#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n ARG 2 N 0.00 0.00 -1.26 0.03 0.00 -1.26 -4.96 116.66 109.21 2i2t n ARG 2 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 57.85 57.25 2i2t n ARG 2 Cb 0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 32.46 31.02 2i2t n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2i2t n HIS 3 N -2.00 1.17 -1.25 -0.14 8.25 -1.26 -0.18 115.22 119.82 2i2t n HIS 3 Ca 0.00 0.75 -0.09 0.00 -0.26 0.00 0.00 57.72 58.12 2i2t n HIS 3 Cb 0.00 -2.30 -0.04 0.00 1.12 0.00 0.00 29.99 28.77 2i2t n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2i2t n ARG 4 N 7.53 -0.84 -2.32 -0.41 5.12 -1.26 -5.02 116.66 119.47 2i2t n ARG 4 Ca 0.55 0.75 -0.27 0.00 -1.93 0.00 0.00 57.85 56.95 2i2t n ARG 4 Cb -0.03 -4.68 0.04 0.00 -1.16 0.00 0.00 32.46 26.63 2i2t n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2i2t s LYS 5 N -2.52 2.77 0.11 5.56 1.02 0.75 -5.10 119.74 122.34 2i2t s LYS 5 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 2i2t s LYS 5 Cb 0.00 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2i2t s LYS 5 CO 0.00 -0.83 0.03 0.45 -0.92 0.00 0.00 175.35 174.07 2i2t s SER 6 N -4.35 0.45 0.00 2.83 0.15 -1.26 -5.09 113.70 106.43 2i2t s SER 6 Ca 0.55 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 56.06 2i2t s SER 6 Cb -0.11 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2i2t s SER 6 CO 0.46 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2i2t n GLY 7 N -0.05 -2.90 3.73 9.45 0.00 -1.26 -4.95 105.19 109.20 2i2t n GLY 7 Ca -0.08 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2i2t n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2i2t s ARG 8 N -2.39 4.37 0.00 1.61 0.52 -1.26 -4.89 118.95 116.90 2i2t s ARG 8 Ca 0.00 2.04 0.27 0.00 -0.52 0.00 0.00 55.73 57.53 2i2t s ARG 8 Cb 0.00 -3.22 0.94 0.00 0.52 0.00 0.00 34.95 33.19 2i2t s ARG 8 CO 0.00 -0.32 1.72 0.00 0.02 0.00 0.00 175.30 176.72 2i2t n GLN 9 N 3.20 0.01 0.00 3.54 10.64 -1.26 -5.01 117.38 128.50 2i2t n GLN 9 Ca 0.08 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2i2t n GLN 9 Cb 0.43 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 2i2t n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2i2t n LEU 10 N -1.49 0.00 -3.12 2.61 7.99 -1.26 -3.76 117.00 117.96 2i2t n LEU 10 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.81 2i2t n LEU 10 Cb 0.34 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.59 2i2t n LEU 10 CO 0.30 0.00 0.05 0.59 -1.51 0.00 0.00 177.39 176.82 2i2t n ASN 11 N -2.63 3.54 -1.47 -1.43 5.03 -1.26 -5.06 115.26 111.98 2i2t n ASN 11 Ca 0.00 -3.47 -0.00 0.00 0.87 0.00 0.00 54.58 51.98 2i2t n ASN 11 Cb 0.00 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.16 2i2t n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2i2t n ARG 12 N 0.24 0.07 0.00 3.52 3.00 -1.25 -5.16 116.66 117.09 2i2t n ARG 12 Ca 0.29 -0.20 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2i2t n ARG 12 Cb 0.44 0.30 0.00 0.00 0.00 0.00 0.00 32.46 33.20 2i2t n ARG 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2i2t n ASN 13 N -0.51 0.00 -0.13 6.15 4.13 -1.26 -4.92 115.26 118.72 2i2t n ASN 13 Ca 0.00 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.28 2i2t n ASN 13 Cb 0.11 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.36 2i2t n ASN 13 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2i2t n SER 14 N 0.00 1.33 -0.05 6.41 2.88 -1.26 -4.20 113.62 118.73 2i2t n SER 14 Ca 0.00 -1.18 -0.04 0.00 -1.33 0.00 0.00 58.87 56.32 2i2t n SER 14 Cb 0.00 -0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 2i2t n SER 14 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2i2t n SER 15 N 0.16 0.22 0.00 -3.46 3.41 -1.26 -4.24 113.62 108.46 2i2t n SER 15 Ca 0.02 0.10 -0.17 0.00 -0.26 0.00 0.00 58.87 58.56 2i2t n SER 15 Cb 0.09 0.98 -0.12 0.00 -0.26 0.00 0.00 64.21 64.91 2i2t n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2i2t h HIS 16 N 0.00 0.50 0.00 7.33 6.17 -1.92 -3.19 115.15 124.04 2i2t h HIS 16 Ca -0.34 -0.28 -0.06 0.00 0.71 0.00 0.00 60.37 60.39 2i2t h HIS 16 Cb 1.84 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 31.70 2i2t h HIS 16 CO 0.00 1.11 -0.10 0.54 0.71 0.00 0.00 177.93 180.19 2i2t n ARG 17 N -4.29 1.21 -1.01 5.26 1.74 -1.26 -1.18 116.66 117.13 2i2t n ARG 17 Ca -0.11 -0.32 -0.03 0.00 -0.77 0.00 0.00 57.85 56.62 2i2t n ARG 17 Cb 0.65 -1.37 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 2i2t n ARG 17 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2i2t n GLN 18 N 1.91 0.13 0.13 5.56 6.02 -1.20 -4.90 117.38 125.03 2i2t n GLN 18 Ca 0.14 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 2i2t n GLN 18 Cb 0.58 0.45 0.00 0.00 1.02 0.00 0.00 30.24 32.29 2i2t n GLN 18 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i2t n ALA 19 N -0.15 0.00 0.34 -1.58 0.00 -0.69 -4.66 120.51 113.77 2i2t n ALA 19 Ca -0.14 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.38 2i2t n ALA 19 Cb 0.53 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.37 2i2t n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n MET 20 N -3.03 0.10 -0.12 0.00 0.00 -0.33 -0.36 117.12 113.37 2i2t n MET 20 Ca 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 57.70 57.89 2i2t n MET 20 Cb 0.00 -1.72 -0.07 0.00 0.00 0.00 0.00 33.22 31.42 2i2t n MET 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2i2t n PHE 21 N -1.92 0.02 -0.25 3.17 0.99 -1.26 -3.42 117.46 114.79 2i2t n PHE 21 Ca 0.02 0.01 0.23 0.00 -0.00 0.00 0.00 57.45 57.71 2i2t n PHE 21 Cb 0.15 -0.81 0.58 0.00 -1.00 0.00 0.00 39.48 38.39 2i2t n PHE 21 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2i2t h ARG 22 N -1.00 0.27 0.30 -1.08 2.43 -1.77 0.79 114.38 114.32 2i2t h ARG 22 Ca -0.44 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2i2t h ARG 22 Cb 1.38 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2i2t h ARG 22 CO -0.26 0.18 -0.15 -0.91 -1.51 0.00 0.00 179.97 177.32 2i2t h ASN 23 N 0.28 -0.34 -0.61 -3.80 4.21 -0.90 -3.02 115.58 111.39 2i2t h ASN 23 Ca 0.50 0.01 0.18 0.00 1.21 0.00 0.00 56.30 58.20 2i2t h ASN 23 Cb 1.46 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.72 2i2t h ASN 23 CO -0.15 -0.01 0.58 -0.03 -1.29 0.00 0.00 177.43 176.52 2i2t h MET 24 N -0.87 0.00 0.91 0.81 1.85 -1.32 0.94 114.93 117.24 2i2t h MET 24 Ca -0.04 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.00 2i2t h MET 24 Cb 0.31 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.35 2i2t h MET 24 CO 0.07 0.00 -0.44 0.00 -0.40 0.00 0.00 176.91 176.14 2i2t h ALA 25 N 1.42 -1.33 -0.68 0.39 0.00 0.60 -0.37 119.26 119.29 2i2t h ALA 25 Ca 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2i2t h ALA 25 Cb 1.45 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2i2t h ALA 25 CO -0.00 -1.24 0.41 0.78 0.00 0.00 0.00 179.25 179.20 2i2t h GLY 26 N -1.23 0.97 1.69 0.00 0.00 -0.89 0.07 103.07 103.69 2i2t h GLY 26 Ca -0.13 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 46.85 2i2t h GLY 26 CO 0.21 0.38 0.12 1.76 0.00 0.00 0.00 176.54 179.01 2i2t h SER 27 N 0.93 0.00 0.15 0.19 0.02 -0.61 0.41 113.55 114.64 2i2t h SER 27 Ca 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2i2t h SER 27 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2i2t h SER 27 CO -0.05 0.00 -0.07 0.25 -1.14 0.00 0.00 176.83 175.82 2i2t h LEU 28 N 0.00 -0.17 0.29 5.07 6.46 0.78 -2.96 115.31 124.78 2i2t h LEU 28 Ca 0.05 -0.35 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2i2t h LEU 28 Cb 0.30 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 2i2t h LEU 28 CO -0.00 0.40 -0.26 0.58 -0.62 0.00 0.00 178.44 178.54 2i2t h VAL 29 N -0.90 0.00 -0.73 1.05 2.07 -1.00 1.32 116.25 118.05 2i2t h VAL 29 Ca -0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.71 2i2t h VAL 29 Cb 0.51 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2i2t h VAL 29 CO 0.03 0.00 1.01 -0.09 0.02 0.00 0.00 177.57 178.54 2i2t h ARG 30 N -0.54 0.00 0.00 1.57 1.12 -0.37 -2.05 114.38 114.11 2i2t h ARG 30 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 2i2t h ARG 30 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 2i2t h ARG 30 CO -0.02 0.00 0.00 0.72 -3.11 0.00 0.00 179.97 177.56 2i2t n HIS 31 N -3.21 0.00 0.00 2.20 8.25 -0.90 -5.01 115.22 116.54 2i2t n HIS 31 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2i2t n HIS 31 Cb 1.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.35 2i2t n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2i2t n GLU 32 N -0.21 0.00 -4.02 -0.41 1.02 0.45 -4.83 120.64 112.64 2i2t n GLU 32 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2i2t n GLU 32 Cb 0.07 -3.08 -0.10 0.00 -0.02 0.00 0.00 31.44 28.31 2i2t n GLU 32 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2i2t s ILE 33 N -0.17 0.18 -0.20 -3.67 -5.25 -1.25 -2.44 121.20 108.40 2i2t s ILE 33 Ca 0.00 -1.52 -0.27 0.00 -0.99 0.00 0.00 60.65 57.87 2i2t s ILE 33 Cb 0.00 -1.28 0.09 0.00 2.95 0.00 0.00 42.46 44.22 2i2t s ILE 33 CO 0.00 -0.84 0.81 -0.63 -1.79 0.00 0.00 174.94 172.49 2i2t s ILE 34 N -3.47 0.00 -0.18 8.37 1.01 -0.57 -4.83 121.20 121.52 2i2t s ILE 34 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 2i2t s ILE 34 Cb 0.04 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2i2t s ILE 34 CO -0.08 0.00 -0.04 -1.59 0.00 0.00 0.00 174.94 173.23 2i2t s LYS 35 N -0.25 3.58 0.27 2.79 0.00 -1.26 -2.31 119.74 122.56 2i2t s LYS 35 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 55.97 55.20 2i2t s LYS 35 Cb -0.03 -2.95 0.06 0.00 0.00 0.00 0.00 37.83 34.91 2i2t s LYS 35 CO 0.02 0.11 0.91 -0.08 0.00 0.00 0.00 175.35 176.30 2i2t s THR 36 N 0.71 0.00 0.17 3.79 -1.32 -1.26 -4.96 115.64 112.78 2i2t s THR 36 Ca -0.02 -0.80 -0.32 0.00 -1.21 0.00 0.00 61.69 59.35 2i2t s THR 36 Cb -0.14 -2.76 -0.11 0.00 -1.51 0.00 0.00 72.50 67.98 2i2t s THR 36 CO 0.02 0.00 1.76 -0.89 -2.21 0.00 0.00 174.62 173.30 2i2t s THR 37 N -2.43 2.26 0.29 5.08 2.01 -1.26 0.65 115.64 122.23 2i2t s THR 37 Ca 0.18 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2i2t s THR 37 Cb -0.04 -3.03 0.32 0.00 0.01 0.00 0.00 72.50 69.76 2i2t s THR 37 CO 0.08 0.00 1.64 0.25 -0.69 0.00 0.00 174.62 175.90 2i2t h LEU 38 N 7.55 -0.07 -0.49 4.42 5.85 -1.37 0.57 115.31 131.76 2i2t h LEU 38 Ca -0.44 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.52 2i2t h LEU 38 Cb 1.21 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 2i2t h LEU 38 CO 0.95 -0.19 0.27 -0.65 -0.34 0.00 0.00 178.44 178.49 2i2t h PRO 39 N 0.17 0.52 -0.63 5.25 0.11 -1.89 0.90 132.00 136.43 2i2t h PRO 39 Ca 0.56 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.54 2i2t h PRO 39 Cb 1.13 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2i2t h PRO 39 CO -0.69 0.34 0.03 0.87 -0.21 0.00 0.00 178.00 178.35 2i2t h LYS 40 N 0.54 1.09 0.16 1.05 1.57 -0.50 -2.97 116.57 117.51 2i2t h LYS 40 Ca 0.21 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2i2t h LYS 40 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2i2t h LYS 40 CO -0.12 1.04 -0.08 0.00 -0.57 0.00 0.00 179.45 179.72 2i2t h ALA 41 N 1.02 -0.21 0.00 3.86 0.00 0.54 0.14 119.26 124.60 2i2t h ALA 41 Ca 0.18 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2i2t h ALA 41 Cb 0.53 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2i2t h ALA 41 CO 0.03 -0.52 0.03 1.63 0.00 0.00 0.00 179.25 180.42 2i2t n LYS 42 N -5.09 0.49 0.04 0.00 5.02 0.31 -1.92 118.16 117.00 2i2t n LYS 42 Ca -0.09 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2i2t n LYS 42 Cb 0.18 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2i2t n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2i2t n GLU 43 N 2.04 0.00 0.25 1.97 -0.58 -1.01 -4.84 120.64 118.46 2i2t n GLU 43 Ca 0.04 0.00 0.18 0.00 -0.42 0.00 0.00 57.16 56.96 2i2t n GLU 43 Cb 0.24 0.00 0.89 0.00 -0.57 0.00 0.00 31.44 31.99 2i2t n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2i2t h LEU 44 N 0.00 0.00 -0.34 -4.62 5.85 -0.28 0.65 115.31 116.57 2i2t h LEU 44 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2i2t h LEU 44 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2i2t h LEU 44 CO 0.00 0.00 -0.08 -0.09 -0.34 0.00 0.00 178.44 177.93 2i2t h ARG 45 N 0.00 0.66 0.00 1.25 2.43 -1.71 1.58 114.38 118.59 2i2t h ARG 45 Ca 0.06 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2i2t h ARG 45 Cb 0.52 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2i2t h ARG 45 CO -0.00 0.83 0.00 0.54 -1.51 0.00 0.00 179.97 179.83 2i2t n ARG 46 N -4.42 0.11 -0.05 0.20 1.74 0.22 -3.37 116.66 111.09 2i2t n ARG 46 Ca -0.02 0.20 -0.05 0.00 -0.77 0.00 0.00 57.85 57.21 2i2t n ARG 46 Cb 0.34 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 2i2t n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2i2t n VAL 47 N -1.39 0.87 -2.83 1.55 0.31 -0.47 -4.61 118.33 111.77 2i2t n VAL 47 Ca 0.05 0.29 -0.44 0.00 -0.01 0.00 0.00 64.34 64.23 2i2t n VAL 47 Cb 0.14 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 2i2t n VAL 47 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2i2t n VAL 48 N -3.63 4.20 0.01 2.52 0.31 0.53 -3.42 118.33 118.84 2i2t n VAL 48 Ca -0.08 -4.58 0.00 0.00 -0.01 0.00 0.00 64.34 59.67 2i2t n VAL 48 Cb 0.29 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.78 2i2t n VAL 48 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i2t n GLU 49 N 5.99 0.00 0.14 5.55 1.02 -1.23 -4.70 120.64 127.42 2i2t n GLU 49 Ca 0.39 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.66 2i2t n GLU 49 Cb 0.43 0.00 0.51 0.00 -0.02 0.00 0.00 31.44 32.36 2i2t n GLU 49 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2i2t h PRO 50 N 0.00 0.00 0.23 3.49 0.11 -1.80 0.58 132.00 134.61 2i2t h PRO 50 Ca 0.00 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.77 2i2t h PRO 50 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 2i2t h PRO 50 CO 0.00 0.00 -1.56 1.25 -0.21 0.00 0.00 178.00 177.48 2i2t h LEU 51 N 0.00 0.77 -0.19 2.35 5.85 -1.89 -2.92 115.31 119.28 2i2t h LEU 51 Ca 0.00 -0.90 -0.22 0.00 0.84 0.00 0.00 57.88 57.60 2i2t h LEU 51 Cb 0.38 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2i2t h LEU 51 CO 0.00 1.72 -0.84 0.40 -0.34 0.00 0.00 178.44 179.38 2i2t h ILE 52 N 0.13 1.32 -0.27 4.05 2.04 -1.74 -1.84 117.51 121.19 2i2t h ILE 52 Ca -0.28 -2.14 0.06 0.00 1.00 0.00 0.00 64.86 63.50 2i2t h ILE 52 Cb 2.15 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 40.37 2i2t h ILE 52 CO 0.25 0.66 0.19 0.74 0.00 0.00 0.00 178.15 179.99 2i2t h THR 53 N 0.40 0.92 0.00 -0.27 2.02 -1.00 0.69 112.91 115.68 2i2t h THR 53 Ca -0.07 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 2i2t h THR 53 Cb 1.46 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2i2t h THR 53 CO 0.16 0.02 -0.01 0.25 0.37 0.00 0.00 175.52 176.31 2i2t h LEU 54 N 0.12 0.00 -1.56 2.58 5.85 -1.26 -3.18 115.31 117.85 2i2t h LEU 54 Ca 0.12 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2i2t h LEU 54 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2i2t h LEU 54 CO -0.01 0.01 -0.21 0.00 -0.34 0.00 0.00 178.44 177.89 2i2t h ALA 55 N 1.99 1.26 -0.18 1.25 0.00 0.12 -3.25 119.26 120.45 2i2t h ALA 55 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2i2t h ALA 55 Cb 1.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2i2t h ALA 55 CO 0.00 0.26 -0.22 0.87 0.00 0.00 0.00 179.25 180.17 2i2t h LYS 56 N 0.00 -0.13 -6.37 0.00 1.79 -1.50 -3.38 116.57 106.98 2i2t h LYS 56 Ca -0.00 0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 57.91 2i2t h LYS 56 Cb 0.51 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 2i2t h LYS 56 CO 0.03 -0.09 0.95 0.99 -1.08 0.00 0.00 179.45 180.25 2i2t s THR 57 N -4.02 4.20 0.00 -0.16 2.01 -1.23 -4.86 115.64 111.59 2i2t s THR 57 Ca -0.05 1.36 0.00 0.00 0.31 0.00 0.00 61.69 63.30 2i2t s THR 57 Cb 0.03 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2i2t s THR 57 CO 0.24 -0.51 0.15 -0.67 -0.69 0.00 0.00 174.62 173.14 2i2t n ASP 58 N 7.52 0.00 -0.93 3.53 4.64 -1.26 -4.71 116.55 125.34 2i2t n ASP 58 Ca 0.14 0.15 0.09 0.00 -1.38 0.00 0.00 54.79 53.80 2i2t n ASP 58 Cb 0.47 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.52 2i2t n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2i2t n SER 59 N -0.20 -4.15 -0.02 1.67 2.88 -1.26 -4.21 113.62 108.32 2i2t n SER 59 Ca 0.00 0.47 -0.18 0.00 -1.33 0.00 0.00 58.87 57.83 2i2t n SER 59 Cb 0.00 -2.96 -0.14 0.00 -0.75 0.00 0.00 64.21 60.36 2i2t n SER 59 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2i2t n VAL 60 N -3.01 1.70 0.37 2.46 0.31 -1.26 -4.21 118.33 114.68 2i2t n VAL 60 Ca -0.02 -0.67 -0.17 0.00 -0.01 0.00 0.00 64.34 63.47 2i2t n VAL 60 Cb 0.59 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 2i2t n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2t h ALA 61 N 0.23 -0.94 -0.53 3.52 0.00 -1.97 -2.54 119.26 117.03 2i2t h ALA 61 Ca -0.43 -0.22 -0.40 0.00 0.00 0.00 0.00 54.91 53.86 2i2t h ALA 61 Cb 2.02 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 20.13 2i2t h ALA 61 CO 0.06 -0.98 1.29 0.09 0.00 0.00 0.00 179.25 179.71 2i2t n ASN 62 N -5.46 3.43 0.00 0.00 5.03 -1.26 -1.35 115.26 115.65 2i2t n ASN 62 Ca -0.13 -2.74 0.00 0.00 0.87 0.00 0.00 54.58 52.58 2i2t n ASN 62 Cb 0.39 -1.74 0.00 0.00 -1.02 0.00 0.00 39.78 37.40 2i2t n ASN 62 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2i2t n ARG 63 N 8.29 0.00 0.08 3.52 3.00 -1.19 -4.39 116.66 125.97 2i2t n ARG 63 Ca 0.46 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 58.10 2i2t n ARG 63 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.81 2i2t n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i2t h ARG 64 N 0.00 0.59 0.00 -0.14 3.08 -0.89 -0.17 114.38 116.85 2i2t h ARG 64 Ca 0.00 -0.75 0.00 0.00 0.07 0.00 0.00 59.98 59.30 2i2t h ARG 64 Cb 0.00 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2i2t h ARG 64 CO 0.00 1.33 0.00 -0.11 -1.07 0.00 0.00 179.97 180.12 2i2t n LEU 65 N -3.77 0.78 0.02 3.04 0.00 -0.46 0.45 117.00 117.06 2i2t n LEU 65 Ca -0.12 0.61 0.11 0.00 0.00 0.00 0.00 56.01 56.61 2i2t n LEU 65 Cb 0.96 -0.41 0.11 0.00 0.00 0.00 0.00 43.42 44.08 2i2t n LEU 65 CO 0.57 -0.31 0.20 0.00 0.00 0.00 0.00 177.39 177.84 2i2t n ALA 66 N -1.79 3.52 -0.04 1.96 0.00 -1.12 -3.47 120.51 119.58 2i2t n ALA 66 Ca 0.04 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.05 2i2t n ALA 66 Cb 0.36 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 2i2t n ALA 66 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2i2t n PHE 67 N -1.78 0.54 -0.26 0.00 7.35 -0.09 -3.85 117.46 119.36 2i2t n PHE 67 Ca 0.04 0.19 0.01 0.00 -0.76 0.00 0.00 57.45 56.92 2i2t n PHE 67 Cb 0.39 -1.03 0.13 0.00 0.35 0.00 0.00 39.48 39.32 2i2t n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2i2t h ALA 68 N 1.20 1.03 -2.97 3.13 0.00 -0.03 -3.36 119.26 118.26 2i2t h ALA 68 Ca -0.33 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 2i2t h ALA 68 Cb 1.90 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.47 2i2t h ALA 68 CO 0.05 0.09 -0.25 1.03 0.00 0.00 0.00 179.25 180.16 2i2t s ARG 69 N -6.07 4.21 0.29 0.00 0.52 -1.24 -4.83 118.95 111.83 2i2t s ARG 69 Ca -0.13 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 2i2t s ARG 69 Cb 0.18 -3.39 0.00 0.00 0.52 0.00 0.00 34.95 32.25 2i2t s ARG 69 CO 0.77 0.29 0.00 0.25 0.02 0.00 0.00 175.30 176.63 2i2t n THR 70 N 3.31 -4.42 -0.95 0.02 -2.24 -1.26 -4.74 114.28 104.00 2i2t n THR 70 Ca -0.11 1.91 0.04 0.00 -2.27 0.00 0.00 64.05 63.62 2i2t n THR 70 Cb 0.52 -2.75 0.38 0.00 -2.10 0.00 0.00 70.33 66.37 2i2t n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2i2t n ARG 71 N 0.13 4.54 -3.73 -0.78 3.00 -1.26 -4.46 116.66 114.10 2i2t n ARG 71 Ca 0.00 -3.14 -0.37 0.00 -0.01 0.00 0.00 57.85 54.32 2i2t n ARG 71 Cb 0.00 -2.24 -0.11 0.00 0.00 0.00 0.00 32.46 30.11 2i2t n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2i2t s ASP 72 N -0.92 5.35 0.35 0.55 3.68 -1.26 -4.92 116.67 119.51 2i2t s ASP 72 Ca 0.54 -1.85 0.04 0.00 2.13 0.00 0.00 52.55 53.41 2i2t s ASP 72 Cb 0.42 -1.87 0.68 0.00 -1.45 0.00 0.00 42.92 40.70 2i2t s ASP 72 CO 0.15 -0.54 1.98 0.78 0.13 0.00 0.00 175.17 177.67 2i2t h ASN 73 N 8.17 0.70 -1.19 -0.34 4.21 -1.96 0.12 115.58 125.29 2i2t h ASN 73 Ca -0.17 -0.01 0.34 0.00 1.21 0.00 0.00 56.30 57.68 2i2t h ASN 73 Cb 1.06 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 38.04 2i2t h ASN 73 CO 0.72 0.48 0.85 -0.08 -1.29 0.00 0.00 177.43 178.11 2i2t h GLU 74 N 0.81 0.03 0.00 0.81 4.81 -1.99 0.34 114.58 119.39 2i2t h GLU 74 Ca 0.28 -0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.16 2i2t h GLU 74 Cb 0.08 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 2i2t h GLU 74 CO -0.08 0.02 -2.28 0.44 -0.73 0.00 0.00 179.01 176.38 2i2t n ILE 75 N -4.21 1.28 0.86 2.32 -6.64 -0.10 -3.17 119.36 109.70 2i2t n ILE 75 Ca 0.26 -0.76 0.08 0.00 -1.77 0.00 0.00 62.75 60.56 2i2t n ILE 75 Cb 1.23 -0.60 0.44 0.00 -1.44 0.00 0.00 39.64 39.27 2i2t n ILE 75 CO 0.00 0.00 0.00 1.33 -1.77 0.00 0.00 176.55 176.11 2i2t n VAL 76 N -2.74 0.38 -0.13 7.28 0.24 -0.21 -0.33 118.33 122.81 2i2t n VAL 76 Ca -0.32 0.10 -0.19 0.00 -2.04 0.00 0.00 64.34 61.89 2i2t n VAL 76 Cb 1.09 -0.82 -0.12 0.00 -1.47 0.00 0.00 33.84 32.51 2i2t n VAL 76 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2i2t n ALA 77 N -1.21 1.42 0.24 2.33 0.00 0.10 -4.06 120.51 119.34 2i2t n ALA 77 Ca 0.09 -1.10 0.06 0.00 0.00 0.00 0.00 53.44 52.50 2i2t n ALA 77 Cb 0.11 -0.07 0.55 0.00 0.00 0.00 0.00 19.45 20.05 2i2t n ALA 77 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2i2t h LYS 78 N -0.10 0.00 -6.61 0.00 3.64 -1.25 -2.65 116.57 109.61 2i2t h LYS 78 Ca -0.59 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.28 2i2t h LYS 78 Cb 1.86 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.66 2i2t h LYS 78 CO -0.12 0.12 -0.01 -0.51 -2.27 0.00 0.00 179.45 176.66 2i2t s LEU 79 N -8.73 4.06 0.00 5.20 1.02 0.55 -2.36 118.68 118.41 2i2t s LEU 79 Ca -0.04 1.04 0.00 0.00 0.02 0.00 0.00 54.13 55.15 2i2t s LEU 79 Cb 0.16 -3.84 0.00 0.00 0.02 0.00 0.00 46.19 42.53 2i2t s LEU 79 CO 0.69 -0.19 0.00 0.49 0.02 0.00 0.00 176.35 177.36 2i2t n PHE 80 N -0.52 0.00 -2.14 0.29 3.72 -1.26 -4.60 117.46 112.95 2i2t n PHE 80 Ca 0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 2i2t n PHE 80 Cb 0.53 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.13 2i2t n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2i2t n ASN 81 N 0.70 3.00 0.00 4.37 4.13 -1.00 -4.72 115.26 121.74 2i2t n ASN 81 Ca 0.00 -3.23 0.00 0.00 1.68 0.00 0.00 54.58 53.03 2i2t n ASN 81 Cb 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 2i2t n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2i2t n GLU 82 N -0.65 0.00 0.12 3.52 2.13 -1.10 -4.82 120.64 119.85 2i2t n GLU 82 Ca 0.26 0.00 0.07 0.00 0.66 0.00 0.00 57.16 58.15 2i2t n GLU 82 Cb 0.89 0.00 0.39 0.00 0.27 0.00 0.00 31.44 32.99 2i2t n GLU 82 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2i2t n LEU 83 N 0.00 0.37 0.00 4.31 4.32 -1.00 0.79 117.00 125.80 2i2t n LEU 83 Ca 0.00 0.65 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 2i2t n LEU 83 Cb 0.00 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 2i2t n LEU 83 CO 0.00 -0.78 0.46 0.61 -1.22 0.00 0.00 177.39 176.47 2i2t n GLY 84 N -1.34 -2.32 0.19 -0.72 0.00 -1.26 -2.78 105.19 96.96 2i2t n GLY 84 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2i2t n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2i2t h PRO 85 N 0.00 0.00 -0.87 1.61 0.11 -1.68 -2.60 132.00 128.58 2i2t h PRO 85 Ca 0.00 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.36 2i2t h PRO 85 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 2i2t h PRO 85 CO 0.00 0.36 0.71 0.00 -0.21 0.00 0.00 178.00 178.86 2i2t h ARG 86 N 0.00 0.00 0.00 1.05 2.47 0.36 0.64 114.38 118.90 2i2t h ARG 86 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2i2t h ARG 86 Cb 0.98 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 2i2t h ARG 86 CO 0.05 0.00 -0.04 1.19 0.56 0.00 0.00 179.97 181.73 2i2t n PHE 87 N -3.99 0.00 0.07 3.04 3.72 -1.12 -4.76 117.46 114.43 2i2t n PHE 87 Ca 0.18 -0.58 0.20 0.00 -0.05 0.00 0.00 57.45 57.19 2i2t n PHE 87 Cb 1.01 -0.08 0.59 0.00 -0.94 0.00 0.00 39.48 40.06 2i2t n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2i2t h ALA 88 N 0.00 2.21 0.00 4.37 0.00 0.70 0.33 119.26 126.87 2i2t h ALA 88 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2i2t h ALA 88 Cb 0.79 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2i2t h ALA 88 CO 0.00 -0.95 -2.16 -1.13 0.00 0.00 0.00 179.25 175.01 2i2t n SER 89 N -3.30 0.95 -4.56 0.00 3.41 -1.26 -5.00 113.62 103.86 2i2t n SER 89 Ca 0.09 -0.01 -0.57 0.00 -0.26 0.00 0.00 58.87 58.13 2i2t n SER 89 Cb 0.88 0.83 -0.07 0.00 -0.26 0.00 0.00 64.21 65.59 2i2t n SER 89 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2i2t n ARG 90 N -2.65 0.51 0.27 4.33 3.00 0.12 -4.83 116.66 117.40 2i2t n ARG 90 Ca -0.28 0.18 0.18 0.00 -0.00 0.00 0.00 57.85 57.93 2i2t n ARG 90 Cb 1.04 -1.75 0.78 0.00 0.00 0.00 0.00 32.46 32.53 2i2t n ARG 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2i2t h ALA 91 N 3.96 1.00 0.00 5.13 0.00 -1.95 -3.46 119.26 123.94 2i2t h ALA 91 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2i2t h ALA 91 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2i2t h ALA 91 CO 0.74 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2i2t n GLY 92 N -0.28 2.31 3.58 0.00 0.00 -1.26 -5.05 105.19 104.48 2i2t n GLY 92 Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 2i2t n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i2t s GLY 93 N 0.00 -0.52 0.00 -0.02 0.00 -1.26 -4.67 107.32 100.85 2i2t s GLY 93 Ca 0.00 -1.82 0.16 0.00 0.00 0.00 0.00 44.72 43.05 2i2t s GLY 93 CO 0.00 3.95 1.52 -1.72 0.00 0.00 0.00 173.10 176.84 2i2t n TYR 94 N 17.22 0.10 -3.73 1.90 4.01 -1.26 -4.83 117.16 130.57 2i2t n TYR 94 Ca 0.43 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.90 57.99 2i2t n TYR 94 Cb 0.47 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.40 2i2t n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2i2t s THR 95 N -1.90 0.00 0.34 -0.72 -1.32 -1.26 -2.29 115.64 108.49 2i2t s THR 95 Ca 0.24 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2i2t s THR 95 Cb 0.12 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2i2t s THR 95 CO 0.19 -0.02 0.55 -0.60 -2.21 0.00 0.00 174.62 172.53 2i2t s ARG 96 N 0.11 3.50 -0.05 7.08 6.06 0.45 -4.89 118.95 131.21 2i2t s ARG 96 Ca -0.01 -0.31 0.00 0.00 -2.50 0.00 0.00 55.73 52.92 2i2t s ARG 96 Cb -0.03 -2.66 -0.03 0.00 0.06 0.00 0.00 34.95 32.28 2i2t s ARG 96 CO 0.01 0.16 -0.04 0.44 -2.50 0.00 0.00 175.30 173.36 2i2t n ILE 97 N -1.70 0.28 -1.36 4.11 -6.64 -1.26 -1.32 119.36 111.47 2i2t n ILE 97 Ca -0.04 -0.11 0.16 0.00 -1.77 0.00 0.00 62.75 60.99 2i2t n ILE 97 Cb 0.56 -0.68 -0.07 0.00 -1.44 0.00 0.00 39.64 38.01 2i2t n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2i2t n LEU 98 N -2.63 -0.83 -4.04 7.28 7.99 -1.26 0.17 117.00 123.68 2i2t n LEU 98 Ca -0.09 1.91 -0.13 0.00 -0.01 0.00 0.00 56.01 57.70 2i2t n LEU 98 Cb 0.59 -4.02 -0.03 0.00 -0.11 0.00 0.00 43.42 39.85 2i2t n LEU 98 CO 0.05 -2.52 0.20 -0.54 -1.51 0.00 0.00 177.39 173.07 2i2t s LYS 99 N -3.57 1.91 0.00 3.23 1.02 -1.26 -2.88 119.74 118.19 2i2t s LYS 99 Ca 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.35 2i2t s LYS 99 Cb 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 2i2t s LYS 99 CO 0.00 -0.81 0.00 0.00 -0.92 0.00 0.00 175.35 173.62 2i2t n GLY 101 N -0.37 -0.37 2.30 0.00 0.00 0.27 -4.78 105.19 102.24 2i2t n GLY 101 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 2i2t n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2i2t n PHE 102 N -1.21 -3.58 -3.98 1.61 3.01 0.93 -4.42 117.46 109.82 2i2t n PHE 102 Ca 0.00 2.09 -0.21 0.00 1.01 0.00 0.00 57.45 60.34 2i2t n PHE 102 Cb 0.13 -3.41 -0.03 0.00 -0.01 0.00 0.00 39.48 36.15 2i2t n PHE 102 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2i2t s ARG 103 N -0.77 3.15 0.03 -1.08 3.52 -0.42 -4.85 118.95 118.52 2i2t s ARG 103 Ca -0.19 -0.94 -0.12 0.00 -0.13 0.00 0.00 55.73 54.34 2i2t s ARG 103 Cb 0.01 -2.72 -0.06 0.00 -1.56 0.00 0.00 34.95 30.62 2i2t s ARG 103 CO 0.53 0.36 1.19 0.00 -0.81 0.00 0.00 175.30 176.57 2i2t h ALA 104 N 1.28 -0.97 -3.00 6.12 0.00 -1.97 -3.38 119.26 117.35 2i2t h ALA 104 Ca -0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2i2t h ALA 104 Cb 1.24 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2i2t h ALA 104 CO 0.60 -0.96 0.00 0.41 0.00 0.00 0.00 179.25 179.30 2i2t n GLY 105 N -1.20 -2.12 3.77 0.00 0.00 -1.26 -4.70 105.19 99.67 2i2t n GLY 105 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2i2t n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2i2t s ASP 106 N -2.14 6.65 0.00 1.61 1.47 -1.26 -4.84 116.67 118.16 2i2t s ASP 106 Ca 0.00 2.39 0.00 0.00 1.18 0.00 0.00 52.55 56.12 2i2t s ASP 106 Cb 0.00 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.96 2i2t s ASP 106 CO 0.00 -0.59 1.01 -3.20 0.68 0.00 0.00 175.17 173.07 2i2t n ASN 107 N 0.31 2.87 -4.77 2.11 4.05 -1.26 -2.82 115.26 115.75 2i2t n ASN 107 Ca 0.03 -1.71 -0.38 0.00 0.45 0.00 0.00 54.58 52.96 2i2t n ASN 107 Cb 0.46 -0.53 -0.02 0.00 1.23 0.00 0.00 39.78 40.91 2i2t n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2i2t s ALA 108 N 0.29 3.19 -0.25 5.20 0.00 -1.26 -4.54 121.76 124.40 2i2t s ALA 108 Ca 0.00 0.95 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 2i2t s ALA 108 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2i2t s ALA 108 CO 0.00 -0.48 0.93 -1.25 0.00 0.00 0.00 175.76 174.96 2i2t s PRO 109 N -2.21 4.19 0.11 0.00 0.04 -1.26 -0.05 135.00 135.82 2i2t s PRO 109 Ca 0.56 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.73 2i2t s PRO 109 Cb -0.31 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 2i2t s PRO 109 CO 0.39 -0.60 0.09 -1.64 0.04 0.00 0.00 177.00 175.27 2i2t s MET 110 N 3.05 2.83 0.00 4.56 -1.94 -1.26 -1.11 119.30 125.43 2i2t s MET 110 Ca 0.39 -0.78 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 2i2t s MET 110 Cb -0.15 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 34.02 2i2t s MET 110 CO 0.08 0.53 0.00 0.00 -0.01 0.00 0.00 175.02 175.62 2i2t n ALA 111 N 0.19 0.00 -2.71 3.03 0.00 0.21 0.95 120.51 122.18 2i2t n ALA 111 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2i2t n ALA 111 Cb 0.53 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.09 2i2t n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i2t n TYR 112 N 0.00 -2.59 -1.55 0.00 4.01 0.13 -4.06 117.16 113.10 2i2t n TYR 112 Ca 0.00 -1.98 -0.50 0.00 -0.16 0.00 0.00 57.90 55.25 2i2t n TYR 112 Cb 0.00 1.61 -0.04 0.00 -0.31 0.00 0.00 39.34 40.60 2i2t n TYR 112 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2i2t n ILE 113 N -0.32 0.89 -3.54 -0.72 0.13 -0.63 -4.35 119.36 110.82 2i2t n ILE 113 Ca -0.00 -0.22 -0.15 0.00 -1.10 0.00 0.00 62.75 61.28 2i2t n ILE 113 Cb 0.81 -0.63 -0.06 0.00 -0.84 0.00 0.00 39.64 38.92 2i2t n ILE 113 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2i2t s GLU 114 N -0.40 0.85 0.40 9.51 2.12 -0.43 -1.52 118.70 129.24 2i2t s GLU 114 Ca 0.75 0.20 -0.26 0.00 0.36 0.00 0.00 54.97 56.02 2i2t s GLU 114 Cb -0.92 0.40 -0.09 0.00 0.26 0.00 0.00 34.13 33.78 2i2t s GLU 114 CO 0.53 -0.27 1.35 -0.51 -0.54 0.00 0.00 175.26 175.83 2i2t s LEU 115 N -1.17 4.23 0.05 2.70 1.43 -1.02 -0.41 118.68 124.48 2i2t s LEU 115 Ca -0.07 2.76 -0.27 0.00 -1.03 0.00 0.00 54.13 55.53 2i2t s LEU 115 Cb -0.00 -3.85 -0.14 0.00 0.03 0.00 0.00 46.19 42.22 2i2t s LEU 115 CO 0.06 -0.89 1.40 1.62 0.23 0.00 0.00 176.35 178.77 2i2t h VAL 116 N 2.55 0.00 0.00 -1.59 3.04 -1.78 -3.12 116.25 115.36 2i2t h VAL 116 Ca -0.50 0.00 -0.55 0.00 -1.01 0.00 0.00 66.70 64.64 2i2t h VAL 116 Cb 1.25 0.00 0.02 0.00 -2.01 0.00 0.00 31.29 30.55 2i2t h VAL 116 CO 0.63 0.00 3.20 -0.90 -1.01 0.00 0.00 177.57 179.48 2i2t n ASP 117 N -4.59 6.45 -1.55 3.17 3.85 -1.26 -4.39 116.55 118.23 2i2t n ASP 117 Ca -0.11 -2.49 0.10 0.00 -0.71 0.00 0.00 54.79 51.57 2i2t n ASP 117 Cb 0.37 -1.35 0.35 0.00 -1.35 0.00 0.00 41.12 39.15 2i2t n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 2i2t n ARG 118 N 4.22 3.63 0.00 0.11 0.00 -1.18 -4.50 116.66 118.95 2i2t n ARG 118 Ca 0.61 -2.87 0.00 0.00 -0.00 0.00 0.00 57.85 55.59 2i2t n ARG 118 Cb 0.21 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 30.82 2i2t n ARG 118 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2i2t n SER 119 N 1.16 0.00 0.00 6.15 3.41 -1.26 -5.09 113.62 118.00 2i2t n SER 119 Ca 0.26 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2i2t n SER 119 Cb 0.86 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 2i2t n SER 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09