#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n LYS 2 N 0.00 0.00 0.29 0.03 4.01 -1.26 -4.78 118.16 116.46 3i1r n LYS 2 Ca 0.00 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 57.99 3i1r n LYS 2 Cb 0.00 0.00 0.87 0.00 -0.51 0.00 0.00 35.03 35.39 3i1r n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1r h ALA 3 N 0.00 1.00 -0.01 7.82 0.00 -2.02 -0.13 119.26 125.92 3i1r h ALA 3 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i1r h ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i1r h ALA 3 CO 0.00 0.00 -0.07 -0.22 0.00 0.00 0.00 179.25 178.96 3i1r h LYS 4 N 0.00 0.06 0.08 0.00 3.64 -1.94 -3.36 116.57 115.04 3i1r h LYS 4 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3i1r h LYS 4 Cb 0.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3i1r h LYS 4 CO 0.00 0.79 -0.04 0.93 -2.27 0.00 0.00 179.45 178.86 3i1r h GLU 5 N -0.65 -0.10 -6.02 1.90 5.08 -1.80 -3.43 114.58 109.57 3i1r h GLU 5 Ca -0.01 0.01 -0.83 0.00 -1.00 0.00 0.00 59.36 57.53 3i1r h GLU 5 Cb 0.81 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3i1r h GLU 5 CO 0.01 0.43 0.87 -0.11 -1.00 0.00 0.00 179.01 179.22 3i1r n LEU 6 N -4.86 1.30 -1.90 1.33 7.94 -0.09 -2.05 117.00 118.68 3i1r n LEU 6 Ca -0.08 1.04 -0.02 0.00 -1.11 0.00 0.00 56.01 55.84 3i1r n LEU 6 Cb 0.29 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.31 3i1r n LEU 6 CO 0.30 -0.77 0.04 -1.14 -1.11 0.00 0.00 177.39 174.71 3i1r n ARG 7 N 5.05 -0.60 -0.44 1.96 3.00 -1.26 -4.87 116.66 119.50 3i1r n ARG 7 Ca 0.36 0.91 -0.01 0.00 -0.00 0.00 0.00 57.85 59.11 3i1r n ARG 7 Cb -0.02 -2.69 -0.01 0.00 0.00 0.00 0.00 32.46 29.74 3i1r n ARG 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3i1r n GLU 8 N -0.65 0.00 0.00 -0.14 4.07 -0.87 -5.00 120.64 118.05 3i1r n GLU 8 Ca 0.03 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3i1r n GLU 8 Cb 0.23 0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.67 3i1r n GLU 8 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i1r n LYS 9 N 0.00 0.00 0.19 5.31 3.00 -1.26 -4.06 118.16 121.35 3i1r n LYS 9 Ca -0.03 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.41 3i1r n LYS 9 Cb 0.41 0.00 0.27 0.00 0.00 0.00 0.00 35.03 35.71 3i1r n LYS 9 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 3i1r h SER 10 N 0.00 0.00 0.02 3.14 0.02 -1.99 -1.61 113.55 113.13 3i1r h SER 10 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 3i1r h SER 10 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3i1r h SER 10 CO 0.00 0.00 -1.58 0.52 -1.14 0.00 0.00 176.83 174.63 3i1r n VAL 11 N -2.87 1.57 -0.19 2.27 0.31 -1.26 -3.19 118.33 114.96 3i1r n VAL 11 Ca 0.04 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.07 3i1r n VAL 11 Cb 0.48 -1.97 -0.10 0.00 -0.91 0.00 0.00 33.84 31.35 3i1r n VAL 11 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i1r h GLU 12 N -0.84 -0.28 -0.95 5.55 4.39 -1.78 -2.27 114.58 118.39 3i1r h GLU 12 Ca -0.42 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.38 3i1r h GLU 12 Cb 1.46 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.10 3i1r h GLU 12 CO -0.20 -0.19 0.60 1.49 -1.16 0.00 0.00 179.01 179.55 3i1r h GLU 13 N -0.29 1.03 0.00 2.33 4.81 -1.43 0.42 114.58 121.45 3i1r h GLU 13 Ca 0.09 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i1r h GLU 13 Cb 0.53 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3i1r h GLU 13 CO -0.64 0.68 0.02 -0.11 -0.73 0.00 0.00 179.01 178.23 3i1r n LEU 14 N -4.58 0.00 -0.11 1.64 -0.00 -0.86 -1.86 117.00 111.22 3i1r n LEU 14 Ca 0.15 0.36 -0.21 0.00 -0.00 0.00 0.00 56.01 56.31 3i1r n LEU 14 Cb 0.22 -0.36 -0.12 0.00 -0.00 0.00 0.00 43.42 43.16 3i1r n LEU 14 CO 0.30 -0.36 -1.27 0.59 -0.00 0.00 0.00 177.39 176.65 3i1r n ASN 15 N -1.36 1.99 -0.10 1.96 5.03 0.15 -2.77 115.26 120.16 3i1r n ASN 15 Ca 0.00 0.02 -0.09 0.00 0.87 0.00 0.00 54.58 55.38 3i1r n ASN 15 Cb 0.02 -0.57 -0.01 0.00 -1.02 0.00 0.00 39.78 38.20 3i1r n ASN 15 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3i1r h THR 16 N -0.23 1.12 0.00 3.41 2.02 -1.39 0.88 112.91 118.72 3i1r h THR 16 Ca -0.58 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3i1r h THR 16 Cb 1.84 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 3i1r h THR 16 CO -0.14 0.12 0.00 1.21 0.37 0.00 0.00 175.52 177.08 3i1r n GLU 17 N -4.81 0.00 -0.26 6.66 4.07 -0.78 0.14 120.64 125.67 3i1r n GLU 17 Ca -0.01 0.90 0.16 0.00 -0.06 0.00 0.00 57.16 58.15 3i1r n GLU 17 Cb 0.06 -1.44 0.45 0.00 -0.06 0.00 0.00 31.44 30.45 3i1r n GLU 17 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i1r h LEU 18 N 0.00 0.53 -0.15 4.31 7.12 -1.28 0.97 115.31 126.81 3i1r h LEU 18 Ca 0.00 0.05 -0.09 0.00 0.13 0.00 0.00 57.88 57.97 3i1r h LEU 18 Cb 0.00 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.08 3i1r h LEU 18 CO 0.00 0.23 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.23 3i1r h LEU 19 N 0.54 0.48 -0.01 2.25 4.07 0.30 0.42 115.31 123.35 3i1r h LEU 19 Ca 0.47 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3i1r h LEU 19 Cb 0.97 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 3i1r h LEU 19 CO -0.21 0.91 -0.02 0.78 -1.08 0.00 0.00 178.44 178.82 3i1r h ASN 20 N 0.06 -0.08 -0.30 -0.43 -0.26 0.38 0.70 115.58 115.66 3i1r h ASN 20 Ca 0.01 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.80 3i1r h ASN 20 Cb 0.81 0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 38.04 3i1r h ASN 20 CO 0.05 -0.02 -0.39 -0.07 -1.06 0.00 0.00 177.43 175.95 3i1r h LEU 21 N -0.02 -1.31 0.00 1.61 3.38 -1.50 0.84 115.31 118.31 3i1r h LEU 21 Ca 0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i1r h LEU 21 Cb 0.03 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3i1r h LEU 21 CO -0.02 -0.28 0.00 -0.11 0.09 0.00 0.00 178.44 178.12 3i1r n LEU 22 N -4.56 0.00 0.00 1.67 7.94 0.15 -1.90 117.00 120.29 3i1r n LEU 22 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3i1r n LEU 22 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 3i1r n LEU 22 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.82 3i1r n ARG 23 N 0.00 0.00 0.00 1.96 5.12 0.23 -3.61 116.66 120.36 3i1r n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1r n ARG 23 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1r n ARG 23 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3i1r n GLU 24 N 0.00 0.00 0.00 5.56 -0.58 -1.09 -1.45 120.64 123.08 3i1r n GLU 24 Ca 0.00 0.25 0.02 0.00 -0.42 0.00 0.00 57.16 57.01 3i1r n GLU 24 Cb 0.00 -0.42 0.09 0.00 -0.57 0.00 0.00 31.44 30.54 3i1r n GLU 24 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3i1r n GLN 25 N -1.35 0.04 -0.10 3.49 7.27 0.27 0.40 117.38 127.40 3i1r n GLN 25 Ca 0.00 0.30 -0.20 0.00 0.07 0.00 0.00 57.00 57.17 3i1r n GLN 25 Cb 0.00 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.08 3i1r n GLN 25 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i1r n PHE 26 N -1.35 0.00 -0.15 3.69 -0.00 -0.53 -4.09 117.46 115.03 3i1r n PHE 26 Ca 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.38 3i1r n PHE 26 Cb 0.04 -0.70 0.00 0.00 -0.00 0.00 0.00 39.48 38.82 3i1r n PHE 26 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3i1r h ASN 27 N -0.66 0.59 -0.55 -2.13 -0.26 -0.72 0.26 115.58 112.11 3i1r h ASN 27 Ca -0.49 -0.14 0.10 0.00 -0.56 0.00 0.00 56.30 55.21 3i1r h ASN 27 Cb 1.44 -0.15 -0.08 0.00 -1.06 0.00 0.00 38.32 38.47 3i1r h ASN 27 CO -0.29 0.56 0.10 -0.07 -1.06 0.00 0.00 177.43 176.67 3i1r h LEU 28 N 0.58 -0.04 -0.42 1.61 3.38 -0.26 0.72 115.31 120.88 3i1r h LEU 28 Ca 0.15 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3i1r h LEU 28 Cb 0.14 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3i1r h LEU 28 CO -0.02 0.00 0.27 -0.09 0.09 0.00 0.00 178.44 178.70 3i1r h ARG 29 N 0.23 0.54 -0.29 1.13 2.43 -1.45 0.41 114.38 117.38 3i1r h ARG 29 Ca 0.28 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 3i1r h ARG 29 Cb 0.41 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3i1r h ARG 29 CO -0.38 0.36 -0.26 0.52 -1.51 0.00 0.00 179.97 178.70 3i1r h MET 30 N 0.56 0.56 0.10 0.20 2.86 0.10 -1.10 114.93 118.21 3i1r h MET 30 Ca 0.16 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3i1r h MET 30 Cb -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3i1r h MET 30 CO -0.04 0.78 -0.05 0.37 1.06 0.00 0.00 176.91 179.03 3i1r h GLN 31 N 0.49 -0.13 0.26 1.72 4.15 0.69 -2.78 115.11 119.53 3i1r h GLN 31 Ca 0.07 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3i1r h GLN 31 Cb 0.71 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.39 3i1r h GLN 31 CO 0.05 0.39 -0.46 0.00 -1.93 0.00 0.00 178.83 176.89 3i1r h ALA 32 N -0.19 -0.91 -0.34 3.38 0.00 -0.93 -1.46 119.26 118.82 3i1r h ALA 32 Ca -0.01 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.87 3i1r h ALA 32 Cb 0.58 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3i1r h ALA 32 CO 0.02 -1.07 0.35 0.00 0.00 0.00 0.00 179.25 178.55 3i1r h ALA 33 N -0.46 2.05 -0.60 0.00 0.00 -1.31 -1.93 119.26 117.01 3i1r h ALA 33 Ca -0.01 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.49 3i1r h ALA 33 Cb 0.75 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.39 3i1r h ALA 33 CO -0.18 -0.52 0.51 -1.13 0.00 0.00 0.00 179.25 177.94 3i1r n SER 34 N -3.83 6.46 0.00 0.00 3.41 -0.57 -4.82 113.62 114.27 3i1r n SER 34 Ca 0.05 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.45 3i1r n SER 34 Cb 0.51 -1.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 3i1r n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1r n GLY 35 N 0.00 1.22 0.00 5.00 0.00 -0.73 -4.90 105.19 105.78 3i1r n GLY 35 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3i1r n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1r n GLN 36 N -2.00 3.86 -2.31 1.61 6.02 -1.08 -5.01 117.38 118.47 3i1r n GLN 36 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3i1r n GLN 36 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3i1r n GLN 36 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i1r n LEU 37 N 0.00 -5.86 -0.01 1.08 0.00 -1.26 -4.33 117.00 106.62 3i1r n LEU 37 Ca 0.00 2.29 -0.17 0.00 0.00 0.00 0.00 56.01 58.13 3i1r n LEU 37 Cb 0.00 -2.99 -0.14 0.00 0.00 0.00 0.00 43.42 40.29 3i1r n LEU 37 CO 0.00 -3.03 0.23 1.56 0.00 0.00 0.00 177.39 176.14 3i1r h GLN 38 N 3.66 0.16 -4.32 1.96 7.50 -1.97 -3.43 115.11 118.68 3i1r h GLN 38 Ca -0.24 -0.26 -0.75 0.00 0.50 0.00 0.00 58.65 57.91 3i1r h GLN 38 Cb 0.54 0.09 -0.23 0.00 0.05 0.00 0.00 27.48 27.94 3i1r h GLN 38 CO 0.00 1.11 0.37 1.14 -1.50 0.00 0.00 178.83 179.95 3i1r s GLN 39 N -2.40 3.57 0.25 1.46 -2.07 -1.26 -4.86 119.66 114.35 3i1r s GLN 39 Ca -0.16 -2.14 -0.04 0.00 -1.82 0.00 0.00 55.36 51.20 3i1r s GLN 39 Cb -0.01 -4.60 0.40 0.00 -1.09 0.00 0.00 33.01 27.71 3i1r s GLN 39 CO 0.76 -1.48 1.82 0.66 -1.32 0.00 0.00 175.29 175.73 3i1r h SER 40 N 8.25 0.75 0.00 12.60 4.64 -1.98 -2.61 113.55 135.20 3i1r h SER 40 Ca 0.10 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3i1r h SER 40 Cb 1.04 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3i1r h SER 40 CO 0.90 0.44 0.70 1.12 -0.87 0.00 0.00 176.83 179.13 3i1r h HIS 41 N 0.86 0.00 0.48 4.77 2.07 -2.00 0.29 115.15 121.63 3i1r h HIS 41 Ca 0.40 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.90 3i1r h HIS 41 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3i1r h HIS 41 CO -0.05 0.00 -0.24 -0.07 -3.07 0.00 0.00 177.93 174.51 3i1r h LEU 42 N 0.00 -0.56 -0.76 6.12 4.07 -1.79 -3.28 115.31 119.11 3i1r h LEU 42 Ca 0.00 0.02 0.17 0.00 0.08 0.00 0.00 57.88 58.15 3i1r h LEU 42 Cb 1.41 0.15 -0.14 0.00 1.08 0.00 0.00 40.66 43.15 3i1r h LEU 42 CO 0.00 -0.40 -0.13 0.18 -1.08 0.00 0.00 178.44 177.01 3i1r n LEU 43 N -3.77 -0.22 0.00 1.67 4.77 0.09 -1.40 117.00 118.14 3i1r n LEU 43 Ca -0.08 1.30 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 3i1r n LEU 43 Cb 0.26 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3i1r n LEU 43 CO 0.20 -1.27 0.33 1.17 -1.33 0.00 0.00 177.39 176.49 3i1r n LYS 44 N -5.18 0.00 -0.51 3.23 3.00 -1.24 -2.44 118.16 115.02 3i1r n LYS 44 Ca 0.14 0.46 -0.29 0.00 -0.00 0.00 0.00 58.31 58.62 3i1r n LYS 44 Cb 0.44 -1.15 0.24 0.00 0.00 0.00 0.00 35.03 34.56 3i1r n LYS 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1r n GLN 45 N -1.36 -2.27 0.00 1.64 10.64 -0.49 -0.63 117.38 124.90 3i1r n GLN 45 Ca 0.00 -0.63 0.00 0.00 -1.83 0.00 0.00 57.00 54.54 3i1r n GLN 45 Cb 0.00 -2.13 0.00 0.00 -0.86 0.00 0.00 30.24 27.25 3i1r n GLN 45 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3i1r n VAL 46 N -4.89 0.00 -0.20 -0.39 0.31 -1.26 -4.23 118.33 107.68 3i1r n VAL 46 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.35 3i1r n VAL 46 Cb 0.55 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.54 3i1r n VAL 46 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i1r h ARG 47 N 0.00 0.01 -0.22 5.55 2.43 -0.96 1.07 114.38 122.26 3i1r h ARG 47 Ca 0.00 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3i1r h ARG 47 Cb 0.00 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i1r h ARG 47 CO 0.00 0.01 -0.26 0.00 -1.51 0.00 0.00 179.97 178.21 3i1r h ARG 48 N 0.01 0.55 0.07 0.20 2.47 -1.05 -2.83 114.38 113.81 3i1r h ARG 48 Ca 0.29 -0.31 0.03 0.00 -1.26 0.00 0.00 59.98 58.73 3i1r h ARG 48 Cb 0.45 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.74 3i1r h ARG 48 CO -0.61 0.90 -0.34 -0.44 0.56 0.00 0.00 179.97 180.04 3i1r h ASP 49 N 0.24 -1.01 -0.98 7.04 3.45 -1.40 0.19 116.42 123.95 3i1r h ASP 49 Ca 0.03 0.12 0.33 0.00 0.43 0.00 0.00 57.03 57.94 3i1r h ASP 49 Cb 0.82 0.39 -0.17 0.00 -0.56 0.00 0.00 39.33 39.81 3i1r h ASP 49 CO 0.06 -0.42 0.29 0.58 -1.57 0.00 0.00 179.24 178.19 3i1r h VAL 50 N -0.54 0.07 -0.14 -1.35 2.07 0.11 0.75 116.25 117.22 3i1r h VAL 50 Ca 0.04 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3i1r h VAL 50 Cb 0.59 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3i1r h VAL 50 CO -0.23 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.25 3i1r h ALA 51 N 1.95 -0.01 -0.59 1.67 0.00 -0.40 -0.72 119.26 121.17 3i1r h ALA 51 Ca 0.70 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.58 3i1r h ALA 51 Cb 1.64 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3i1r h ALA 51 CO -0.80 -0.56 0.05 0.00 0.00 0.00 0.00 179.25 177.93 3i1r h ARG 52 N -0.13 1.01 -0.90 0.00 3.08 0.11 -0.22 114.38 117.33 3i1r h ARG 52 Ca 0.09 -0.30 0.16 0.00 0.07 0.00 0.00 59.98 60.00 3i1r h ARG 52 Cb 0.26 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 3i1r h ARG 52 CO -0.22 0.98 0.58 0.28 -1.07 0.00 0.00 179.97 180.52 3i1r h VAL 53 N 0.91 0.80 0.00 2.04 2.07 -0.38 -0.29 116.25 121.39 3i1r h VAL 53 Ca 0.17 -0.23 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 3i1r h VAL 53 Cb 0.49 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3i1r h VAL 53 CO 0.02 0.12 -1.41 0.11 0.02 0.00 0.00 177.57 176.44 3i1r h LYS 54 N 0.66 0.00 0.79 1.57 1.57 -0.47 -3.36 116.57 117.33 3i1r h LYS 54 Ca 0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.21 3i1r h LYS 54 Cb 0.80 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.12 3i1r h LYS 54 CO -0.22 0.50 -0.38 1.15 -0.57 0.00 0.00 179.45 179.94 3i1r h THR 55 N 0.00 0.00 -3.79 -0.16 2.02 -0.29 -2.59 112.91 108.10 3i1r h THR 55 Ca -0.18 -0.13 -0.55 0.00 0.77 0.00 0.00 66.41 66.32 3i1r h THR 55 Cb 1.79 0.00 0.13 0.00 -1.74 0.00 0.00 68.15 68.32 3i1r h THR 55 CO 0.07 0.00 0.60 0.18 0.37 0.00 0.00 175.52 176.74 3i1r n LEU 56 N -5.19 4.69 0.00 2.58 4.32 -0.19 -1.57 117.00 121.64 3i1r n LEU 56 Ca -0.13 1.10 0.00 0.00 -0.02 0.00 0.00 56.01 56.96 3i1r n LEU 56 Cb 0.42 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.66 3i1r n LEU 56 CO 0.32 -0.42 0.00 -0.11 -1.22 0.00 0.00 177.39 175.96 3i1r n LEU 57 N -0.10 0.00 -1.07 2.23 7.94 -1.26 -4.55 117.00 120.19 3i1r n LEU 57 Ca 0.06 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.07 3i1r n LEU 57 Cb 0.41 0.00 0.20 0.00 0.53 0.00 0.00 43.42 44.56 3i1r n LEU 57 CO 0.59 0.00 0.68 -3.20 -1.11 0.00 0.00 177.39 174.34 3i1r n ASN 58 N 0.40 3.34 0.00 1.96 5.15 -0.91 -2.46 115.26 122.75 3i1r n ASN 58 Ca 0.00 -1.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.03 3i1r n ASN 58 Cb 0.00 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 3i1r n ASN 58 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i1r n GLU 59 N 1.35 2.53 -0.02 1.20 -0.00 -0.61 -4.74 120.64 120.35 3i1r n GLU 59 Ca 0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.18 3i1r n GLU 59 Cb 0.57 -0.75 -0.12 0.00 -0.00 0.00 0.00 31.44 31.14 3i1r n GLU 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3i1r h LYS 60 N 0.00 0.17 -6.99 3.44 3.64 -1.78 -3.34 116.57 111.71 3i1r h LYS 60 Ca 0.00 -0.20 -0.46 0.00 -1.27 0.00 0.00 60.65 58.72 3i1r h LYS 60 Cb 0.00 0.06 0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3i1r h LYS 60 CO 0.00 0.97 0.07 0.00 -2.27 0.00 0.00 179.45 178.22 3i1r s ALA 61 N -2.92 3.55 0.00 5.00 0.00 -1.03 -4.06 121.76 122.31 3i1r s ALA 61 Ca -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3i1r s ALA 61 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3i1r s ALA 61 CO 0.75 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3i1r n GLY 62 N -2.49 0.23 0.00 0.00 0.00 -1.26 -4.60 105.19 97.07 3i1r n GLY 62 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i1r n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32