#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itl n HIS 1 N 0.00 0.00 -2.68 2.03 -0.00 -1.26 -3.87 115.22 109.44 1itl n HIS 1 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.67 1itl n HIS 1 Cb 0.00 0.14 0.06 0.00 -0.00 0.00 0.00 29.99 30.19 1itl n HIS 1 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1itl n LYS 2 N 0.00 0.63 0.00 1.57 4.81 -1.26 -5.01 118.16 118.90 1itl n LYS 2 Ca 0.00 -1.23 0.00 0.00 -0.87 0.00 0.00 58.31 56.21 1itl n LYS 2 Cb 0.33 -0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.24 1itl n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1itl s ASP 4 N -1.88 6.22 0.15 0.00 -1.08 -1.26 -4.94 116.67 113.88 1itl s ASP 4 Ca 0.00 -0.99 0.03 0.00 -0.52 0.00 0.00 52.55 51.08 1itl s ASP 4 Cb 0.00 -2.32 0.43 0.00 -1.46 0.00 0.00 42.92 39.57 1itl s ASP 4 CO 0.00 -1.03 0.75 -0.38 0.52 0.00 0.00 175.17 175.03 1itl n ILE 5 N 5.69 -0.20 -0.26 4.11 2.08 -1.25 -0.15 119.36 129.38 1itl n ILE 5 Ca -0.06 1.02 0.05 0.00 0.56 0.00 0.00 62.75 64.32 1itl n ILE 5 Cb 0.45 -1.54 0.15 0.00 -0.75 0.00 0.00 39.64 37.95 1itl n ILE 5 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1itl h THR 6 N 0.00 0.33 -0.03 1.39 2.02 -1.93 -2.55 112.91 112.14 1itl h THR 6 Ca 0.32 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.47 1itl h THR 6 Cb 0.71 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1itl h THR 6 CO -0.43 0.02 -0.10 -0.07 0.37 0.00 0.00 175.52 175.31 1itl h LEU 7 N 0.09 -0.32 -0.92 2.58 -0.00 -0.96 0.99 115.31 116.77 1itl h LEU 7 Ca 0.41 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 58.48 1itl h LEU 7 Cb 0.71 0.12 -0.16 0.00 -0.00 0.00 0.00 40.66 41.33 1itl h LEU 7 CO -0.67 -0.09 -0.31 1.67 -0.00 0.00 0.00 178.44 179.04 1itl n GLN 8 N -3.10 -0.16 0.20 1.13 7.27 -0.97 -0.42 117.38 121.33 1itl n GLN 8 Ca -0.01 1.42 -0.15 0.00 0.07 0.00 0.00 57.00 58.33 1itl n GLN 8 Cb 0.07 -2.11 -0.08 0.00 2.41 0.00 0.00 30.24 30.52 1itl n GLN 8 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1itl h GLU 9 N 0.00 -0.45 -0.34 3.69 4.57 -1.40 -3.03 114.58 117.62 1itl h GLU 9 Ca 0.37 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.62 1itl h GLU 9 Cb 0.60 0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.22 1itl h GLU 9 CO -0.92 -0.24 -0.47 0.82 -1.18 0.00 0.00 179.01 177.01 1itl h ILE 10 N -0.56 0.00 -0.20 2.32 2.04 0.15 -1.55 117.51 119.72 1itl h ILE 10 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1itl h ILE 10 Cb 0.42 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1itl h ILE 10 CO 0.08 0.00 -0.12 -0.38 0.00 0.00 0.00 178.15 177.73 1itl n ILE 11 N -4.95 -0.13 -0.21 -0.67 5.41 0.44 -0.25 119.36 119.00 1itl n ILE 11 Ca -0.03 1.53 0.01 0.00 1.00 0.00 0.00 62.75 65.26 1itl n ILE 11 Cb 0.29 -1.99 0.10 0.00 -0.71 0.00 0.00 39.64 37.32 1itl n ILE 11 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1itl h LYS 12 N 0.00 0.08 -0.10 0.38 1.57 -1.34 0.76 116.57 117.91 1itl h LYS 12 Ca 0.03 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1itl h LYS 12 Cb 0.08 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1itl h LYS 12 CO -0.19 0.05 -0.09 1.15 -0.57 0.00 0.00 179.45 179.81 1itl h THR 13 N 0.08 0.75 0.09 -0.16 2.02 0.41 -2.89 112.91 113.21 1itl h THR 13 Ca 0.33 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 1itl h THR 13 Cb 0.53 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1itl h THR 13 CO -0.58 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.20 1itl h LEU 14 N -0.10 -0.10 -0.85 2.58 4.07 0.26 -3.17 115.31 117.99 1itl h LEU 14 Ca 0.07 -0.07 0.09 0.00 0.08 0.00 0.00 57.88 58.05 1itl h LEU 14 Cb 0.20 0.03 -0.11 0.00 1.08 0.00 0.00 40.66 41.85 1itl h LEU 14 CO -0.16 0.00 -0.45 0.59 -1.08 0.00 0.00 178.44 177.34 1itl n ASN 15 N -5.11 -0.79 0.12 -0.43 5.03 0.17 -2.45 115.26 111.81 1itl n ASN 15 Ca -0.08 1.50 -0.07 0.00 0.87 0.00 0.00 54.58 56.80 1itl n ASN 15 Cb 0.11 -0.24 -0.04 0.00 -1.02 0.00 0.00 39.78 38.59 1itl n ASN 15 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1itl h SER 16 N 0.00 -0.56 -0.89 6.41 0.87 -1.48 -1.40 113.55 116.50 1itl h SER 16 Ca 0.19 0.04 0.28 0.00 -1.23 0.00 0.00 61.79 61.07 1itl h SER 16 Cb 0.40 0.18 -0.16 0.00 -0.44 0.00 0.00 62.40 62.38 1itl h SER 16 CO -0.81 -0.27 0.13 0.18 -0.53 0.00 0.00 176.83 175.52 1itl n LEU 17 N -3.57 -0.00 -0.04 2.23 4.77 -1.02 -0.88 117.00 118.48 1itl n LEU 17 Ca -0.05 1.50 -0.11 0.00 -0.03 0.00 0.00 56.01 57.32 1itl n LEU 17 Cb 0.19 -0.59 -0.09 0.00 -2.33 0.00 0.00 43.42 40.59 1itl n LEU 17 CO 0.11 -1.56 0.35 0.71 -1.33 0.00 0.00 177.39 175.66 1itl h THR 18 N 0.00 1.26 -0.68 -5.08 1.35 -1.50 -3.34 112.91 104.92 1itl h THR 18 Ca 0.59 -1.77 0.10 0.00 -0.55 0.00 0.00 66.41 64.78 1itl h THR 18 Cb 1.33 2.30 -0.10 0.00 -1.73 0.00 0.00 68.15 69.95 1itl h THR 18 CO -0.80 0.40 -0.29 1.21 -0.25 0.00 0.00 175.52 175.79 1itl n GLU 19 N -4.72 -0.18 -3.83 4.72 4.07 -0.06 -2.91 120.64 117.74 1itl n GLU 19 Ca -0.08 1.04 -0.34 0.00 -0.06 0.00 0.00 57.16 57.72 1itl n GLU 19 Cb 0.33 -1.54 -0.12 0.00 -0.06 0.00 0.00 31.44 30.05 1itl n GLU 19 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1itl s GLN 20 N -5.60 2.10 0.53 5.31 -0.21 -0.83 -5.10 119.66 115.87 1itl s GLN 20 Ca -0.09 -2.21 -0.04 0.00 0.02 0.00 0.00 55.36 53.04 1itl s GLN 20 Cb 0.13 -3.53 -0.00 0.00 1.00 0.00 0.00 33.01 30.61 1itl s GLN 20 CO 0.47 -1.09 0.81 -1.59 -2.12 0.00 0.00 175.29 171.78 1itl s LYS 21 N 0.45 3.05 0.00 2.91 -2.85 -1.14 -4.75 119.74 117.41 1itl s LYS 21 Ca 0.13 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 1itl s LYS 21 Cb -0.22 -2.37 0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1itl s LYS 21 CO -0.04 -0.50 0.00 0.25 0.10 0.00 0.00 175.35 175.16 1itl n THR 22 N -2.38 0.00 0.95 3.79 -2.24 -1.26 -5.02 114.28 108.11 1itl n THR 22 Ca 0.03 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1itl n THR 22 Cb 0.57 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.95 1itl n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1itl n LEU 23 N 0.00 2.94 -0.07 3.22 4.32 -1.26 -4.06 117.00 122.09 1itl n LEU 23 Ca 0.00 -1.03 -0.04 0.00 -0.02 0.00 0.00 56.01 54.93 1itl n LEU 23 Cb 0.00 -0.03 -0.16 0.00 -1.62 0.00 0.00 43.42 41.60 1itl n LEU 23 CO 0.00 0.51 -1.02 0.00 -1.22 0.00 0.00 177.39 175.66 1itl n THR 25 N -2.61 0.00 -0.66 0.00 -2.24 -1.26 -2.30 114.28 105.21 1itl n THR 25 Ca -0.24 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1itl n THR 25 Cb 0.98 -0.15 0.19 0.00 -2.10 0.00 0.00 70.33 69.26 1itl n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1itl n GLU 26 N -0.40 2.73 -2.25 -0.78 4.71 -1.26 -1.43 120.64 121.96 1itl n GLU 26 Ca 0.00 -2.45 -0.41 0.00 -0.01 0.00 0.00 57.16 54.28 1itl n GLU 26 Cb 0.03 -1.56 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 1itl n GLU 26 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1itl n LEU 27 N -0.29 7.30 -1.17 -4.62 4.77 -0.97 -4.88 117.00 117.12 1itl n LEU 27 Ca 0.16 -4.83 -0.17 0.00 -0.03 0.00 0.00 56.01 51.14 1itl n LEU 27 Cb 0.67 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.33 1itl n LEU 27 CO 0.10 1.74 0.33 0.35 -1.33 0.00 0.00 177.39 178.58 1itl n THR 28 N 2.31 0.00 -4.16 -5.08 -2.24 -1.26 -4.72 114.28 99.12 1itl n THR 28 Ca 0.49 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 62.03 1itl n THR 28 Cb 0.30 -0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 1itl n THR 28 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1itl n VAL 29 N 1.19 0.00 -2.36 2.28 0.24 0.16 -4.85 118.33 114.99 1itl n VAL 29 Ca 0.10 -1.89 -0.42 0.00 -2.04 0.00 0.00 64.34 60.08 1itl n VAL 29 Cb -0.01 0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.43 1itl n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1itl s THR 30 N -2.38 3.82 -1.27 3.34 2.01 -1.26 -0.54 115.64 119.36 1itl s THR 30 Ca 0.15 1.32 -0.05 0.00 0.31 0.00 0.00 61.69 63.42 1itl s THR 30 Cb -0.01 -3.85 0.16 0.00 0.01 0.00 0.00 72.50 68.81 1itl s THR 30 CO 0.09 0.11 2.20 -0.67 -0.69 0.00 0.00 174.62 175.67 1itl n ASP 31 N 3.80 7.41 -0.36 3.53 -0.08 -0.53 -4.68 116.55 125.64 1itl n ASP 31 Ca 0.09 -3.21 0.36 0.00 -1.51 0.00 0.00 54.79 50.52 1itl n ASP 31 Cb 0.45 -1.35 0.59 0.00 2.34 0.00 0.00 41.12 43.15 1itl n ASP 31 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1itl h ILE 32 N 2.78 0.04 -0.75 5.18 -0.00 -1.85 0.02 117.51 122.93 1itl h ILE 32 Ca 0.61 0.00 0.17 0.00 -0.00 0.00 0.00 64.86 65.64 1itl h ILE 32 Cb 0.37 0.06 -0.05 0.00 -0.00 0.00 0.00 36.82 37.20 1itl h ILE 32 CO 1.46 0.00 0.51 -0.26 -0.00 0.00 0.00 178.15 179.86 1itl h PHE 33 N 0.00 0.35 -0.53 0.16 0.04 -1.89 -0.23 116.94 114.83 1itl h PHE 33 Ca 0.62 0.01 -0.29 0.00 2.80 0.00 0.00 57.97 61.11 1itl h PHE 33 Cb 3.07 -0.11 -0.16 0.00 2.20 0.00 0.00 35.95 40.95 1itl h PHE 33 CO 0.00 0.12 0.37 0.00 -0.60 0.00 0.00 178.31 178.21 1itl n ALA 34 N -2.56 4.36 0.00 2.45 0.00 -0.01 -4.05 120.51 120.70 1itl n ALA 34 Ca 0.15 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.98 1itl n ALA 34 Cb 0.62 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1itl n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1itl n ALA 35 N -0.27 1.35 1.53 0.00 0.00 -0.21 -4.84 120.51 118.07 1itl n ALA 35 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1itl n ALA 35 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 1itl n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1itl n SER 36 N -2.07 0.49 0.24 0.00 2.88 -0.56 -3.89 113.62 110.71 1itl n SER 36 Ca 0.00 -2.00 0.10 0.00 -1.33 0.00 0.00 58.87 55.63 1itl n SER 36 Cb 0.00 -0.23 0.67 0.00 -0.75 0.00 0.00 64.21 63.90 1itl n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1itl h LYS 37 N 0.04 0.00 -0.76 -1.46 1.57 -1.80 -1.99 116.57 112.17 1itl h LYS 37 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1itl h LYS 37 Cb 0.24 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.46 1itl h LYS 37 CO 0.00 0.00 0.19 0.09 -0.57 0.00 0.00 179.45 179.16 1itl n ASN 38 N -4.47 4.60 -0.26 0.86 3.02 -1.25 -4.91 115.26 112.84 1itl n ASN 38 Ca -0.02 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 1itl n ASN 38 Cb 0.14 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1itl n ASN 38 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1itl n THR 39 N 0.05 0.00 -3.96 3.41 -2.24 -0.75 -5.17 114.28 105.63 1itl n THR 39 Ca 0.33 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.90 1itl n THR 39 Cb 1.21 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 1itl n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1itl s THR 40 N -0.83 4.51 0.18 4.28 -4.23 -1.26 -5.02 115.64 113.26 1itl s THR 40 Ca 0.00 -1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 59.06 1itl s THR 40 Cb 0.00 -3.51 0.10 0.00 1.34 0.00 0.00 72.50 70.43 1itl s THR 40 CO 0.00 -0.30 1.59 -0.33 -0.54 0.00 0.00 174.62 175.05 1itl h GLU 41 N 1.30 -0.19 -0.53 3.99 3.07 -1.97 -1.83 114.58 118.42 1itl h GLU 41 Ca -0.49 0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.51 1itl h GLU 41 Cb 1.24 0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 29.09 1itl h GLU 41 CO 0.60 -0.12 -0.05 1.63 -1.40 0.00 0.00 179.01 179.66 1itl n LYS 42 N -5.42 -0.04 0.02 2.33 4.76 -1.26 0.55 118.16 119.08 1itl n LYS 42 Ca 0.03 0.80 -0.19 0.00 -2.87 0.00 0.00 58.31 56.08 1itl n LYS 42 Cb 0.34 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 1itl n LYS 42 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1itl h GLU 43 N 0.00 0.68 -0.67 1.97 5.08 -1.62 0.18 114.58 120.21 1itl h GLU 43 Ca 0.29 -0.67 0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1itl h GLU 43 Cb 0.53 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.86 1itl h GLU 43 CO -0.52 1.27 0.10 1.15 -1.00 0.00 0.00 179.01 180.01 1itl h THR 44 N 0.35 0.52 -0.20 1.13 2.02 0.28 0.40 112.91 117.41 1itl h THR 44 Ca -0.10 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 1itl h THR 44 Cb 1.54 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1itl h THR 44 CO 0.18 0.04 -0.39 -0.26 0.37 0.00 0.00 175.52 175.46 1itl h PHE 45 N 0.21 0.53 -0.25 3.16 0.04 -0.92 0.60 116.94 120.31 1itl h PHE 45 Ca 0.36 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 1itl h PHE 45 Cb 0.60 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1itl h PHE 45 CO -0.30 0.78 0.12 0.00 -0.60 0.00 0.00 178.31 178.31 1itl h ARG 47 N 0.28 0.38 -0.38 0.00 3.08 -1.25 -3.14 114.38 113.35 1itl h ARG 47 Ca 0.09 -0.30 0.04 0.00 0.07 0.00 0.00 59.98 59.88 1itl h ARG 47 Cb 0.11 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1itl h ARG 47 CO -0.01 0.93 -0.30 0.00 -1.07 0.00 0.00 179.97 179.52 1itl h ALA 48 N 0.46 -0.41 -0.46 0.04 0.00 -0.64 0.09 119.26 118.33 1itl h ALA 48 Ca -0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1itl h ALA 48 Cb 0.98 1.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 1itl h ALA 48 CO 0.07 -0.59 -0.42 0.00 0.00 0.00 0.00 179.25 178.31 1itl h ALA 49 N -0.42 -0.56 -0.60 0.00 0.00 -1.12 -0.55 119.26 116.01 1itl h ALA 49 Ca 0.06 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1itl h ALA 49 Cb 0.26 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1itl h ALA 49 CO -0.41 -0.80 -0.44 1.15 0.00 0.00 0.00 179.25 178.75 1itl h THR 50 N -0.18 0.00 -0.29 0.00 2.02 -1.33 0.84 112.91 113.97 1itl h THR 50 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1itl h THR 50 Cb 0.39 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.74 1itl h THR 50 CO -0.53 0.00 -0.38 0.58 0.37 0.00 0.00 175.52 175.56 1itl h VAL 51 N -0.11 0.00 -0.05 3.16 2.07 -0.16 -2.37 116.25 118.79 1itl h VAL 51 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.65 1itl h VAL 51 Cb 0.37 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1itl h VAL 51 CO -0.63 0.00 -0.20 0.25 0.02 0.00 0.00 177.57 177.01 1itl h LEU 52 N -0.27 -0.60 -0.70 2.57 7.12 -0.77 -1.83 115.31 120.83 1itl h LEU 52 Ca 0.05 0.09 0.07 0.00 0.13 0.00 0.00 57.88 58.22 1itl h LEU 52 Cb 0.40 0.26 -0.09 0.00 -0.53 0.00 0.00 40.66 40.70 1itl h LEU 52 CO -0.41 -0.26 -0.51 -0.09 -0.13 0.00 0.00 178.44 177.04 1itl h ARG 53 N -0.30 -0.12 -0.06 1.25 2.43 -0.61 0.55 114.38 117.53 1itl h ARG 53 Ca 0.07 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1itl h ARG 53 Cb 0.40 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1itl h ARG 53 CO -0.22 -0.08 -0.41 1.96 -1.51 0.00 0.00 179.97 179.71 1itl h GLN 54 N -0.12 -0.51 -0.22 0.20 1.08 -1.21 -1.53 115.11 112.79 1itl h GLN 54 Ca 0.11 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.37 1itl h GLN 54 Cb 0.42 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 1itl h GLN 54 CO -0.72 -0.34 -0.13 0.34 -0.95 0.00 0.00 178.83 177.03 1itl n PHE 55 N -5.44 -0.10 -0.00 2.96 -0.00 0.10 -0.65 117.46 114.32 1itl n PHE 55 Ca -0.05 0.28 -0.12 0.00 -0.00 0.00 0.00 57.45 57.56 1itl n PHE 55 Cb 0.36 -0.48 -0.07 0.00 -0.00 0.00 0.00 39.48 39.29 1itl n PHE 55 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 176.76 176.86 1itl h TYR 56 N 0.00 0.10 -0.98 -5.13 -0.00 -1.20 -2.24 116.97 107.52 1itl h TYR 56 Ca 0.04 -0.01 0.12 0.00 0.00 0.00 0.00 58.73 58.88 1itl h TYR 56 Cb 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 36.73 36.71 1itl h TYR 56 CO -0.87 0.22 0.62 1.03 -0.00 0.00 0.00 178.16 179.16 1itl h SER 57 N -0.04 0.88 0.29 0.10 0.87 -0.82 -2.53 113.55 112.30 1itl h SER 57 Ca 0.02 0.05 -0.34 0.00 -1.23 0.00 0.00 61.79 60.29 1itl h SER 57 Cb 0.16 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1itl h SER 57 CO -0.00 0.47 -1.65 -0.74 -0.53 0.00 0.00 176.83 174.38 1itl h HIS 58 N 0.95 0.67 -0.00 2.24 2.76 -0.89 -3.37 115.15 117.51 1itl h HIS 58 Ca 0.49 -0.49 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1itl h HIS 58 Cb 0.52 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1itl h HIS 58 CO -0.00 1.57 -0.08 0.72 -1.30 0.00 0.00 177.93 178.84 1itl n HIS 59 N -3.56 0.00 -0.29 5.26 8.25 -0.85 -4.26 115.22 119.77 1itl n HIS 59 Ca -0.21 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.33 1itl n HIS 59 Cb 1.07 -0.18 0.19 0.00 1.12 0.00 0.00 29.99 32.19 1itl n HIS 59 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1itl h GLU 60 N 0.45 0.07 -2.00 -0.41 5.08 -1.62 -1.62 114.58 114.54 1itl h GLU 60 Ca 0.00 -0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.74 1itl h GLU 60 Cb 0.32 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 29.15 1itl h GLU 60 CO 0.00 0.05 -0.49 1.63 -1.00 0.00 0.00 179.01 179.19 1itl n LYS 61 N -5.41 3.43 0.07 2.33 5.02 -1.26 -4.63 118.16 117.71 1itl n LYS 61 Ca 0.16 -4.67 0.12 0.00 -2.02 0.00 0.00 58.31 51.89 1itl n LYS 61 Cb 0.55 -2.26 0.04 0.00 -0.02 0.00 0.00 35.03 33.33 1itl n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1itl n ASP 62 N -0.33 0.70 -1.80 4.39 -0.08 -0.61 -4.96 116.55 113.86 1itl n ASP 62 Ca 0.36 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1itl n ASP 62 Cb 0.47 0.57 0.00 0.00 2.34 0.00 0.00 41.12 44.50 1itl n ASP 62 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1itl n THR 63 N -2.33 0.00 0.02 5.18 -2.24 -1.26 -4.51 114.28 109.14 1itl n THR 63 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1itl n THR 63 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1itl n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1itl n ARG 64 N -0.69 0.00 0.04 -0.78 1.74 -1.26 -4.61 116.66 111.11 1itl n ARG 64 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1itl n ARG 64 Cb 0.00 -0.38 -0.11 0.00 -1.02 0.00 0.00 32.46 30.95 1itl n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1itl n LEU 66 N -3.24 3.27 -3.23 0.00 -0.00 -1.26 -4.14 117.00 108.40 1itl n LEU 66 Ca -0.05 -1.66 -0.24 0.00 -0.00 0.00 0.00 56.01 54.07 1itl n LEU 66 Cb 0.95 -0.54 -0.07 0.00 -0.00 0.00 0.00 43.42 43.76 1itl n LEU 66 CO 0.46 0.46 -0.17 0.61 -0.00 0.00 0.00 177.39 178.75 1itl n GLY 67 N 0.46 3.58 0.17 1.47 0.00 -1.22 -3.53 105.19 106.13 1itl n GLY 67 Ca 0.14 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 1itl n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itl n ALA 68 N 1.04 1.24 0.20 4.61 0.00 -1.26 -4.87 120.51 121.48 1itl n ALA 68 Ca 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1itl n ALA 68 Cb 0.51 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1itl n ALA 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1itl n THR 69 N -4.22 0.00 0.00 0.00 5.66 -1.26 -5.06 114.28 109.41 1itl n THR 69 Ca -0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1itl n THR 69 Cb 0.83 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1itl n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1itl n ALA 70 N -3.37 0.00 0.33 1.79 0.00 -1.26 -4.96 120.51 113.03 1itl n ALA 70 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1itl n ALA 70 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1itl n ALA 70 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1itl h GLN 71 N 0.00 -0.85 -0.43 0.00 4.15 -1.97 -2.56 115.11 113.45 1itl h GLN 71 Ca 0.00 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.56 1itl h GLN 71 Cb 0.00 0.19 -0.08 0.00 0.21 0.00 0.00 27.48 27.80 1itl h GLN 71 CO 0.00 -0.57 -0.12 1.96 -1.93 0.00 0.00 178.83 178.17 1itl h GLN 72 N -0.89 -0.02 -0.74 1.69 1.08 -1.93 -0.52 115.11 113.78 1itl h GLN 72 Ca -0.07 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1itl h GLN 72 Cb 0.72 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.06 1itl h GLN 72 CO 0.07 -0.01 -0.47 0.35 -0.95 0.00 0.00 178.83 177.82 1itl h PHE 73 N -0.02 -1.51 -0.68 2.96 3.04 -1.55 0.16 116.94 119.34 1itl h PHE 73 Ca 0.21 0.10 0.05 0.00 3.98 0.00 0.00 57.97 62.31 1itl h PHE 73 Cb 0.33 0.76 -0.05 0.00 2.56 0.00 0.00 35.95 39.54 1itl h PHE 73 CO -0.38 -0.31 0.39 1.25 -2.02 0.00 0.00 178.31 177.24 1itl h HIS 74 N -0.04 0.73 -0.24 0.41 2.76 -1.00 -2.72 115.15 115.05 1itl h HIS 74 Ca 0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1itl h HIS 74 Cb 0.35 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1itl h HIS 74 CO -0.97 0.37 0.10 -0.09 -1.30 0.00 0.00 177.93 176.03 1itl h ARG 75 N 0.74 0.36 -0.50 5.26 2.43 0.69 -2.95 114.38 120.41 1itl h ARG 75 Ca 0.29 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 1itl h ARG 75 Cb 0.14 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 1itl h ARG 75 CO -0.16 0.40 0.13 1.25 -1.51 0.00 0.00 179.97 180.08 1itl h HIS 76 N 0.24 0.21 -0.40 2.20 2.76 -0.65 -1.54 115.15 117.97 1itl h HIS 76 Ca 0.08 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1itl h HIS 76 Cb 0.18 -0.02 -0.09 0.00 1.55 0.00 0.00 27.41 29.03 1itl h HIS 76 CO -0.01 0.03 -0.21 -0.22 -1.30 0.00 0.00 177.93 176.22 1itl h LYS 77 N 0.27 -0.14 -0.34 5.26 3.64 -1.34 -0.73 116.57 123.19 1itl h LYS 77 Ca 0.25 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 1itl h LYS 77 Cb 0.31 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.09 1itl h LYS 77 CO -0.30 -0.09 -0.12 1.96 -2.27 0.00 0.00 179.45 178.63 1itl h GLN 78 N -0.14 -0.04 -0.14 1.90 4.20 -1.13 -2.29 115.11 117.46 1itl h GLN 78 Ca 0.20 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1itl h GLN 78 Cb 0.45 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 1itl h GLN 78 CO -0.49 -0.03 -0.50 -0.07 -0.67 0.00 0.00 178.83 177.07 1itl h LEU 79 N -0.05 -1.58 -0.70 1.46 4.07 -0.64 -1.75 115.31 116.12 1itl h LEU 79 Ca 0.17 0.20 0.11 0.00 0.08 0.00 0.00 57.88 58.44 1itl h LEU 79 Cb 0.30 0.63 -0.12 0.00 1.08 0.00 0.00 40.66 42.55 1itl h LEU 79 CO -0.38 -0.46 -0.38 0.40 -1.08 0.00 0.00 178.44 176.54 1itl h ILE 80 N -0.55 0.10 -0.20 1.22 1.08 -0.78 0.18 117.51 118.57 1itl h ILE 80 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1itl h ILE 80 Cb 0.66 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 34.45 1itl h ILE 80 CO -0.43 0.00 -0.49 0.03 -0.69 0.00 0.00 178.15 176.57 1itl h ARG 81 N -0.13 -0.48 -0.47 2.37 3.08 -0.91 -1.29 114.38 116.54 1itl h ARG 81 Ca 0.25 0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.39 1itl h ARG 81 Cb 0.56 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1itl h ARG 81 CO -0.77 -0.32 0.17 0.74 -1.07 0.00 0.00 179.97 178.72 1itl h PHE 82 N -0.50 0.29 -0.05 3.04 -1.00 -0.37 0.82 116.94 119.18 1itl h PHE 82 Ca 0.07 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.91 1itl h PHE 82 Cb 0.64 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 40.09 1itl h PHE 82 CO -0.57 0.10 -0.38 -0.07 -1.61 0.00 0.00 178.31 175.78 1itl h LEU 83 N 0.34 -1.17 0.25 1.54 3.38 0.09 0.10 115.31 119.84 1itl h LEU 83 Ca 0.23 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1itl h LEU 83 Cb 0.23 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1itl h LEU 83 CO -0.23 -0.42 -0.19 0.50 0.09 0.00 0.00 178.44 178.19 1itl h LYS 84 N -0.51 -0.43 -0.82 1.13 3.64 -0.85 -0.59 116.57 118.15 1itl h LYS 84 Ca 0.06 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.63 1itl h LYS 84 Cb 0.61 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.38 1itl h LYS 84 CO -0.33 -0.29 -0.22 -0.09 -2.27 0.00 0.00 179.45 176.26 1itl h ARG 85 N -0.45 -0.01 0.34 1.90 2.43 -0.31 -0.20 114.38 118.08 1itl h ARG 85 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1itl h ARG 85 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1itl h ARG 85 CO -0.01 -0.00 -0.16 1.37 -1.51 0.00 0.00 179.97 179.65 1itl h LEU 86 N -0.01 -0.38 -0.97 3.80 8.10 -0.63 -3.17 115.31 122.06 1itl h LEU 86 Ca 0.39 -0.17 0.14 0.00 0.11 0.00 0.00 57.88 58.35 1itl h LEU 86 Cb 0.60 0.10 -0.15 0.00 -0.44 0.00 0.00 40.66 40.77 1itl h LEU 86 CO -0.84 0.02 -0.43 -0.78 -4.11 0.00 0.00 178.44 172.30 1itl h ASP 87 N -0.87 -1.58 -0.31 0.17 1.82 0.16 0.13 116.42 115.94 1itl h ASP 87 Ca -0.05 0.31 0.04 0.00 -0.39 0.00 0.00 57.03 56.94 1itl h ASP 87 Cb 0.53 0.79 -0.07 0.00 0.68 0.00 0.00 39.33 41.26 1itl h ASP 87 CO 0.08 -0.28 -0.46 -0.09 -1.61 0.00 0.00 179.24 176.87 1itl h ARG 88 N -0.01 -0.34 -0.15 0.28 2.43 -1.14 -2.16 114.38 113.29 1itl h ARG 88 Ca 0.30 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 1itl h ARG 88 Cb 0.56 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1itl h ARG 88 CO -0.96 -0.22 -0.05 -0.91 -1.51 0.00 0.00 179.97 176.32 1itl h ASN 89 N -0.35 -0.17 -0.72 -3.80 2.35 -1.24 -3.08 115.58 108.57 1itl h ASN 89 Ca 0.06 0.05 0.10 0.00 -0.55 0.00 0.00 56.30 55.95 1itl h ASN 89 Cb 0.50 0.10 -0.11 0.00 0.05 0.00 0.00 38.32 38.87 1itl h ASN 89 CO -0.48 -0.06 -0.32 -0.11 -1.65 0.00 0.00 177.43 174.81 1itl n LEU 90 N -5.18 -0.54 -0.28 1.61 0.00 0.34 -0.47 117.00 112.47 1itl n LEU 90 Ca -0.04 1.26 0.05 0.00 0.00 0.00 0.00 56.01 57.28 1itl n LEU 90 Cb 0.11 -0.25 0.12 0.00 0.00 0.00 0.00 43.42 43.39 1itl n LEU 90 CO 0.26 -1.10 0.53 1.87 0.00 0.00 0.00 177.39 178.95 1itl n TRP 91 N -5.01 0.30 -0.03 1.96 -0.00 -1.07 -0.87 117.44 112.73 1itl n TRP 91 Ca 0.06 0.96 -0.13 0.00 -0.00 0.00 0.00 57.50 58.39 1itl n TRP 91 Cb 0.26 -0.96 -0.09 0.00 -0.00 0.00 0.00 31.31 30.52 1itl n TRP 91 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1itl h GLY 92 N 0.00 -1.15 0.36 5.87 0.00 -0.95 -1.84 103.07 105.36 1itl h GLY 92 Ca 0.38 0.69 0.04 0.00 0.00 0.00 0.00 47.33 48.45 1itl h GLY 92 CO -0.81 -0.24 -0.23 1.41 0.00 0.00 0.00 176.54 176.67 1itl h LEU 93 N -0.48 -0.69 -0.87 3.11 4.07 -1.11 -2.85 115.31 116.49 1itl h LEU 93 Ca 0.03 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.18 1itl h LEU 93 Cb 0.58 0.30 -0.11 0.00 1.08 0.00 0.00 40.66 42.51 1itl h LEU 93 CO -0.40 -0.28 -0.56 0.00 -1.08 0.00 0.00 178.44 176.12 1itl h ALA 94 N 0.63 -0.56 0.00 1.53 0.00 -0.89 -3.46 119.26 116.51 1itl h ALA 94 Ca 0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1itl h ALA 94 Cb 0.44 1.33 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1itl h ALA 94 CO -0.27 -0.94 0.00 0.41 0.00 0.00 0.00 179.25 178.45 1itl n GLY 95 N -1.26 3.02 0.00 0.00 0.00 -0.73 -4.31 105.19 101.91 1itl n GLY 95 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1itl n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1itl n LEU 96 N 0.00 0.00 0.11 0.99 -0.00 -1.26 -5.08 117.00 111.76 1itl n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1itl n LEU 96 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1itl n LEU 96 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 177.39 176.93 1itl n ASN 97 N 0.00 -1.10 -3.48 1.45 0.23 -1.26 -5.02 115.26 106.08 1itl n ASN 97 Ca 0.00 0.40 -0.10 0.00 -0.53 0.00 0.00 54.58 54.35 1itl n ASN 97 Cb 0.00 1.18 -0.02 0.00 -2.08 0.00 0.00 39.78 38.86 1itl n ASN 97 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1itl s SER 98 N -3.80 -0.44 0.06 0.53 0.15 -1.26 -4.95 113.70 103.98 1itl s SER 98 Ca 0.00 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.58 1itl s SER 98 Cb 0.00 0.45 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1itl s SER 98 CO 0.00 -0.71 0.27 0.00 1.20 0.00 0.00 173.24 174.00 1itl s PRO 100 N -2.87 0.10 -0.13 0.00 0.04 -1.26 -4.76 135.00 126.12 1itl s PRO 100 Ca -0.03 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.14 1itl s PRO 100 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1itl s PRO 100 CO -0.05 -3.11 -0.19 0.54 0.04 0.00 0.00 177.00 174.22 1itl s VAL 101 N -2.60 2.39 -0.44 -0.36 0.11 -1.26 -4.79 120.40 113.45 1itl s VAL 101 Ca 0.67 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 1itl s VAL 101 Cb -0.23 -1.97 0.12 0.00 -1.53 0.00 0.00 36.38 32.78 1itl s VAL 101 CO 0.61 0.54 0.20 -0.54 -3.33 0.00 0.00 175.10 172.58 1itl s LYS 102 N 0.63 1.49 0.08 1.54 1.02 -1.26 -5.10 119.74 118.14 1itl s LYS 102 Ca -0.10 -2.10 -0.18 0.00 0.02 0.00 0.00 55.97 53.61 1itl s LYS 102 Cb -0.16 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.28 1itl s LYS 102 CO 0.03 -1.09 0.39 -0.85 -0.92 0.00 0.00 175.35 172.90 1itl n GLU 103 N 3.64 0.00 -3.07 1.68 -0.00 -1.26 -4.93 120.64 116.71 1itl n GLU 103 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.06 1itl n GLU 103 Cb 0.35 -0.66 0.00 0.00 -0.00 0.00 0.00 31.44 31.14 1itl n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1itl n ALA 104 N 0.25 1.25 0.00 -1.84 0.00 -1.26 -5.05 120.51 113.85 1itl n ALA 104 Ca 0.11 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.68 1itl n ALA 104 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1itl n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1itl n ASN 105 N 0.37 0.00 -4.56 0.00 5.03 -1.26 -4.30 115.26 110.54 1itl n ASN 105 Ca 0.20 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.36 1itl n ASN 105 Cb 0.66 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.33 1itl n ASN 105 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1itl s GLN 106 N -2.02 2.03 -0.07 3.52 1.11 -1.26 -1.46 119.66 121.51 1itl s GLN 106 Ca 0.00 -1.16 0.03 0.00 0.01 0.00 0.00 55.36 54.24 1itl s GLN 106 Cb 0.00 -2.20 0.01 0.00 -1.01 0.00 0.00 33.01 29.80 1itl s GLN 106 CO 0.00 0.47 -0.17 0.45 0.01 0.00 0.00 175.29 176.04 1itl s SER 107 N -2.48 2.32 -0.86 5.90 0.15 0.30 -4.72 113.70 114.30 1itl s SER 107 Ca 0.22 -0.40 -0.21 0.00 0.70 0.00 0.00 55.95 56.26 1itl s SER 107 Cb -0.10 -0.99 0.09 0.00 -1.71 0.00 0.00 66.02 63.31 1itl s SER 107 CO 0.14 0.10 1.17 0.42 1.20 0.00 0.00 173.24 176.27 1itl s THR 108 N 0.43 4.35 0.00 6.45 -4.23 -1.26 -0.66 115.64 120.72 1itl s THR 108 Ca -0.14 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1itl s THR 108 Cb -0.16 -4.83 0.00 0.00 1.34 0.00 0.00 72.50 68.85 1itl s THR 108 CO 0.05 -1.62 0.00 -0.11 -0.54 0.00 0.00 174.62 172.40 1itl n LEU 109 N 7.62 0.00 -0.36 4.79 7.94 -0.51 -0.47 117.00 136.01 1itl n LEU 109 Ca 0.17 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 55.06 1itl n LEU 109 Cb 0.49 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.47 1itl n LEU 109 CO 0.59 0.00 0.54 1.21 -1.11 0.00 0.00 177.39 178.62 1itl n GLU 110 N 0.00 -0.22 0.47 1.96 2.13 -0.77 -1.05 120.64 123.15 1itl n GLU 110 Ca 0.00 1.42 -0.20 0.00 0.66 0.00 0.00 57.16 59.04 1itl n GLU 110 Cb 0.00 -2.11 -0.10 0.00 0.27 0.00 0.00 31.44 29.51 1itl n GLU 110 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1itl h ASN 111 N 0.00 -1.11 -0.94 4.31 -0.73 -1.07 -0.66 115.58 115.39 1itl h ASN 111 Ca 0.32 0.05 0.13 0.00 1.87 0.00 0.00 56.30 58.67 1itl h ASN 111 Cb 0.55 0.30 -0.14 0.00 0.27 0.00 0.00 38.32 39.30 1itl h ASN 111 CO -0.92 -0.75 -0.44 0.15 -0.37 0.00 0.00 177.43 175.11 1itl h PHE 112 N -1.22 -1.29 0.63 0.67 3.57 -1.25 -0.40 116.94 117.65 1itl h PHE 112 Ca -0.12 0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1itl h PHE 112 Cb 0.95 0.70 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1itl h PHE 112 CO -0.04 -0.40 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.10 1itl h LEU 113 N -0.03 -1.25 -0.84 0.59 3.38 -0.99 -1.81 115.31 114.37 1itl h LEU 113 Ca 0.28 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.47 1itl h LEU 113 Cb 0.55 0.39 -0.14 0.00 0.09 0.00 0.00 40.66 41.54 1itl h LEU 113 CO -0.94 -0.68 -0.30 -0.62 0.09 0.00 0.00 178.44 175.99 1itl n GLU 114 N -5.38 -0.17 0.47 1.13 -0.58 -0.26 -0.57 120.64 115.27 1itl n GLU 114 Ca -0.13 1.30 -0.20 0.00 -0.42 0.00 0.00 57.16 57.71 1itl n GLU 114 Cb 0.46 -1.93 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 1itl n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1itl h ARG 115 N 0.00 -1.13 -0.74 3.49 3.08 -1.08 -1.86 114.38 116.13 1itl h ARG 115 Ca 0.32 0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.56 1itl h ARG 115 Cb 0.53 0.26 -0.13 0.00 0.08 0.00 0.00 29.97 30.70 1itl h ARG 115 CO -0.84 -0.76 -0.36 1.25 -1.07 0.00 0.00 179.97 178.20 1itl h LEU 116 N -1.19 -1.27 0.16 3.04 5.85 -0.09 -1.33 115.31 120.48 1itl h LEU 116 Ca -0.12 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1itl h LEU 116 Cb 0.90 0.65 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1itl h LEU 116 CO 0.20 -0.30 -0.38 0.50 -0.34 0.00 0.00 178.44 178.12 1itl h LYS 117 N -0.10 -0.57 -0.79 1.25 3.64 -0.76 -1.76 116.57 117.47 1itl h LYS 117 Ca 0.27 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1itl h LYS 117 Cb 0.57 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.39 1itl h LYS 117 CO -0.79 -0.38 -0.45 1.15 -2.27 0.00 0.00 179.45 176.71 1itl h THR 118 N -0.59 0.05 -0.16 1.00 2.02 -0.57 -0.99 112.91 113.66 1itl h THR 118 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1itl h THR 118 Cb 0.57 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1itl h THR 118 CO -0.17 0.00 -0.26 0.40 0.37 0.00 0.00 175.52 175.86 1itl h ILE 119 N -0.11 0.00 -0.95 3.11 2.04 -0.97 0.52 117.51 121.15 1itl h ILE 119 Ca 0.23 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.22 1itl h ILE 119 Cb 0.54 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.48 1itl h ILE 119 CO -0.83 0.00 -0.45 0.24 0.00 0.00 0.00 178.15 177.11 1itl h MET 120 N -0.21 -0.02 0.11 2.37 2.86 -0.40 -1.30 114.93 118.33 1itl h MET 120 Ca 0.03 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1itl h MET 120 Cb 0.29 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1itl h MET 120 CO -0.26 -0.01 -0.33 0.00 1.06 0.00 0.00 176.91 177.36 1itl h ARG 121 N -0.02 -0.53 -0.87 1.72 3.08 -0.54 -0.28 114.38 116.93 1itl h ARG 121 Ca 0.28 0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.54 1itl h ARG 121 Cb 0.54 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.55 1itl h ARG 121 CO -0.94 -0.36 -0.21 -1.91 -1.07 0.00 0.00 179.97 175.48 1itl n GLU 122 N -5.43 -0.08 -0.00 0.04 4.07 0.11 -0.64 120.64 118.72 1itl n GLU 122 Ca -0.07 1.35 -0.10 0.00 -0.06 0.00 0.00 57.16 58.28 1itl n GLU 122 Cb 0.34 -2.02 -0.08 0.00 -0.06 0.00 0.00 31.44 29.61 1itl n GLU 122 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1itl h LYS 123 N 0.00 -0.10 -0.68 5.31 1.57 -1.28 -3.31 116.57 118.07 1itl h LYS 123 Ca 0.42 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 1itl h LYS 123 Cb 0.66 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1itl h LYS 123 CO -0.89 0.44 -0.40 0.98 -0.57 0.00 0.00 179.45 179.01 1itl n TYR 124 N -4.81 -0.29 -0.31 -1.35 9.36 0.18 -0.46 117.16 119.49 1itl n TYR 124 Ca -0.07 0.85 -0.14 0.00 3.32 0.00 0.00 57.90 61.86 1itl n TYR 124 Cb 0.29 -0.56 0.11 0.00 -0.63 0.00 0.00 39.34 38.55 1itl n TYR 124 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1itl n SER 125 N -4.86 3.45 0.03 2.98 7.64 -0.61 -3.79 113.62 118.47 1itl n SER 125 Ca 0.02 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1itl n SER 125 Cb 0.18 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1itl n SER 125 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1itl n LYS 126 N -0.45 0.00 0.14 1.43 4.81 0.39 -4.57 118.16 119.91 1itl n LYS 126 Ca 0.35 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.82 1itl n LYS 126 Cb 1.18 -0.14 0.41 0.00 0.02 0.00 0.00 35.03 36.50 1itl n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1itl n SER 128 N -4.28 0.00 0.00 0.00 7.64 -1.25 -4.60 113.62 111.14 1itl n SER 128 Ca -0.01 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1itl n SER 128 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1itl n SER 128 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49