1.04 -1.26 -4.82 114.28 107.03 3i1r n THR 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i1r n THR 39 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i1r n THR 39 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3i1r n LYS 40 N 0.00 0.00 -0.11 -2.82 5.02 -1.26 -3.85 118.16 115.14 3i1r n LYS 40 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3i1r n LYS 40 Cb 0.21 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.21 3i1r n LYS 40 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1r h ALA 41 N 0.00 -0.08 -0.15 7.82 0.00 -1.94 1.84 119.26 126.74 3i1r h ALA 41 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i1r h ALA 41 Cb 0.00 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3i1r h ALA 41 CO 0.00 -0.66 -0.05 1.49 0.00 0.00 0.00 179.25 180.02 3i1r h GLU 42 N -0.21 -0.02 0.00 0.00 4.81 -1.88 -1.28 114.58 115.99 3i1r h GLU 42 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3i1r h GLU 42 Cb 0.50 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3i1r h GLU 42 CO -0.50 -0.02 0.00 0.97 -0.73 0.00 0.00 179.01 178.73 3i1r h ILE 43 N -0.03 0.00 0.29 2.32 2.10 -1.70 -2.89 117.51 117.60 3i1r h ILE 43 Ca 0.08 -0.41 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 3i1r h ILE 43 Cb 0.14 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.15 3i1r h ILE 43 CO -0.17 0.00 -0.14 0.50 -1.08 0.00 0.00 178.15 177.26 3i1r h LYS 44 N 0.00 -0.38 -0.94 2.19 3.64 0.39 -2.97 116.57 118.51 3i1r h LYS 44 Ca 0.00 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.62 3i1r h LYS 44 Cb 0.51 0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 32.23 3i1r h LYS 44 CO 0.00 -0.25 -0.13 0.00 -2.27 0.00 0.00 179.45 176.80 3i1r h ALA 45 N -1.36 0.82 -0.44 5.00 0.00 -1.36 0.20 119.26 122.12 3i1r h ALA 45 Ca -0.04 0.35 0.08 0.00 0.00 0.00 0.00 54.91 55.30 3i1r h ALA 45 Cb 0.30 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3i1r h ALA 45 CO 0.07 -0.45 0.05 0.00 0.00 0.00 0.00 179.25 178.92 3i1r h ALA 46 N 1.94 0.46 0.00 0.00 0.00 -1.57 0.17 119.26 120.26 3i1r h ALA 46 Ca 0.50 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.46 3i1r h ALA 46 Cb 0.88 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3i1r h ALA 46 CO -0.93 -0.35 -0.27 0.28 0.00 0.00 0.00 179.25 177.98 3i1r h VAL 47 N 0.18 0.74 0.00 0.00 2.07 -0.71 -2.90 116.25 115.62 3i1r h VAL 47 Ca 0.22 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3i1r h VAL 47 Cb 0.30 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3i1r h VAL 47 CO -0.32 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.54 3i1r n GLN 48 N -3.56 0.00 0.00 1.57 1.13 0.47 -3.54 117.38 113.45 3i1r n GLN 48 Ca -0.01 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 3i1r n GLN 48 Cb 0.42 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.73 3i1r n GLN 48 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3i1r n LYS 49 N -1.02 0.00 -1.47 -1.09 4.76 -0.41 -1.90 118.16 117.03 3i1r n LYS 49 Ca 0.00 0.22 -0.36 0.00 -2.87 0.00 0.00 58.31 55.30 3i1r n LYS 49 Cb 0.00 -0.96 0.09 0.00 -1.84 0.00 0.00 35.03 32.31 3i1r n LYS 49 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i1r n LEU 50 N -0.68 4.71 0.00 -0.35 4.32 -1.09 -2.23 117.00 121.67 3i1r n LEU 50 Ca 0.00 0.72 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 3i1r n LEU 50 Cb 0.00 -1.49 0.00 0.00 -1.62 0.00 0.00 43.42 40.31 3i1r n LEU 50 CO 0.00 -1.55 0.00 0.49 -1.22 0.00 0.00 177.39 175.11 3i1r n PHE 51 N -2.39 0.00 -3.73 -1.77 3.01 -1.26 -4.34 117.46 106.98 3i1r n PHE 51 Ca 0.14 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.37 3i1r n PHE 51 Cb 0.49 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.97 3i1r n PHE 51 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3i1r n GLU 52 N -0.92 -4.00 -2.37 -1.08 0.28 -0.80 -4.85 120.64 106.90 3i1r n GLU 52 Ca 0.00 0.57 -0.04 0.00 -0.16 0.00 0.00 57.16 57.53 3i1r n GLU 52 Cb 0.00 -4.94 -0.01 0.00 1.43 0.00 0.00 31.44 27.92 3i1r n GLU 52 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i1r n VAL 53 N -4.24 0.00 -0.11 3.84 0.24 -1.24 -4.98 118.33 111.85 3i1r n VAL 53 Ca -0.27 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.34 61.46 3i1r n VAL 53 Cb 0.67 0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 3i1r n VAL 53 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1r n GLU 54 N -0.14 0.56 -1.47 7.34 -0.58 -1.26 -4.60 120.64 120.48 3i1r n GLU 54 Ca -0.01 0.49 -0.01 0.00 -0.42 0.00 0.00 57.16 57.22 3i1r n GLU 54 Cb 0.09 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.28 3i1r n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3i1r n VAL 55 N -4.41 -4.84 -0.00 2.62 0.31 -1.26 -4.80 118.33 105.95 3i1r n VAL 55 Ca -0.34 0.69 -0.17 0.00 -0.01 0.00 0.00 64.34 64.50 3i1r n VAL 55 Cb 0.68 -3.89 -0.14 0.00 -0.91 0.00 0.00 33.84 29.59 3i1r n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i1r h GLU 56 N 0.95 0.17 -1.13 5.55 4.81 -1.44 -3.41 114.58 120.07 3i1r h GLU 56 Ca -0.05 -0.29 0.18 0.00 -0.13 0.00 0.00 59.36 59.07 3i1r h GLU 56 Cb 0.11 0.11 -0.32 0.00 0.63 0.00 0.00 28.75 29.28 3i1r h GLU 56 CO 0.00 1.13 0.84 0.54 -0.73 0.00 0.00 179.01 180.79 3i1r s VAL 57 N -2.35 0.00 -0.09 0.32 0.11 -1.24 -4.98 120.40 112.16 3i1r s VAL 57 Ca -0.16 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.89 3i1r s VAL 57 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3i1r s VAL 57 CO 0.77 0.00 -0.07 0.54 -3.33 0.00 0.00 175.10 173.01 3i1r s VAL 58 N 0.02 3.67 -0.11 2.04 0.11 -1.25 -4.20 120.40 120.67 3i1r s VAL 58 Ca 0.07 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3i1r s VAL 58 Cb -0.05 -2.53 -0.02 0.00 -1.53 0.00 0.00 36.38 32.26 3i1r s VAL 58 CO -0.14 0.57 -0.12 0.20 -3.33 0.00 0.00 175.10 172.27 3i1r s ASN 59 N -0.46 4.10 0.32 3.54 -0.87 -0.77 -4.95 114.94 115.86 3i1r s ASN 59 Ca 0.07 -0.27 0.08 0.00 -1.57 0.00 0.00 52.86 51.16 3i1r s ASN 59 Cb -0.12 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.25 39.61 3i1r s ASN 59 CO 0.02 0.21 0.18 0.42 -2.57 0.00 0.00 177.10 175.36 3i1r s THR 60 N 0.10 3.38 -0.09 1.60 -4.23 -1.26 -4.15 115.64 110.99 3i1r s THR 60 Ca -0.05 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 58.58 3i1r s THR 60 Cb -0.15 -3.08 0.10 0.00 1.34 0.00 0.00 72.50 70.72 3i1r s THR 60 CO 0.04 -0.22 0.85 -1.48 -0.54 0.00 0.00 174.62 173.28 3i1r s LEU 61 N -3.88 -0.49 -0.14 4.79 0.05 -1.23 -4.98 118.68 112.80 3i1r s LEU 61 Ca 0.38 0.46 -0.05 0.00 0.05 0.00 0.00 54.13 54.97 3i1r s LEU 61 Cb -0.04 2.17 -0.04 0.00 -2.05 0.00 0.00 46.19 46.23 3i1r s LEU 61 CO 0.24 -0.50 0.04 -0.69 -0.55 0.00 0.00 176.35 174.89 3i1r s VAL 62 N -1.47 4.64 -0.22 1.48 1.01 -1.26 0.32 120.40 124.89 3i1r s VAL 62 Ca -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3i1r s VAL 62 Cb -0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3i1r s VAL 62 CO 0.03 0.54 0.08 -0.69 0.00 0.00 0.00 175.10 175.06 3i1r s VAL 63 N -0.25 4.66 -0.11 2.92 1.01 0.77 -4.96 120.40 124.44 3i1r s VAL 63 Ca 0.07 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.73 3i1r s VAL 63 Cb -0.12 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 3i1r s VAL 63 CO 0.02 0.38 0.82 -0.54 0.00 0.00 0.00 175.10 175.78 3i1r s LYS 64 N 1.08 4.38 0.24 2.72 3.01 -1.26 -2.29 119.74 127.61 3i1r s LYS 64 Ca 0.05 1.05 -0.30 0.00 -1.01 0.00 0.00 55.97 55.76 3i1r s LYS 64 Cb -0.14 -3.52 -0.10 0.00 -1.01 0.00 0.00 37.83 33.06 3i1r s LYS 64 CO 0.03 -0.18 1.44 0.20 0.51 0.00 0.00 175.35 177.35 3i1r s GLY 65 N 1.03 2.27 0.38 -3.33 0.00 -1.25 -4.98 107.32 101.45 3i1r s GLY 65 Ca 0.40 1.31 -0.26 0.00 0.00 0.00 0.00 44.72 46.17 3i1r s GLY 65 CO 0.16 2.29 1.22 0.54 0.00 0.00 0.00 173.10 177.32 3i1r s LYS 66 N -0.23 4.14 0.10 2.90 1.02 -1.26 -4.52 119.74 121.88 3i1r s LYS 66 Ca 0.60 1.99 0.06 0.00 0.02 0.00 0.00 55.97 58.64 3i1r s LYS 66 Cb -0.42 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3i1r s LYS 66 CO 0.42 -0.29 -0.07 0.14 -0.92 0.00 0.00 175.35 174.63 3i1r s VAL 67 N -1.30 3.59 0.00 3.17 -7.23 -1.26 -1.82 120.40 115.55 3i1r s VAL 67 Ca 0.54 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3i1r s VAL 67 Cb -0.34 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3i1r s VAL 67 CO 0.44 0.12 0.00 2.29 -0.31 0.00 0.00 175.10 177.65 3i1r n LYS 68 N 0.69 0.00 0.00 4.82 0.00 0.87 -4.98 118.16 119.57 3i1r n LYS 68 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 3i1r n LYS 68 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 3i1r n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i1r n ARG 69 N 0.00 0.00 -0.13 -1.58 0.00 -1.26 -3.50 116.66 110.18 3i1r n ARG 69 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 3i1r n ARG 69 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i1r n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1r n HIS 70 N 0.00 -1.79 0.00 -0.14 8.25 -1.26 -4.63 115.22 115.66 3i1r n HIS 70 Ca 0.00 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 3i1r n HIS 70 Cb 0.00 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.83 3i1r n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1r n GLY 71 N -0.62 -0.05 0.11 -1.41 0.00 -1.26 -4.80 105.19 97.15 3i1r n GLY 71 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3i1r n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i1r h GLN 72 N 0.00 0.20 -7.82 1.61 4.20 -2.00 -3.47 115.11 107.82 3i1r h GLN 72 Ca 0.00 -0.34 -0.44 0.00 0.06 0.00 0.00 58.65 57.93 3i1r h GLN 72 Cb 0.00 0.13 0.17 0.00 0.30 0.00 0.00 27.48 28.08 3i1r h GLN 72 CO 0.00 1.04 0.41 1.03 -0.67 0.00 0.00 178.83 180.64 3i1r s ARG 73 N -2.62 0.40 -0.03 1.46 1.81 -1.26 -5.10 118.95 113.61 3i1r s ARG 73 Ca -0.08 -0.59 -0.14 0.00 -1.72 0.00 0.00 55.73 53.20 3i1r s ARG 73 Cb 0.07 -1.86 0.02 0.00 -0.45 0.00 0.00 34.95 32.74 3i1r s ARG 73 CO 0.84 -2.54 0.31 0.42 -0.68 0.00 0.00 175.30 173.65 3i1r s ILE 74 N -3.91 0.05 0.04 1.52 1.01 -1.26 -4.44 121.20 114.22 3i1r s ILE 74 Ca 0.76 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 61.05 3i1r s ILE 74 Cb -0.02 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3i1r s ILE 74 CO 0.53 -0.23 -0.18 -0.83 0.00 0.00 0.00 174.94 174.23 3i1r s GLY 75 N -1.17 0.99 -0.02 6.18 0.00 -1.23 -4.98 107.32 107.09 3i1r s GLY 75 Ca -0.12 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.68 3i1r s GLY 75 CO 0.04 -0.91 -0.17 -1.60 0.00 0.00 0.00 173.10 170.45 3i1r s ARG 76 N -1.17 1.51 0.52 2.90 3.52 -1.26 -0.09 118.95 124.87 3i1r s ARG 76 Ca 0.05 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 54.97 3i1r s ARG 76 Cb -0.08 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.86 3i1r s ARG 76 CO 0.02 0.33 0.86 1.03 -0.81 0.00 0.00 175.30 176.72 3i1r s ARG 77 N -0.25 3.59 0.79 5.12 0.52 -0.75 -5.00 118.95 122.96 3i1r s ARG 77 Ca 0.03 0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 55.52 3i1r s ARG 77 Cb -0.08 -2.29 0.07 0.00 0.52 0.00 0.00 34.95 33.17 3i1r s ARG 77 CO 0.00 -0.30 1.09 -1.12 0.02 0.00 0.00 175.30 174.99 3i1r s SER 78 N -4.03 4.50 0.27 0.23 0.01 -1.26 -4.16 113.70 109.25 3i1r s SER 78 Ca 0.50 1.44 0.00 0.00 1.31 0.00 0.00 55.95 59.20 3i1r s SER 78 Cb -0.10 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3i1r s SER 78 CO 0.46 -1.98 0.46 -1.81 0.41 0.00 0.00 173.24 170.77 3i1r s ASP 79 N -3.76 6.35 0.16 2.44 1.01 -1.26 -3.83 116.67 117.78 3i1r s ASP 79 Ca 0.61 0.39 -0.14 0.00 0.71 0.00 0.00 52.55 54.12 3i1r s ASP 79 Cb -0.15 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.79 3i1r s ASP 79 CO 0.55 -0.15 0.41 -1.66 0.21 0.00 0.00 175.17 174.52 3i1r s TRP 80 N -2.07 0.03 -0.06 4.23 1.48 -0.97 -4.98 118.94 116.61 3i1r s TRP 80 Ca 0.39 -0.38 -0.16 0.00 -1.06 0.00 0.00 56.10 54.89 3i1r s TRP 80 Cb -0.10 0.20 -0.05 0.00 -1.16 0.00 0.00 33.47 32.36 3i1r s TRP 80 CO 0.32 -0.79 0.41 0.15 -4.06 0.00 0.00 176.95 172.97 3i1r s LYS 81 N -3.89 4.10 0.16 3.25 1.02 -1.24 -0.16 119.74 122.97 3i1r s LYS 81 Ca 0.10 0.36 0.03 0.00 0.02 0.00 0.00 55.97 56.48 3i1r s LYS 81 Cb 0.01 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3i1r s LYS 81 CO -0.04 0.45 0.28 0.21 -0.92 0.00 0.00 175.35 175.33 3i1r s LYS 82 N -0.30 3.41 0.00 1.68 2.20 0.15 -2.25 119.74 124.63 3i1r s LYS 82 Ca 0.23 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3i1r s LYS 82 Cb -0.16 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 3i1r s LYS 82 CO 0.11 0.51 0.00 0.00 -0.36 0.00 0.00 175.35 175.61 3i1r n ALA 83 N -0.60 0.00 -2.38 3.13 0.00 -1.13 -3.51 120.51 116.02 3i1r n ALA 83 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 3i1r n ALA 83 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3i1r n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1r n TYR 84 N -1.10 -4.33 0.00 0.00 0.53 -1.17 -3.78 117.16 107.31 3i1r n TYR 84 Ca 0.00 2.55 0.00 0.00 -1.02 0.00 0.00 57.90 59.43 3i1r n TYR 84 Cb 0.00 -3.74 0.00 0.00 -1.03 0.00 0.00 39.34 34.57 3i1r n TYR 84 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 3i1r n VAL 85 N 1.64 0.00 -1.66 -0.72 0.31 0.14 -1.85 118.33 116.18 3i1r n VAL 85 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3i1r n VAL 85 Cb 0.32 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3i1r n VAL 85 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3i1r n THR 86 N -2.54 -7.61 -4.05 2.52 -2.24 -1.26 -3.63 114.28 95.46 3i1r n THR 86 Ca 0.00 2.48 -0.32 0.00 -2.27 0.00 0.00 64.05 63.94 3i1r n THR 86 Cb 0.42 -3.81 -0.15 0.00 -2.10 0.00 0.00 70.33 64.69 3i1r n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i1r s LEU 87 N -1.30 3.65 0.00 3.22 1.43 -1.26 -1.44 118.68 122.98 3i1r s LEU 87 Ca 0.00 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.57 3i1r s LEU 87 Cb 0.00 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3i1r s LEU 87 CO 0.00 -0.23 0.00 0.29 0.23 0.00 0.00 176.35 176.64 3i1r n LYS 88 N 4.41 0.00 0.20 1.70 4.76 -1.26 -4.43 118.16 123.53 3i1r n LYS 88 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3i1r n LYS 88 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 3i1r n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i1r n GLU 89 N 0.00 0.00 -2.05 1.97 -0.58 -1.26 -4.89 120.64 113.83 3i1r n GLU 89 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 3i1r n GLU 89 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3i1r n GLU 89 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i1r s GLY 90 N -3.06 0.12 0.06 0.62 0.00 -1.26 -4.92 107.32 98.87 3i1r s GLY 90 Ca 0.00 -2.11 -0.31 0.00 0.00 0.00 0.00 44.72 42.30 3i1r s GLY 90 CO 0.00 3.58 1.22 1.20 0.00 0.00 0.00 173.10 179.10 3i1r s GLN 91 N 6.56 4.42 0.00 2.90 -0.21 -1.26 -4.93 119.66 127.13 3i1r s GLN 91 Ca 0.69 1.79 0.00 0.00 0.02 0.00 0.00 55.36 57.86 3i1r s GLN 91 Cb -0.01 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3i1r s GLN 91 CO 0.13 -0.29 0.00 0.09 -2.12 0.00 0.00 175.29 173.10 3i1r n ASN 92 N 4.04 0.00 -0.25 5.90 4.13 -1.26 -5.20 115.26 122.62 3i1r n ASN 92 Ca 0.09 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.50 3i1r n ASN 92 Cb 0.46 0.00 0.73 0.00 -1.54 0.00 0.00 39.78 39.43 3i1r n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72