#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n ARG 2 N 0.00 0.00 -1.49 0.03 0.00 -1.26 -5.00 116.66 108.94 3i1t n ARG 2 Ca 0.00 0.07 -0.47 0.00 -0.00 0.00 0.00 57.85 57.45 3i1t n ARG 2 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.90 3i1t n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1t n HIS 3 N -2.45 1.60 -1.50 -0.14 8.25 -1.26 -1.01 115.22 118.71 3i1t n HIS 3 Ca 0.00 0.19 -0.17 0.00 -0.26 0.00 0.00 57.72 57.47 3i1t n HIS 3 Cb 0.00 -2.57 -0.07 0.00 1.12 0.00 0.00 29.99 28.46 3i1t n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1t n ARG 4 N 8.41 -1.52 0.00 -0.41 5.12 -1.26 -4.96 116.66 122.05 3i1t n ARG 4 Ca 0.40 1.09 0.00 0.00 -1.93 0.00 0.00 57.85 57.41 3i1t n ARG 4 Cb 0.29 -5.46 0.00 0.00 -1.16 0.00 0.00 32.46 26.13 3i1t n ARG 4 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3i1t n LYS 5 N -1.87 1.46 -3.41 5.56 4.81 -0.18 -5.07 118.16 119.45 3i1t n LYS 5 Ca -0.17 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.28 3i1t n LYS 5 Cb 0.63 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.69 3i1t n LYS 5 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3i1t n SER 6 N 0.00 -0.96 0.00 3.14 2.88 -1.26 -5.13 113.62 112.28 3i1t n SER 6 Ca 0.00 -1.27 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 3i1t n SER 6 Cb 0.00 1.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 3i1t n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1t n GLY 7 N -0.66 0.60 3.15 0.46 0.00 -1.26 -4.81 105.19 102.68 3i1t n GLY 7 Ca 0.02 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.29 3i1t n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1t s ARG 8 N 0.00 0.04 0.56 1.61 3.52 -1.26 -5.03 118.95 118.39 3i1t s ARG 8 Ca 0.00 0.06 0.29 0.00 -0.13 0.00 0.00 55.73 55.95 3i1t s ARG 8 Cb 0.00 0.03 1.47 0.00 -1.56 0.00 0.00 34.95 34.89 3i1t s ARG 8 CO 0.00 -0.04 1.91 0.37 -0.81 0.00 0.00 175.30 176.73 3i1t h GLN 9 N 7.84 0.00 0.00 5.12 4.15 -1.95 -3.47 115.11 126.80 3i1t h GLN 9 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3i1t h GLN 9 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3i1t h GLN 9 CO -0.22 0.00 0.00 1.28 -1.93 0.00 0.00 178.83 177.96 3i1t n LEU 10 N -4.02 0.00 -3.05 -2.39 7.99 -1.26 -3.89 117.00 110.38 3i1t n LEU 10 Ca 0.12 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.79 3i1t n LEU 10 Cb 0.75 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 44.06 3i1t n LEU 10 CO 0.33 -0.16 0.74 0.59 -1.51 0.00 0.00 177.39 177.37 3i1t n ASN 11 N -3.83 5.82 -1.50 -1.43 4.13 -1.26 -4.95 115.26 112.23 3i1t n ASN 11 Ca 0.00 -3.72 -0.02 0.00 1.68 0.00 0.00 54.58 52.52 3i1t n ASN 11 Cb 0.00 -0.79 0.01 0.00 -1.54 0.00 0.00 39.78 37.46 3i1t n ASN 11 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3i1t n ARG 12 N -0.28 0.29 0.00 3.52 3.00 -1.25 -5.15 116.66 116.79 3i1t n ARG 12 Ca 0.41 -0.58 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 3i1t n ARG 12 Cb 0.38 0.73 0.00 0.00 0.00 0.00 0.00 32.46 33.57 3i1t n ARG 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3i1t n ASN 13 N -1.11 0.00 0.00 6.15 0.23 -1.26 -4.89 115.26 114.39 3i1t n ASN 13 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3i1t n ASN 13 Cb 0.16 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 3i1t n ASN 13 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3i1t n SER 14 N 0.00 0.00 0.00 0.53 7.64 -1.26 -4.29 113.62 116.24 3i1t n SER 14 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i1t n SER 14 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3i1t n SER 14 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i1t n SER 15 N -2.28 0.00 -0.01 6.43 3.41 -1.26 0.11 113.62 120.02 3i1t n SER 15 Ca 0.00 0.31 -0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3i1t n SER 15 Cb 0.00 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3i1t n SER 15 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3i1t h HIS 16 N 0.00 -0.01 0.00 7.33 6.17 -1.96 -3.15 115.15 123.53 3i1t h HIS 16 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3i1t h HIS 16 Cb 0.15 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.08 3i1t h HIS 16 CO 0.00 -0.01 0.00 0.54 0.71 0.00 0.00 177.93 179.17 3i1t n ARG 17 N -2.98 0.43 0.00 5.26 1.74 0.30 0.63 116.66 122.05 3i1t n ARG 17 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1t n ARG 17 Cb 0.01 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3i1t n ARG 17 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i1t n GLN 18 N 0.70 0.21 0.00 5.56 0.00 -0.35 -4.67 117.38 118.83 3i1t n GLN 18 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.00 57.11 3i1t n GLN 18 Cb 0.20 -0.72 0.03 0.00 0.00 0.00 0.00 30.24 29.75 3i1t n GLN 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3i1t n ALA 19 N -1.84 3.21 -0.05 1.69 0.00 -0.17 -3.74 120.51 119.60 3i1t n ALA 19 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 53.44 52.59 3i1t n ALA 19 Cb 0.22 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 3i1t n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3i1t h MET 20 N 3.16 0.10 -0.75 0.00 1.85 -0.06 -3.06 114.93 116.18 3i1t h MET 20 Ca 0.00 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 58.92 3i1t h MET 20 Cb 0.83 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.93 3i1t h MET 20 CO 0.00 1.08 0.00 1.19 -0.40 0.00 0.00 176.91 178.78 3i1t n PHE 21 N -4.31 0.00 0.01 1.39 3.01 -1.26 -0.83 117.46 115.47 3i1t n PHE 21 Ca -0.21 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.25 3i1t n PHE 21 Cb 0.69 -0.07 0.01 0.00 -0.01 0.00 0.00 39.48 40.10 3i1t n PHE 21 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i1t n ARG 22 N 0.02 1.41 0.00 -1.08 0.63 -1.16 -3.49 116.66 112.99 3i1t n ARG 22 Ca 0.00 -1.15 0.00 0.00 -0.92 0.00 0.00 57.85 55.78 3i1t n ARG 22 Cb 0.19 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 32.07 3i1t n ARG 22 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i1t n ASN 23 N -0.21 3.63 -0.30 6.15 3.02 -0.01 -4.43 115.26 123.11 3i1t n ASN 23 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.67 3i1t n ASN 23 Cb 0.17 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 3i1t n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3i1t n MET 24 N -1.47 0.75 0.08 3.52 1.56 -0.07 -3.26 117.12 118.23 3i1t n MET 24 Ca 0.00 -0.60 0.08 0.00 -0.27 0.00 0.00 57.70 56.90 3i1t n MET 24 Cb 0.28 -1.49 -0.02 0.00 2.15 0.00 0.00 33.22 34.14 3i1t n MET 24 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i1t h ALA 25 N 3.56 0.57 -0.56 -5.12 0.00 -1.75 -3.33 119.26 112.61 3i1t h ALA 25 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i1t h ALA 25 Cb 0.65 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i1t h ALA 25 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3i1t n GLY 26 N 1.25 1.68 0.45 0.00 0.00 -1.23 -3.55 105.19 103.79 3i1t n GLY 26 Ca -0.03 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.41 3i1t n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1t n SER 27 N 1.19 2.08 -0.10 1.61 7.64 -1.20 -4.57 113.62 120.27 3i1t n SER 27 Ca 0.19 -1.56 -0.21 0.00 1.01 0.00 0.00 58.87 58.31 3i1t n SER 27 Cb 0.49 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 3i1t n SER 27 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3i1t n LEU 28 N 0.55 1.40 -3.60 -3.43 0.00 -1.23 -3.95 117.00 106.73 3i1t n LEU 28 Ca 0.07 0.24 -0.40 0.00 0.00 0.00 0.00 56.01 55.92 3i1t n LEU 28 Cb 0.29 -0.58 -0.02 0.00 0.00 0.00 0.00 43.42 43.11 3i1t n LEU 28 CO 0.07 0.38 2.57 1.33 0.00 0.00 0.00 177.39 181.74 3i1t n VAL 29 N -3.90 2.97 0.00 1.96 0.24 -1.24 0.87 118.33 119.23 3i1t n VAL 29 Ca -0.38 -2.40 0.00 0.00 -2.04 0.00 0.00 64.34 59.52 3i1t n VAL 29 Cb 0.76 -2.48 0.00 0.00 -1.47 0.00 0.00 33.84 30.65 3i1t n VAL 29 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i1t n ARG 30 N 5.93 0.00 -0.00 7.34 3.00 -1.26 -4.64 116.66 127.04 3i1t n ARG 30 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.39 3i1t n ARG 30 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.81 3i1t n ARG 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1t n HIS 31 N 0.00 0.00 0.00 -0.14 8.25 -0.85 -5.01 115.22 117.48 3i1t n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i1t n HIS 31 Cb 0.00 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i1t n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i1t n GLU 32 N -1.03 0.00 -4.19 -0.41 -0.58 0.25 -4.83 120.64 109.86 3i1t n GLU 32 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 3i1t n GLU 32 Cb 0.02 -2.70 -0.10 0.00 -0.57 0.00 0.00 31.44 28.09 3i1t n GLU 32 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i1t s ILE 33 N -0.77 0.41 -0.10 -3.67 1.01 -1.26 -1.98 121.20 114.84 3i1t s ILE 33 Ca 0.00 -1.93 -0.17 0.00 0.00 0.00 0.00 60.65 58.55 3i1t s ILE 33 Cb 0.00 -2.01 0.04 0.00 0.01 0.00 0.00 42.46 40.50 3i1t s ILE 33 CO 0.00 -0.54 0.42 -0.63 0.00 0.00 0.00 174.94 174.19 3i1t s ILE 34 N -3.83 0.02 -0.16 2.92 1.01 0.85 -4.68 121.20 117.33 3i1t s ILE 34 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.72 3i1t s ILE 34 Cb 0.07 -0.65 0.02 0.00 0.01 0.00 0.00 42.46 41.90 3i1t s ILE 34 CO 0.01 -0.08 -0.17 -0.54 0.00 0.00 0.00 174.94 174.16 3i1t s LYS 35 N -0.43 2.59 0.00 2.79 1.02 -1.26 -1.61 119.74 122.84 3i1t s LYS 35 Ca -0.06 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3i1t s LYS 35 Cb -0.03 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 3i1t s LYS 35 CO 0.03 -0.20 0.00 -2.37 -0.92 0.00 0.00 175.35 171.89 3i1t n THR 36 N 4.63 0.00 -2.01 2.17 5.66 -1.13 -4.93 114.28 118.67 3i1t n THR 36 Ca -0.19 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.40 3i1t n THR 36 Cb 0.50 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.26 3i1t n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3i1t s THR 37 N -2.82 2.58 0.12 1.09 2.01 -1.26 0.23 115.64 117.60 3i1t s THR 37 Ca 0.00 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.26 3i1t s THR 37 Cb 0.00 -3.34 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 3i1t s THR 37 CO 0.00 0.10 1.63 0.25 -0.69 0.00 0.00 174.62 175.91 3i1t h LEU 38 N 4.25 -0.82 -1.00 4.42 5.85 -1.42 0.50 115.31 127.09 3i1t h LEU 38 Ca -0.48 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.46 3i1t h LEU 38 Cb 1.22 0.33 -0.08 0.00 0.37 0.00 0.00 40.66 42.50 3i1t h LEU 38 CO 0.72 -0.36 0.63 -0.65 -0.34 0.00 0.00 178.44 178.45 3i1t h PRO 39 N -0.45 0.99 -0.02 5.25 0.11 -1.92 0.26 132.00 136.21 3i1t h PRO 39 Ca 0.05 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 3i1t h PRO 39 Cb 0.52 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3i1t h PRO 39 CO -0.21 0.66 -0.77 -0.22 -0.21 0.00 0.00 178.00 177.24 3i1t h LYS 40 N 1.02 0.21 0.02 1.05 3.64 -1.72 -2.82 116.57 117.97 3i1t h LYS 40 Ca 0.49 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3i1t h LYS 40 Cb 0.44 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3i1t h LYS 40 CO -0.25 0.88 -0.01 0.00 -2.27 0.00 0.00 179.45 177.79 3i1t h ALA 41 N 1.06 -0.03 -0.89 5.00 0.00 0.28 -1.65 119.26 123.03 3i1t h ALA 41 Ca -0.03 -0.31 0.19 0.00 0.00 0.00 0.00 54.91 54.76 3i1t h ALA 41 Cb 1.35 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 3i1t h ALA 41 CO 0.12 -0.20 0.58 0.87 0.00 0.00 0.00 179.25 180.62 3i1t h LYS 42 N -0.67 0.46 -0.18 0.00 1.57 -0.99 0.35 116.57 117.11 3i1t h LYS 42 Ca -0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3i1t h LYS 42 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3i1t h LYS 42 CO 0.01 0.31 -0.04 0.93 -0.57 0.00 0.00 179.45 180.08 3i1t h GLU 43 N 0.48 0.34 0.00 3.15 4.39 -1.47 -3.05 114.58 118.42 3i1t h GLU 43 Ca 0.46 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 60.03 3i1t h GLU 43 Cb 1.04 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3i1t h GLU 43 CO -0.19 0.61 0.08 1.25 -1.16 0.00 0.00 179.01 179.60 3i1t h LEU 44 N 0.06 0.00 -0.07 1.33 5.85 0.67 -0.84 115.31 122.30 3i1t h LEU 44 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3i1t h LEU 44 Cb 0.48 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3i1t h LEU 44 CO 0.02 0.00 -0.01 0.03 -0.34 0.00 0.00 178.44 178.14 3i1t h ARG 45 N 0.00 0.14 0.00 1.25 3.08 -1.29 -1.08 114.38 116.48 3i1t h ARG 45 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3i1t h ARG 45 Cb 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3i1t h ARG 45 CO 0.00 0.44 0.00 0.54 -1.07 0.00 0.00 179.97 179.88 3i1t n ARG 46 N -4.82 0.23 0.02 0.04 1.74 -0.32 -1.66 116.66 111.89 3i1t n ARG 46 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3i1t n ARG 46 Cb 0.21 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3i1t n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1t n VAL 47 N -0.53 0.26 -0.18 1.55 0.31 -1.11 -4.63 118.33 114.00 3i1t n VAL 47 Ca 0.00 0.09 -0.04 0.00 -0.01 0.00 0.00 64.34 64.38 3i1t n VAL 47 Cb 0.00 -1.22 0.05 0.00 -0.91 0.00 0.00 33.84 31.77 3i1t n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i1t h VAL 48 N 0.00 0.99 -0.27 2.52 2.07 -1.01 -3.00 116.25 117.54 3i1t h VAL 48 Ca 0.00 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3i1t h VAL 48 Cb 0.49 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3i1t h VAL 48 CO 0.00 0.10 -0.17 -0.33 0.02 0.00 0.00 177.57 177.19 3i1t h GLU 49 N 0.56 0.60 -0.22 1.57 5.08 -1.56 -2.58 114.58 118.03 3i1t h GLU 49 Ca 0.23 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3i1t h GLU 49 Cb 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3i1t h GLU 49 CO -0.14 0.86 0.07 -1.35 -1.00 0.00 0.00 179.01 177.45 3i1t h PRO 50 N 0.34 0.30 0.00 2.33 0.11 -1.77 -0.56 132.00 132.75 3i1t h PRO 50 Ca 0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3i1t h PRO 50 Cb 0.70 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3i1t h PRO 50 CO 0.05 0.27 0.00 1.28 -0.21 0.00 0.00 178.00 179.39 3i1t n LEU 51 N -4.43 0.00 -0.04 2.35 4.77 -0.98 -1.89 117.00 116.78 3i1t n LEU 51 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3i1t n LEU 51 Cb 0.13 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3i1t n LEU 51 CO 0.36 0.00 -0.79 -0.38 -1.33 0.00 0.00 177.39 175.25 3i1t n ILE 52 N -0.97 0.57 0.19 -0.08 5.41 -0.23 -3.42 119.36 120.82 3i1t n ILE 52 Ca 0.08 -0.39 0.07 0.00 1.00 0.00 0.00 62.75 63.51 3i1t n ILE 52 Cb 0.04 -0.59 0.19 0.00 -0.71 0.00 0.00 39.64 38.57 3i1t n ILE 52 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3i1t h THR 53 N 0.00 0.54 0.00 1.39 2.02 -1.20 0.23 112.91 115.89 3i1t h THR 53 Ca -0.23 -1.58 -0.11 0.00 0.77 0.00 0.00 66.41 65.26 3i1t h THR 53 Cb 1.44 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.95 3i1t h THR 53 CO 0.01 0.28 -1.69 0.00 0.37 0.00 0.00 175.52 174.49 3i1t n LEU 54 N -3.23 0.42 0.00 2.58 -0.00 -1.13 -3.74 117.00 111.90 3i1t n LEU 54 Ca 0.02 0.18 0.13 0.00 -0.00 0.00 0.00 56.01 56.34 3i1t n LEU 54 Cb 0.59 0.09 0.67 0.00 -0.00 0.00 0.00 43.42 44.78 3i1t n LEU 54 CO 0.37 0.09 0.96 0.00 -0.00 0.00 0.00 177.39 178.80 3i1t n ALA 55 N -2.37 2.34 0.38 1.47 0.00 -1.01 -2.85 120.51 118.48 3i1t n ALA 55 Ca -0.10 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3i1t n ALA 55 Cb 0.74 -1.44 0.29 0.00 0.00 0.00 0.00 19.45 19.04 3i1t n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1t h LYS 56 N 0.00 0.00 0.00 0.00 3.64 -0.63 -3.10 116.57 116.48 3i1t h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1t h LYS 56 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3i1t h LYS 56 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 3i1t n THR 57 N -2.76 0.00 0.00 1.00 -2.24 -1.13 -4.76 114.28 104.39 3i1t n THR 57 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3i1t n THR 57 Cb 0.48 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3i1t n THR 57 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i1t n ASP 58 N 0.00 0.00 -1.02 3.42 4.64 -1.26 -4.79 116.55 117.54 3i1t n ASP 58 Ca 0.00 0.00 0.08 0.00 -1.38 0.00 0.00 54.79 53.49 3i1t n ASP 58 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.03 3i1t n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3i1t n SER 59 N 0.00 -5.52 0.26 1.67 2.88 -1.26 -3.35 113.62 108.30 3i1t n SER 59 Ca 0.00 1.10 0.18 0.00 -1.33 0.00 0.00 58.87 58.82 3i1t n SER 59 Cb 0.00 -3.35 0.92 0.00 -0.75 0.00 0.00 64.21 61.03 3i1t n SER 59 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3i1t h VAL 60 N -0.64 0.00 0.00 2.46 -1.51 -2.02 -3.21 116.25 111.33 3i1t h VAL 60 Ca -0.10 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3i1t h VAL 60 Cb 0.86 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3i1t h VAL 60 CO 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.38 3i1t n ALA 61 N -1.96 -0.25 -2.54 5.19 0.00 -1.26 -4.28 120.51 115.40 3i1t n ALA 61 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 3i1t n ALA 61 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 3i1t n ALA 61 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i1t s ASN 62 N -2.08 7.15 0.00 0.00 0.01 -1.21 -1.96 114.94 116.84 3i1t s ASN 62 Ca 0.00 1.76 0.00 0.00 -0.71 0.00 0.00 52.86 53.91 3i1t s ASN 62 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 3i1t s ASN 62 CO 0.00 -0.49 0.00 -1.14 -1.51 0.00 0.00 177.10 173.96 3i1t n ARG 63 N 4.77 0.00 0.01 -0.60 3.00 -1.26 -4.50 116.66 118.07 3i1t n ARG 63 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.92 3i1t n ARG 63 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.93 3i1t n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i1t n ARG 64 N 0.00 0.15 -0.27 -0.14 1.74 -0.83 -3.43 116.66 113.87 3i1t n ARG 64 Ca 0.00 0.06 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 3i1t n ARG 64 Cb 0.00 -0.74 0.23 0.00 -1.02 0.00 0.00 32.46 30.94 3i1t n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i1t h LEU 65 N -0.28 0.91 -0.45 0.55 4.07 -1.81 1.28 115.31 119.59 3i1t h LEU 65 Ca 0.00 -0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 3i1t h LEU 65 Cb 0.28 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3i1t h LEU 65 CO 0.00 0.62 -0.70 0.00 -1.08 0.00 0.00 178.44 177.28 3i1t h ALA 66 N 1.50 0.64 -0.08 1.53 0.00 -1.82 -3.20 119.26 117.83 3i1t h ALA 66 Ca 0.34 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3i1t h ALA 66 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i1t h ALA 66 CO -0.10 0.76 0.00 0.35 0.00 0.00 0.00 179.25 180.26 3i1t h PHE 67 N 0.27 0.15 -0.38 0.00 3.04 -1.06 -3.28 116.94 115.69 3i1t h PHE 67 Ca -0.02 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.94 3i1t h PHE 67 Cb 1.26 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 39.68 3i1t h PHE 67 CO 0.04 0.39 -0.31 0.00 -2.02 0.00 0.00 178.31 176.41 3i1t h ALA 68 N 0.75 -0.43 -2.50 2.41 0.00 0.15 -2.69 119.26 116.95 3i1t h ALA 68 Ca 0.02 0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.43 3i1t h ALA 68 Cb 0.32 1.07 0.02 0.00 0.00 0.00 0.00 17.79 19.20 3i1t h ALA 68 CO 0.00 -0.61 0.81 -0.98 0.00 0.00 0.00 179.25 178.48 3i1t s ARG 69 N -4.38 4.28 -0.65 0.00 3.03 -1.21 -3.46 118.95 116.57 3i1t s ARG 69 Ca -0.07 2.13 -0.07 0.00 2.03 0.00 0.00 55.73 59.75 3i1t s ARG 69 Cb 0.05 -3.36 0.01 0.00 -1.03 0.00 0.00 34.95 30.62 3i1t s ARG 69 CO 0.33 -0.54 0.66 2.41 -1.13 0.00 0.00 175.30 177.03 3i1t n THR 70 N 4.23 -8.94 -1.55 4.99 -1.04 -1.25 -4.77 114.28 105.95 3i1t n THR 70 Ca 0.13 0.12 -0.24 0.00 -2.04 0.00 0.00 64.05 62.03 3i1t n THR 70 Cb 0.42 -6.19 -0.07 0.00 -1.82 0.00 0.00 70.33 62.67 3i1t n THR 70 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i1t n ARG 71 N -1.38 0.65 -3.15 -2.82 0.63 -1.01 -4.77 116.66 104.80 3i1t n ARG 71 Ca -0.02 -0.44 0.05 0.00 -0.92 0.00 0.00 57.85 56.52 3i1t n ARG 71 Cb 0.53 -3.26 -0.01 0.00 0.45 0.00 0.00 32.46 30.17 3i1t n ARG 71 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3i1t s ASP 72 N 10.36 -0.74 0.47 6.15 3.68 -1.26 -5.02 116.67 130.31 3i1t s ASP 72 Ca 1.01 0.41 0.29 0.00 2.13 0.00 0.00 52.55 56.39 3i1t s ASP 72 Cb -0.27 1.60 0.97 0.00 -1.45 0.00 0.00 42.92 43.76 3i1t s ASP 72 CO 0.21 -0.14 1.83 0.78 0.13 0.00 0.00 175.17 177.98 3i1t h ASN 73 N 7.94 0.00 -0.51 -0.34 4.21 -1.96 -1.90 115.58 123.03 3i1t h ASN 73 Ca -0.15 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.46 3i1t h ASN 73 Cb 1.17 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.34 3i1t h ASN 73 CO 0.00 0.00 0.35 -0.08 -1.29 0.00 0.00 177.43 176.41 3i1t h GLU 74 N 0.00 0.26 0.00 0.81 4.81 -1.97 -1.11 114.58 117.38 3i1t h GLU 74 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i1t h GLU 74 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3i1t h GLU 74 CO 0.00 0.17 -1.86 0.44 -0.73 0.00 0.00 179.01 177.04 3i1t n ILE 75 N -4.46 0.00 0.34 2.32 -6.64 -0.82 -2.97 119.36 107.14 3i1t n ILE 75 Ca 0.08 -0.43 0.15 0.00 -1.77 0.00 0.00 62.75 60.78 3i1t n ILE 75 Cb 0.39 0.10 0.55 0.00 -1.44 0.00 0.00 39.64 39.23 3i1t n ILE 75 CO 0.00 0.00 0.00 -0.37 -1.77 0.00 0.00 176.55 174.41 3i1t h VAL 76 N 0.00 0.00 0.12 7.28 -1.51 -1.13 -1.20 116.25 119.80 3i1t h VAL 76 Ca 0.00 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 3i1t h VAL 76 Cb 0.89 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3i1t h VAL 76 CO 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 176.28 3i1t h ALA 77 N 2.13 -0.18 -0.01 5.19 0.00 -1.28 -3.30 119.26 121.81 3i1t h ALA 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i1t h ALA 77 Cb 0.54 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i1t h ALA 77 CO 0.00 -0.17 0.10 -0.22 0.00 0.00 0.00 179.25 178.96 3i1t h LYS 78 N -0.85 0.00 -6.30 0.00 1.63 -1.53 -3.28 116.57 106.23 3i1t h LYS 78 Ca -0.02 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.28 3i1t h LYS 78 Cb 0.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3i1t h LYS 78 CO 0.03 0.00 -0.32 -0.51 -3.45 0.00 0.00 179.45 175.20 3i1t s LEU 79 N -6.18 4.19 0.00 5.20 1.43 -0.46 -2.64 118.68 120.22 3i1t s LEU 79 Ca -0.05 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3i1t s LEU 79 Cb 0.12 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3i1t s LEU 79 CO 0.39 -0.12 0.00 0.49 0.23 0.00 0.00 176.35 177.33 3i1t n PHE 80 N -1.17 0.00 -0.40 0.29 3.72 -1.17 -4.37 117.46 114.36 3i1t n PHE 80 Ca -0.06 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.30 3i1t n PHE 80 Cb 0.55 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.30 3i1t n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3i1t n ASN 81 N 2.10 3.93 0.00 4.37 4.13 -1.24 -4.11 115.26 124.44 3i1t n ASN 81 Ca 0.00 -2.84 0.00 0.00 1.68 0.00 0.00 54.58 53.42 3i1t n ASN 81 Cb 0.00 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 3i1t n ASN 81 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3i1t n GLU 82 N -0.04 0.00 -0.09 3.52 2.13 -1.25 -4.96 120.64 119.94 3i1t n GLU 82 Ca 0.29 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.06 3i1t n GLU 82 Cb 1.08 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.95 3i1t n GLU 82 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i1t h LEU 83 N 0.00 0.73 -0.39 4.31 4.07 -1.77 0.14 115.31 122.40 3i1t h LEU 83 Ca 0.00 -0.19 0.07 0.00 0.08 0.00 0.00 57.88 57.84 3i1t h LEU 83 Cb 0.00 -0.20 -0.09 0.00 1.08 0.00 0.00 40.66 41.46 3i1t h LEU 83 CO 0.00 0.82 -0.43 1.23 -1.08 0.00 0.00 178.44 178.99 3i1t h GLY 84 N 0.97 -0.56 0.61 0.83 0.00 -1.71 0.49 103.07 103.70 3i1t h GLY 84 Ca 0.13 0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.99 3i1t h GLY 84 CO 0.02 -0.18 -0.20 -2.55 0.00 0.00 0.00 176.54 173.63 3i1t h PRO 85 N -0.34 -0.54 -0.33 4.80 0.11 -1.67 -2.13 132.00 131.90 3i1t h PRO 85 Ca 0.13 0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.38 3i1t h PRO 85 Cb 0.58 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3i1t h PRO 85 CO -0.56 -0.24 0.36 0.00 -0.21 0.00 0.00 178.00 177.35 3i1t h ARG 86 N -0.96 0.00 -0.03 1.05 3.08 -0.62 0.13 114.38 117.02 3i1t h ARG 86 Ca -0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3i1t h ARG 86 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3i1t h ARG 86 CO 0.09 0.00 -0.40 1.19 -1.07 0.00 0.00 179.97 179.78 3i1t n PHE 87 N -3.75 0.10 0.02 3.04 3.72 0.15 -4.64 117.46 116.11 3i1t n PHE 87 Ca 0.05 -1.45 -0.20 0.00 -0.05 0.00 0.00 57.45 55.80 3i1t n PHE 87 Cb 0.51 -0.26 -0.14 0.00 -0.94 0.00 0.00 39.48 38.65 3i1t n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1t h ALA 88 N 0.89 0.03 -0.72 4.37 0.00 -0.03 -3.27 119.26 120.53 3i1t h ALA 88 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 54.91 54.14 3i1t h ALA 88 Cb 1.06 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3i1t h ALA 88 CO 0.04 0.52 0.42 0.66 0.00 0.00 0.00 179.25 180.88 3i1t h SER 89 N -0.44 0.64 -3.68 0.00 4.64 -1.82 -3.44 113.55 109.45 3i1t h SER 89 Ca -0.20 0.02 -0.44 0.00 -0.47 0.00 0.00 61.79 60.71 3i1t h SER 89 Cb 1.61 -0.10 0.18 0.00 -0.31 0.00 0.00 62.40 63.77 3i1t h SER 89 CO 0.09 0.41 0.15 -0.60 -0.87 0.00 0.00 176.83 176.01 3i1t s ARG 90 N -6.09 -0.33 -0.41 4.77 3.52 -1.24 -5.04 118.95 114.13 3i1t s ARG 90 Ca -0.13 0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3i1t s ARG 90 Cb 0.17 -1.66 0.26 0.00 -1.56 0.00 0.00 34.95 32.16 3i1t s ARG 90 CO 0.77 -3.20 1.08 0.00 -0.81 0.00 0.00 175.30 173.13 3i1t n ALA 91 N -4.48 -2.35 0.00 6.12 0.00 -1.26 -5.00 120.51 113.54 3i1t n ALA 91 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3i1t n ALA 91 Cb 0.58 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3i1t n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 92 N 1.44 -0.67 3.56 0.00 0.00 -1.26 -5.06 105.19 103.19 3i1t n GLY 92 Ca 0.05 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3i1t n GLY 92 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1t s GLY 93 N 0.00 1.38 -0.03 -0.02 0.00 -1.26 -4.69 107.32 102.70 3i1t s GLY 93 Ca 0.00 -2.44 0.12 0.00 0.00 0.00 0.00 44.72 42.40 3i1t s GLY 93 CO 0.00 2.68 1.29 -1.72 0.00 0.00 0.00 173.10 175.34 3i1t n TYR 94 N 8.68 0.71 -3.85 1.90 4.01 -1.26 -4.75 117.16 122.60 3i1t n TYR 94 Ca 0.37 -0.31 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 3i1t n TYR 94 Cb 0.50 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 3i1t n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3i1t s THR 95 N -1.56 0.07 0.11 -0.72 -1.32 -1.26 -2.34 115.64 108.61 3i1t s THR 95 Ca 0.29 -0.55 0.09 0.00 -1.21 0.00 0.00 61.69 60.31 3i1t s THR 95 Cb 0.17 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.71 3i1t s THR 95 CO 0.17 -0.30 -0.22 -0.60 -2.21 0.00 0.00 174.62 171.46 3i1t s ARG 96 N -1.11 1.17 -0.23 7.08 6.06 -0.15 -4.82 118.95 126.94 3i1t s ARG 96 Ca -0.12 -1.20 0.01 0.00 -2.50 0.00 0.00 55.73 51.93 3i1t s ARG 96 Cb -0.06 -1.46 -0.19 0.00 0.06 0.00 0.00 34.95 33.30 3i1t s ARG 96 CO 0.02 0.34 -0.10 0.44 -2.50 0.00 0.00 175.30 173.49 3i1t n ILE 97 N 1.04 1.54 -3.19 4.11 -5.35 -1.26 -2.22 119.36 114.02 3i1t n ILE 97 Ca -0.19 -0.60 -0.13 0.00 -0.27 0.00 0.00 62.75 61.56 3i1t n ILE 97 Cb 0.54 -1.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.00 3i1t n ILE 97 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i1t n LEU 98 N -3.28 -0.86 -4.72 7.28 4.32 -1.25 -2.44 117.00 116.05 3i1t n LEU 98 Ca -0.43 -0.50 -0.42 0.00 -0.02 0.00 0.00 56.01 54.64 3i1t n LEU 98 Cb 1.01 -0.80 -0.04 0.00 -1.62 0.00 0.00 43.42 41.98 3i1t n LEU 98 CO 0.30 0.22 0.72 -1.59 -1.22 0.00 0.00 177.39 175.82 3i1t s LYS 99 N -3.62 4.59 0.00 3.23 -2.85 -1.26 -1.80 119.74 118.03 3i1t s LYS 99 Ca 0.01 1.52 0.00 0.00 -1.00 0.00 0.00 55.97 56.50 3i1t s LYS 99 Cb -0.01 -3.39 0.00 0.00 -2.06 0.00 0.00 37.83 32.37 3i1t s LYS 99 CO 0.45 0.02 0.00 0.00 0.10 0.00 0.00 175.35 175.92 3i1t n GLY 101 N 2.41 4.18 2.44 0.00 0.00 -1.20 -4.93 105.19 108.10 3i1t n GLY 101 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 3i1t n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1t n PHE 102 N -1.49 -4.36 -2.60 1.61 3.72 -1.20 -4.68 117.46 108.45 3i1t n PHE 102 Ca 0.00 2.56 -0.25 0.00 -0.05 0.00 0.00 57.45 59.71 3i1t n PHE 102 Cb 0.00 -3.78 0.02 0.00 -0.94 0.00 0.00 39.48 34.78 3i1t n PHE 102 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i1t s ARG 103 N -0.70 2.99 0.00 -1.08 3.52 -0.39 -4.84 118.95 118.46 3i1t s ARG 103 Ca -0.19 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 3i1t s ARG 103 Cb 0.01 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 3i1t s ARG 103 CO 0.51 -0.53 0.17 0.00 -0.81 0.00 0.00 175.30 174.64 3i1t n ALA 104 N -2.40 0.00 -0.13 6.12 0.00 -1.26 -4.36 120.51 118.48 3i1t n ALA 104 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i1t n ALA 104 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i1t n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 105 N -0.23 -2.70 3.74 0.00 0.00 -1.26 -4.56 105.19 100.19 3i1t n GLY 105 Ca 0.00 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3i1t n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i1t s ASP 106 N -2.27 7.47 -1.26 1.61 1.47 -1.26 -4.96 116.67 117.47 3i1t s ASP 106 Ca 0.00 1.99 -0.18 0.00 1.18 0.00 0.00 52.55 55.54 3i1t s ASP 106 Cb 0.00 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 3i1t s ASP 106 CO 0.00 -0.03 1.97 -3.20 0.68 0.00 0.00 175.17 174.59 3i1t n ASN 107 N 1.97 3.92 -4.24 2.11 4.05 -1.26 -3.92 115.26 117.89 3i1t n ASN 107 Ca 0.00 -2.82 -0.31 0.00 0.45 0.00 0.00 54.58 51.90 3i1t n ASN 107 Cb 0.47 -1.62 -0.17 0.00 1.23 0.00 0.00 39.78 39.70 3i1t n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1t s ALA 108 N 4.97 2.14 -0.25 5.20 0.00 -1.26 -4.83 121.76 127.72 3i1t s ALA 108 Ca 0.54 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 3i1t s ALA 108 Cb 0.08 -0.73 -0.06 0.00 0.00 0.00 0.00 23.12 22.41 3i1t s ALA 108 CO 0.04 0.35 2.23 -0.35 0.00 0.00 0.00 175.76 178.02 3i1t n PRO 109 N 3.25 1.77 -2.78 0.00 -0.04 -1.26 -1.26 135.00 134.69 3i1t n PRO 109 Ca -0.18 0.47 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 3i1t n PRO 109 Cb 0.52 -3.09 0.03 0.00 -0.04 0.00 0.00 33.50 30.92 3i1t n PRO 109 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i1t s MET 110 N 6.39 2.67 0.00 0.54 -1.94 -1.26 -1.34 119.30 124.35 3i1t s MET 110 Ca 1.03 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 54.14 3i1t s MET 110 Cb -0.43 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 33.84 3i1t s MET 110 CO 0.38 -0.56 0.00 0.00 -0.01 0.00 0.00 175.02 174.83 3i1t n ALA 111 N -2.19 0.00 -3.06 3.03 0.00 0.63 -3.24 120.51 115.69 3i1t n ALA 111 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 3i1t n ALA 111 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 3i1t n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1t n TYR 112 N 0.00 -1.67 -2.63 0.00 4.01 -0.75 -2.83 117.16 113.29 3i1t n TYR 112 Ca 0.00 -2.78 -0.42 0.00 -0.16 0.00 0.00 57.90 54.54 3i1t n TYR 112 Cb 0.00 0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 3i1t n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3i1t s ILE 113 N -0.23 4.66 0.04 -0.72 2.07 -0.64 -3.95 121.20 122.44 3i1t s ILE 113 Ca 0.33 1.94 -0.08 0.00 -1.41 0.00 0.00 60.65 61.43 3i1t s ILE 113 Cb 0.15 -4.25 -0.00 0.00 0.13 0.00 0.00 42.46 38.49 3i1t s ILE 113 CO -0.16 -0.01 0.16 -0.70 -1.91 0.00 0.00 174.94 172.32 3i1t s GLU 114 N 2.17 0.68 0.27 3.50 -6.30 -0.94 -0.11 118.70 117.96 3i1t s GLU 114 Ca 0.50 -0.70 -0.30 0.00 -2.50 0.00 0.00 54.97 51.97 3i1t s GLU 114 Cb -0.19 0.28 -0.10 0.00 0.00 0.00 0.00 34.13 34.11 3i1t s GLU 114 CO 0.18 -0.19 1.36 -0.51 0.02 0.00 0.00 175.26 176.11 3i1t s LEU 115 N -2.18 4.41 0.30 2.70 1.43 -0.84 -0.98 118.68 123.53 3i1t s LEU 115 Ca -0.04 2.60 0.03 0.00 -1.03 0.00 0.00 54.13 55.69 3i1t s LEU 115 Cb -0.00 -3.63 0.60 0.00 0.03 0.00 0.00 46.19 43.19 3i1t s LEU 115 CO -0.05 -0.59 1.87 0.58 0.23 0.00 0.00 176.35 178.38 3i1t h VAL 116 N 3.41 0.95 -0.29 -1.59 2.07 -1.76 -2.10 116.25 116.94 3i1t h VAL 116 Ca -0.47 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 66.56 3i1t h VAL 116 Cb 1.22 -0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 3i1t h VAL 116 CO 0.73 0.17 0.21 -0.90 0.02 0.00 0.00 177.57 177.81 3i1t n ASP 117 N -4.57 4.18 -1.48 0.57 3.85 -1.26 -4.39 116.55 113.45 3i1t n ASP 117 Ca 0.17 -2.58 -0.08 0.00 -0.71 0.00 0.00 54.79 51.59 3i1t n ASP 117 Cb 0.33 -0.77 0.05 0.00 -1.35 0.00 0.00 41.12 39.38 3i1t n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3i1t n ARG 118 N 0.29 1.42 -0.84 0.11 0.63 -0.79 -4.74 116.66 112.74 3i1t n ARG 118 Ca 0.18 -0.94 -0.25 0.00 -0.92 0.00 0.00 57.85 55.91 3i1t n ARG 118 Cb 0.74 -1.37 -0.02 0.00 0.45 0.00 0.00 32.46 32.26 3i1t n ARG 118 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3i1t n SER 119 N 0.21 5.31 0.00 6.15 3.41 -1.26 -5.10 113.62 122.34 3i1t n SER 119 Ca 0.19 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 3i1t n SER 119 Cb 0.77 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3i1t n SER 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09