#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n PRO 2 N 0.00 0.00 0.00 2.12 -0.04 -1.26 -5.16 135.00 130.66 3i8i n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8i n PRO 2 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i8i n PRO 2 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i8i n ASN 3 N -0.69 0.00 0.00 3.54 3.02 -1.26 -5.05 115.26 114.82 3i8i n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i8i n ASN 3 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3i8i n ASN 3 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i8i n LYS 4 N 0.00 0.00 -1.83 3.52 5.02 -1.26 -2.64 118.16 120.97 3i8i n LYS 4 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3i8i n LYS 4 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3i8i n LYS 4 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3i8i n ARG 5 N 0.00 0.31 0.00 1.97 -4.01 -1.26 -5.07 116.66 108.60 3i8i n ARG 5 Ca 0.00 -0.31 0.00 0.00 -1.04 0.00 0.00 57.85 56.50 3i8i n ARG 5 Cb 0.00 0.09 0.00 0.00 -3.04 0.00 0.00 32.46 29.51 3i8i n ARG 5 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3i8i n ASN 6 N -0.37 0.00 0.00 2.89 5.03 -1.08 -4.36 115.26 117.37 3i8i n ASN 6 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 3i8i n ASN 6 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 3i8i n ASN 6 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3i8i n VAL 7 N 0.00 0.00 0.00 2.41 3.14 -1.26 0.82 118.33 123.44 3i8i n VAL 7 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8i n VAL 7 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8i n VAL 7 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3i8i n GLU 8 N 8.46 0.00 0.00 1.45 4.07 -1.26 0.18 120.64 133.54 3i8i n GLU 8 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i8i n GLU 8 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i8i n GLU 8 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3i8i n LEU 9 N -0.71 0.00 -0.31 4.31 -0.00 0.24 0.55 117.00 121.07 3i8i n LEU 9 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 56.14 3i8i n LEU 9 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 43.69 3i8i n LEU 9 CO 0.00 0.00 0.84 0.25 -0.00 0.00 0.00 177.39 178.48 3i8i h LEU 10 N 0.00 -0.33 0.00 -1.96 5.85 0.17 0.42 115.31 119.46 3i8i h LEU 10 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3i8i h LEU 10 Cb 0.00 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3i8i h LEU 10 CO 0.00 -0.28 0.00 0.00 -0.34 0.00 0.00 178.44 177.82 3i8i n ALA 11 N -2.98 0.00 0.20 1.25 0.00 0.19 -1.02 120.51 118.15 3i8i n ALA 11 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.70 3i8i n ALA 11 Cb 0.69 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.58 3i8i n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i h THR 12 N 0.00 1.01 0.00 0.00 1.03 -1.39 -0.59 112.91 112.98 3i8i h THR 12 Ca 0.00 -1.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.23 3i8i h THR 12 Cb 0.00 1.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 3i8i h THR 12 CO 0.00 0.31 0.00 -0.11 -0.01 0.00 0.00 175.52 175.71 3i8i n LEU 13 N -3.85 0.00 0.00 0.00 -0.00 0.13 -2.36 117.00 110.92 3i8i n LEU 13 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3i8i n LEU 13 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 3i8i n LEU 13 CO 0.36 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.92 3i8i n LYS 14 N -0.85 0.24 -3.54 1.96 3.00 -0.19 -4.89 118.16 113.89 3i8i n LYS 14 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.91 3i8i n LYS 14 Cb 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 35.03 34.94 3i8i n LYS 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3i8i s GLU 15 N 0.00 2.78 0.00 1.64 -1.05 -0.27 -3.71 118.70 118.09 3i8i s GLU 15 Ca 0.00 -2.16 0.00 0.00 -0.15 0.00 0.00 54.97 52.66 3i8i s GLU 15 Cb 0.00 -4.00 0.00 0.00 -0.44 0.00 0.00 34.13 29.69 3i8i s GLU 15 CO 0.00 -1.21 0.00 -1.71 0.95 0.00 0.00 175.26 173.29 3i8i n ASN 16 N 4.27 0.00 -0.02 0.83 5.15 -1.26 -4.64 115.26 119.59 3i8i n ASN 16 Ca 0.02 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.93 3i8i n ASN 16 Cb 0.41 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.53 3i8i n ASN 16 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3i8i n LEU 17 N 0.00 0.72 -3.04 1.20 7.99 -1.26 -3.71 117.00 118.90 3i8i n LEU 17 Ca 0.00 0.34 -0.32 0.00 -0.01 0.00 0.00 56.01 56.02 3i8i n LEU 17 Cb 0.00 0.20 -0.01 0.00 -0.11 0.00 0.00 43.42 43.50 3i8i n LEU 17 CO 0.00 0.36 0.63 -0.62 -1.51 0.00 0.00 177.39 176.24 3i8i n GLU 18 N -2.96 3.80 0.00 3.23 -0.58 -1.24 -0.81 120.64 122.08 3i8i n GLU 18 Ca -0.18 -4.62 0.00 0.00 -0.42 0.00 0.00 57.16 51.94 3i8i n GLU 18 Cb 1.02 -2.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 3i8i n GLU 18 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3i8i n ARG 19 N -0.27 0.00 -0.42 3.49 0.00 -1.24 -4.80 116.66 113.41 3i8i n ARG 19 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 3i8i n ARG 19 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.85 3i8i n ARG 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8i n ALA 20 N -1.16 0.00 -1.20 5.13 0.00 -1.25 -3.45 120.51 118.58 3i8i n ALA 20 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3i8i n ALA 20 Cb 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 3i8i n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i8i n GLN 21 N -0.25 -2.88 -4.34 0.00 -0.06 -1.25 -4.59 117.38 104.01 3i8i n GLN 21 Ca 0.00 2.33 -0.34 0.00 -2.00 0.00 0.00 57.00 56.99 3i8i n GLN 21 Cb 0.12 -3.20 -0.13 0.00 -4.06 0.00 0.00 30.24 22.97 3i8i n GLN 21 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 3i8i s GLY 22 N -6.25 1.67 0.00 1.69 0.00 0.01 -4.21 107.32 100.24 3i8i s GLY 22 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3i8i s GLY 22 CO 0.00 0.03 0.00 -1.26 0.00 0.00 0.00 173.10 171.87 3i8i n SER 23 N 3.82 0.00 0.00 1.64 2.88 -1.22 -3.98 113.62 116.77 3i8i n SER 23 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3i8i n SER 23 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3i8i n SER 23 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3i8i n PHE 24 N 0.00 0.00 0.00 0.66 -0.00 0.76 -4.84 117.46 114.04 3i8i n PHE 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i8i n PHE 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3i8i n PHE 24 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3i8i n PHE 25 N 0.00 0.00 0.00 -5.13 3.72 -1.26 -2.55 117.46 112.24 3i8i n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3i8i n PHE 25 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3i8i n PHE 25 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3i8i n LEU 26 N 0.00 0.00 0.00 4.37 4.77 -0.56 -2.08 117.00 123.51 3i8i n LEU 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8i n LEU 26 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8i n LEU 26 CO 0.00 -0.25 0.00 0.55 -1.33 0.00 0.00 177.39 176.36 3i8i n VAL 27 N -1.76 0.00 -0.34 4.08 3.14 0.20 0.40 118.33 124.06 3i8i n VAL 27 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8i n VAL 27 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8i n VAL 27 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i8i n ASN 28 N 0.00 0.00 0.00 6.55 3.02 -1.20 -3.76 115.26 119.87 3i8i n ASN 28 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i8i n ASN 28 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3i8i n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i8i n TYR 29 N 0.00 0.00 -2.26 3.10 9.36 -1.20 -2.62 117.16 123.54 3i8i n TYR 29 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 3i8i n TYR 29 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 3i8i n TYR 29 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 3i8i n GLN 30 N 0.00 0.00 -0.62 2.98 6.02 -1.26 -0.04 117.38 124.46 3i8i n GLN 30 Ca 0.00 -1.45 0.02 0.00 -0.01 0.00 0.00 57.00 55.57 3i8i n GLN 30 Cb 0.00 0.10 -0.01 0.00 1.02 0.00 0.00 30.24 31.35 3i8i n GLN 30 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8i n GLY 31 N 0.26 -0.37 0.00 1.08 0.00 -1.26 -5.04 105.19 99.85 3i8i n GLY 31 Ca -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i8i n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 32 N -2.75 0.00 -0.12 0.99 7.99 -1.26 -4.99 117.00 116.87 3i8i n LEU 32 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.93 3i8i n LEU 32 Cb 0.29 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.61 3i8i n LEU 32 CO 0.00 0.00 0.71 -0.65 -1.51 0.00 0.00 177.39 175.94 3i8i h PRO 33 N 0.00 -0.14 0.00 3.23 0.11 -2.00 -3.44 132.00 129.77 3i8i h PRO 33 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3i8i h PRO 33 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3i8i h PRO 33 CO 0.00 -0.09 0.00 0.00 -0.21 0.00 0.00 178.00 177.70 3i8i n ALA 34 N -2.89 0.00 0.23 -0.75 0.00 -1.26 -4.53 120.51 111.31 3i8i n ALA 34 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.49 3i8i n ALA 34 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.78 3i8i n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 35 N 0.00 0.22 0.00 0.00 0.00 -1.26 -4.93 118.16 112.19 3i8i n LYS 35 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 58.31 57.32 3i8i n LYS 35 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 33.90 3i8i n LYS 35 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 3i8i n GLU 36 N 0.34 0.00 -3.49 1.64 0.28 -1.26 -5.01 120.64 113.14 3i8i n GLU 36 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.88 3i8i n GLU 36 Cb 0.18 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.06 3i8i n GLU 36 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3i8i n THR 37 N 0.00 -1.22 0.00 3.84 -2.24 -1.26 -4.84 114.28 108.56 3i8i n THR 37 Ca 0.00 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3i8i n THR 37 Cb 0.00 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 3i8i n THR 37 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i8i n HIS 38 N -2.08 0.00 -1.53 4.78 8.25 -1.26 -4.74 115.22 118.63 3i8i n HIS 38 Ca -0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.27 3i8i n HIS 38 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3i8i n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i8i n ALA 39 N -3.00 -0.19 -2.86 -1.41 0.00 -1.26 -5.00 120.51 106.79 3i8i n ALA 39 Ca 0.00 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 3i8i n ALA 39 Cb 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 3i8i n ALA 39 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i8i s LEU 40 N -2.47 2.64 0.00 0.00 1.98 -1.26 -3.85 118.68 115.71 3i8i s LEU 40 Ca 0.00 -0.31 0.00 0.00 -2.89 0.00 0.00 54.13 50.93 3i8i s LEU 40 Cb 0.00 -1.56 0.00 0.00 0.66 0.00 0.00 46.19 45.29 3i8i s LEU 40 CO 0.00 0.23 0.00 -1.14 -1.89 0.00 0.00 176.35 173.55 3i8i n ARG 41 N 3.07 0.00 0.00 1.98 0.00 -1.26 -4.65 116.66 115.80 3i8i n ARG 41 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 3i8i n ARG 41 Cb 0.52 -1.91 0.00 0.00 0.00 0.00 0.00 32.46 31.08 3i8i n ARG 41 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i8i n GLN 42 N -2.00 0.63 0.00 -0.14 7.27 -1.26 -4.90 117.38 116.98 3i8i n GLN 42 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 57.00 56.71 3i8i n GLN 42 Cb 0.00 -0.85 0.00 0.00 2.41 0.00 0.00 30.24 31.80 3i8i n GLN 42 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i8i n ALA 43 N -0.19 0.56 0.00 1.69 0.00 -1.25 -4.38 120.51 116.94 3i8i n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 43 Cb 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3i8i n ALA 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8i n LEU 44 N 1.72 0.00 0.00 0.00 0.00 -1.26 -3.12 117.00 114.34 3i8i n LEU 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3i8i n LEU 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3i8i n LEU 44 CO 0.04 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.60 3i8i n LYS 45 N 0.00 0.00 0.00 1.96 4.81 -1.26 -5.00 118.16 118.67 3i8i n LYS 45 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i8i n LYS 45 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i8i n LYS 45 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3i8i n GLN 46 N -1.19 0.00 0.00 1.64 1.13 -1.26 -5.06 117.38 112.64 3i8i n GLN 46 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i8i n GLN 46 Cb 0.00 -0.34 0.00 0.00 0.11 0.00 0.00 30.24 30.01 3i8i n GLN 46 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i8i n ASN 47 N -0.73 0.00 0.00 1.08 5.03 -1.18 -4.85 115.26 114.60 3i8i n ASN 47 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3i8i n ASN 47 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3i8i n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8i n GLY 48 N 0.00 0.34 0.34 7.41 0.00 -1.26 -4.67 105.19 107.35 3i8i n GLY 48 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3i8i n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8i n ALA 49 N 0.69 -0.76 0.00 4.61 0.00 2.44 -4.53 120.51 122.96 3i8i n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8i n ALA 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i8i n ARG 50 N 0.42 0.00 0.00 0.00 3.00 -1.26 -4.50 116.66 114.33 3i8i n ARG 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i8i n ARG 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3i8i n ARG 50 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3i8i n LEU 51 N 0.00 0.00 0.00 6.15 4.77 -1.26 0.24 117.00 126.90 3i8i n LEU 51 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8i n LEU 51 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8i n LEU 51 CO 0.00 0.00 0.15 0.49 -1.33 0.00 0.00 177.39 176.70 3i8i n PHE 52 N -0.15 0.00 0.00 -1.77 0.99 -1.26 -4.91 117.46 110.36 3i8i n PHE 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i8i n PHE 52 Cb 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 39.48 38.44 3i8i n PHE 52 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.76 178.09 3i8i n VAL 53 N -0.62 0.00 -3.74 -4.37 0.24 -1.26 -5.03 118.33 103.55 3i8i n VAL 53 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 3i8i n VAL 53 Cb 0.00 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.39 3i8i n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8i n ALA 54 N 0.00 -2.29 -0.26 2.33 0.00 -1.26 -4.57 120.51 114.45 3i8i n ALA 54 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 3i8i n ALA 54 Cb 0.00 -3.00 -0.06 0.00 0.00 0.00 0.00 19.45 16.39 3i8i n ALA 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 55 N -4.22 -0.28 -0.04 0.00 4.81 -1.26 0.09 118.16 117.26 3i8i n LYS 55 Ca -0.20 1.15 -0.08 0.00 -0.87 0.00 0.00 58.31 58.32 3i8i n LYS 55 Cb 0.64 -1.70 -0.05 0.00 0.02 0.00 0.00 35.03 33.93 3i8i n LYS 55 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3i8i h ASN 56 N 0.00 -0.96 0.00 3.14 4.21 -1.90 -2.90 115.58 117.18 3i8i h ASN 56 Ca 0.10 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.73 3i8i h ASN 56 Cb 0.26 0.38 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 3i8i h ASN 56 CO -0.59 -0.24 0.00 0.41 -1.29 0.00 0.00 177.43 175.72 3i8i n THR 57 N -4.11 0.00 0.00 2.81 -1.04 0.11 -1.36 114.28 110.69 3i8i n THR 57 Ca -0.03 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3i8i n THR 57 Cb 0.19 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.08 3i8i n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8i n LEU 58 N 0.00 0.00 -0.27 -4.42 -0.00 -0.43 -3.60 117.00 108.28 3i8i n LEU 58 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 3i8i n LEU 58 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.48 3i8i n LEU 58 CO 0.00 0.00 0.44 2.30 -0.00 0.00 0.00 177.39 180.13 3i8i n ILE 59 N 0.00 -0.35 0.11 1.47 -6.64 -1.17 0.58 119.36 113.36 3i8i n ILE 59 Ca 0.00 1.66 0.17 0.00 -1.77 0.00 0.00 62.75 62.81 3i8i n ILE 59 Cb 0.00 -2.24 0.50 0.00 -1.44 0.00 0.00 39.64 36.46 3i8i n ILE 59 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 3i8i h ARG 60 N 0.00 0.00 0.00 6.28 2.47 -1.01 -3.26 114.38 118.85 3i8i h ARG 60 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3i8i h ARG 60 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3i8i h ARG 60 CO -0.72 0.00 0.00 -0.11 0.56 0.00 0.00 179.97 179.70 3i8i n LEU 61 N -3.12 0.00 0.00 3.04 7.94 -0.03 -4.86 117.00 119.97 3i8i n LEU 61 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 3i8i n LEU 61 Cb 0.93 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.88 3i8i n LEU 61 CO 0.17 0.00 0.19 0.00 -1.11 0.00 0.00 177.39 176.64 3i8i n ALA 62 N -1.18 0.07 -0.06 1.96 0.00 2.40 -4.78 120.51 118.92 3i8i n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 62 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3i8i n ALA 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i8i n LEU 63 N -0.71 0.00 0.00 0.00 -0.00 -1.25 -4.82 117.00 110.22 3i8i n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8i n LEU 63 Cb 0.17 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 3i8i n LEU 63 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.68 3i8i n LYS 64 N -0.42 0.00 -0.42 1.47 4.01 -1.26 -4.97 118.16 116.57 3i8i n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i8i n LYS 64 Cb 0.24 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.76 3i8i n LYS 64 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3i8i n GLU 65 N 0.00 -1.20 -0.09 1.97 1.02 -1.26 -5.09 120.64 115.99 3i8i n GLU 65 Ca 0.00 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 3i8i n GLU 65 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3i8i n GLU 65 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i8i n LEU 66 N -0.62 -0.99 0.00 -4.62 4.77 -1.26 -4.93 117.00 109.35 3i8i n LEU 66 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i8i n LEU 66 Cb 0.00 0.77 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 3i8i n LEU 66 CO 0.00 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3i8i n GLY 67 N -1.04 -1.77 2.15 -0.72 0.00 -1.26 -4.78 105.19 97.76 3i8i n GLY 67 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 3i8i n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8i n LEU 68 N 0.00 -4.82 0.00 0.99 7.99 -1.26 -3.36 117.00 116.54 3i8i n LEU 68 Ca 0.00 1.63 0.00 0.00 -0.01 0.00 0.00 56.01 57.63 3i8i n LEU 68 Cb 0.00 -2.52 0.00 0.00 -0.11 0.00 0.00 43.42 40.79 3i8i n LEU 68 CO 0.00 -2.54 0.00 -0.81 -1.51 0.00 0.00 177.39 172.53 3i8i n PRO 69 N 1.15 3.97 0.00 3.23 -0.04 0.44 -4.06 135.00 139.69 3i8i n PRO 69 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 3i8i n PRO 69 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 3i8i n PRO 69 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3i8i n GLU 70 N 0.00 0.00 0.00 0.54 4.07 -1.26 -0.82 120.64 123.17 3i8i n GLU 70 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i8i n GLU 70 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i8i n GLU 70 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 3i8i n LEU 71 N 0.00 0.00 0.00 4.31 -0.00 -1.26 -4.57 117.00 115.48 3i8i n LEU 71 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8i n LEU 71 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8i n LEU 71 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.72 3i8i n ASP 72 N 0.00 0.00 0.00 1.45 -0.08 -1.22 -4.65 116.55 112.04 3i8i n ASP 72 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3i8i n ASP 72 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3i8i n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i8i n GLY 73 N 0.00 -0.43 0.00 0.27 0.00 0.65 0.41 105.19 106.08 3i8i n GLY 73 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3i8i n GLY 73 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i8i n LEU 74 N 0.00 0.00 -4.45 0.99 -0.00 -1.24 0.91 117.00 113.22 3i8i n LEU 74 Ca 0.00 -0.02 -0.25 0.00 -0.00 0.00 0.00 56.01 55.74 3i8i n LEU 74 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 3i8i n LEU 74 CO 0.00 0.31 -0.50 -1.10 -0.00 0.00 0.00 177.39 176.10 3i8i s GLN 75 N 0.00 1.60 0.00 1.47 -1.52 1.34 -4.85 119.66 117.70 3i8i s GLN 75 Ca 0.00 -1.66 0.00 0.00 -1.95 0.00 0.00 55.36 51.75 3i8i s GLN 75 Cb 0.00 -1.80 0.00 0.00 -0.22 0.00 0.00 33.01 30.99 3i8i s GLN 75 CO 0.00 0.36 0.00 0.41 -0.25 0.00 0.00 175.29 175.81 3i8i n GLY 76 N -0.22 2.31 3.36 3.09 0.00 -1.10 -3.95 105.19 108.68 3i8i n GLY 76 Ca -0.08 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 3i8i n GLY 76 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i8i s PRO 77 N 3.48 1.33 0.00 1.61 0.02 -1.26 -3.85 135.00 136.33 3i8i s PRO 77 Ca 0.00 -1.33 0.00 0.00 0.02 0.00 0.00 61.00 59.69 3i8i s PRO 77 Cb 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.82 3i8i s PRO 77 CO 0.00 0.39 0.00 -1.13 -0.33 0.00 0.00 177.00 175.93 3i8i n SER 78 N 0.79 0.00 -0.63 2.53 3.41 -1.26 -5.03 113.62 113.43 3i8i n SER 78 Ca -0.17 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.50 3i8i n SER 78 Cb 0.54 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.63 3i8i n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8i n ALA 79 N -3.00 2.98 -1.41 7.33 0.00 -1.26 -4.86 120.51 120.29 3i8i n ALA 79 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 3i8i n ALA 79 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3i8i n ALA 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8i n VAL 80 N -0.82 0.00 -3.96 0.00 0.31 -1.26 -4.55 118.33 108.05 3i8i n VAL 80 Ca 0.15 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.39 3i8i n VAL 80 Cb 0.76 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.60 3i8i n VAL 80 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i8i s VAL 81 N 1.92 0.17 -0.20 2.52 0.11 0.94 -3.99 120.40 121.86 3i8i s VAL 81 Ca 0.00 -1.42 -0.03 0.00 -2.93 0.00 0.00 61.98 57.60 3i8i s VAL 81 Cb 0.00 -1.34 0.07 0.00 -1.53 0.00 0.00 36.38 33.58 3i8i s VAL 81 CO 0.00 -0.78 0.06 -0.36 -3.33 0.00 0.00 175.10 170.69 3i8i s PHE 82 N -3.67 0.80 0.00 1.54 2.99 -1.26 -3.27 117.98 115.12 3i8i s PHE 82 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 56.93 56.19 3i8i s PHE 82 Cb 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 43.02 42.09 3i8i s PHE 82 CO -0.10 -0.62 0.00 0.66 -0.00 0.00 0.00 175.22 175.17 3i8i n TYR 83 N 5.11 0.00 -3.25 0.36 4.01 0.65 -4.06 117.16 119.97 3i8i n TYR 83 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.62 3i8i n TYR 83 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.47 3i8i n TYR 83 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3i8i s GLU 84 N 0.00 0.71 -0.30 -0.72 0.41 -1.20 -4.07 118.70 113.53 3i8i s GLU 84 Ca 0.00 -0.32 -0.20 0.00 -0.41 0.00 0.00 54.97 54.04 3i8i s GLU 84 Cb 0.00 -0.15 0.19 0.00 -1.78 0.00 0.00 34.13 32.39 3i8i s GLU 84 CO 0.00 -1.17 1.28 0.34 -0.49 0.00 0.00 175.26 175.23 3i8i s ASP 85 N 1.88 -0.13 -0.36 -0.19 3.68 -1.26 0.59 116.67 120.88 3i8i s ASP 85 Ca 0.15 0.23 0.08 0.00 2.13 0.00 0.00 52.55 55.14 3i8i s ASP 85 Cb -0.08 0.70 0.70 0.00 -1.45 0.00 0.00 42.92 42.78 3i8i s ASP 85 CO -0.10 -0.04 1.81 -0.81 0.13 0.00 0.00 175.17 176.16 3i8i n PRO 86 N 2.55 3.07 -2.72 4.34 -0.04 -1.26 -4.56 135.00 136.38 3i8i n PRO 86 Ca -0.15 -3.07 -0.08 0.00 -0.04 0.00 0.00 63.50 60.16 3i8i n PRO 86 Cb 0.57 -2.16 0.09 0.00 -0.04 0.00 0.00 33.50 31.96 3i8i n PRO 86 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3i8i n VAL 87 N -0.57 0.00 0.00 0.52 3.14 -1.26 -5.00 118.33 115.16 3i8i n VAL 87 Ca 0.46 -1.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.43 3i8i n VAL 87 Cb 1.44 1.45 0.00 0.00 -1.06 0.00 0.00 33.84 35.67 3i8i n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8i n ALA 88 N 0.37 0.00 0.00 1.55 0.00 -1.26 0.78 120.51 121.95 3i8i n ALA 88 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3i8i n ALA 88 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3i8i n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i n ALA 89 N -3.00 0.00 0.03 0.00 0.00 -1.24 0.33 120.51 116.63 3i8i n ALA 89 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i8i n ALA 89 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i8i n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8i h ALA 90 N 0.00 0.02 0.00 0.00 0.00 -1.76 -2.34 119.26 115.19 3i8i h ALA 90 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i8i h ALA 90 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i8i h ALA 90 CO 0.00 -0.48 -0.36 0.87 0.00 0.00 0.00 179.25 179.29 3i8i h LYS 91 N 0.01 0.00 -0.35 0.00 1.79 1.17 -1.67 116.57 117.52 3i8i h LYS 91 Ca 0.01 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 3i8i h LYS 91 Cb 0.01 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 3i8i h LYS 91 CO -0.00 0.36 -0.32 1.15 -1.08 0.00 0.00 179.45 179.55 3i8i h THR 92 N 0.00 0.00 0.00 -0.16 2.02 0.49 -2.96 112.91 112.31 3i8i h THR 92 Ca -0.00 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.89 3i8i h THR 92 Cb 1.25 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 3i8i h THR 92 CO 0.05 0.00 -1.62 -0.07 0.37 0.00 0.00 175.52 174.24 3i8i h LEU 93 N -0.14 0.02 -8.68 2.58 -0.00 -1.12 -3.28 115.31 104.68 3i8i h LEU 93 Ca 0.06 -0.03 -0.55 0.00 -0.00 0.00 0.00 57.88 57.35 3i8i h LEU 93 Cb 0.30 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 3i8i h LEU 93 CO -0.40 1.03 1.55 0.52 -0.00 0.00 0.00 178.44 181.14 3i8i n VAL 94 N -3.10 0.13 0.00 1.22 0.31 -0.63 0.12 118.33 116.37 3i8i n VAL 94 Ca -0.15 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 3i8i n VAL 94 Cb 1.04 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3i8i n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i8i n GLN 95 N 8.72 0.00 -3.54 5.55 6.02 -1.26 -4.59 117.38 128.27 3i8i n GLN 95 Ca 0.38 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.20 3i8i n GLN 95 Cb 0.41 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.61 3i8i n GLN 95 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3i8i s PHE 96 N -0.99 -0.62 0.00 1.08 0.08 0.32 -4.93 117.98 112.92 3i8i s PHE 96 Ca 0.00 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.15 3i8i s PHE 96 Cb 0.00 0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.86 3i8i s PHE 96 CO 0.00 -0.55 0.00 0.00 -0.10 0.00 0.00 175.22 174.57 3i8i n ALA 97 N 1.01 0.00 -0.83 5.36 0.00 -1.26 -1.77 120.51 123.02 3i8i n ALA 97 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 3i8i n ALA 97 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 3i8i n ALA 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 98 N -1.08 0.00 -2.35 0.00 3.00 -1.26 -4.72 118.16 111.76 3i8i n LYS 98 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 3i8i n LYS 98 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 35.03 34.41 3i8i n LYS 98 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3i8i s SER 99 N -0.60 6.17 0.28 3.14 1.04 -1.26 -4.80 113.70 117.66 3i8i s SER 99 Ca 0.38 2.17 -0.24 0.00 0.48 0.00 0.00 55.95 58.73 3i8i s SER 99 Cb -0.53 -2.59 -0.16 0.00 0.10 0.00 0.00 66.02 62.84 3i8i s SER 99 CO 0.34 -0.91 0.32 -0.46 0.98 0.00 0.00 173.24 173.51 3i8i n ASN 100 N -0.72 -1.93 -0.02 7.02 2.04 -1.26 -3.00 115.26 117.39 3i8i n ASN 100 Ca 0.08 0.97 -0.01 0.00 -0.44 0.00 0.00 54.58 55.18 3i8i n ASN 100 Cb 0.50 -0.90 -0.00 0.00 -2.53 0.00 0.00 39.78 36.85 3i8i n ASN 100 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 3i8i h PRO 101 N 0.68 -0.04 0.00 -0.53 0.13 -1.97 -3.52 132.00 126.76 3i8i h PRO 101 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i8i h PRO 101 Cb 1.41 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3i8i h PRO 101 CO 0.51 -0.03 0.00 1.17 -0.23 0.00 0.00 178.00 179.43 3i8i n LYS 102 N -4.24 0.00 -0.03 0.86 3.00 -1.16 -4.39 118.16 112.19 3i8i n LYS 102 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.33 3i8i n LYS 102 Cb 0.02 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.10 3i8i n LYS 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i8i n GLY 103 N 0.98 -0.09 0.00 3.14 0.00 -1.26 -4.30 105.19 103.66 3i8i n GLY 103 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i8i n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i8i n ILE 104 N -3.38 0.00 -3.33 -0.61 0.13 -1.26 -5.02 119.36 105.89 3i8i n ILE 104 Ca 0.04 0.00 -0.45 0.00 -1.10 0.00 0.00 62.75 61.24 3i8i n ILE 104 Cb 0.12 -0.29 -0.07 0.00 -0.84 0.00 0.00 39.64 38.57 3i8i n ILE 104 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 3i8i s PRO 105 N 0.91 3.00 0.24 9.51 0.04 -1.26 -5.03 135.00 142.42 3i8i s PRO 105 Ca 0.00 -1.36 0.00 0.00 0.04 0.00 0.00 61.00 59.68 3i8i s PRO 105 Cb 0.00 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.38 3i8i s PRO 105 CO 0.00 -1.13 0.00 1.04 0.04 0.00 0.00 177.00 176.95 3i8i n GLN 106 N 5.38 -0.13 0.00 4.56 6.02 -1.26 -5.00 117.38 126.94 3i8i n GLN 106 Ca -0.12 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3i8i n GLN 106 Cb 0.43 -0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.53 3i8i n GLN 106 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i8i n VAL 107 N -0.54 0.00 0.00 5.09 0.31 -1.26 -4.89 118.33 117.04 3i8i n VAL 107 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i8i n VAL 107 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3i8i n VAL 107 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i8i n LYS 108 N 0.00 0.00 -3.97 5.55 0.00 -1.26 -5.18 118.16 113.30 3i8i n LYS 108 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.21 3i8i n LYS 108 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3i8i n LYS 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3i8i s SER 109 N -4.00 0.14 0.00 3.14 1.04 -1.26 -5.09 113.70 107.66 3i8i s SER 109 Ca 0.00 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3i8i s SER 109 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3i8i s SER 109 CO 0.00 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.54 3i8i n GLY 110 N -0.46 1.70 3.51 7.32 0.00 -1.26 -4.49 105.19 111.52 3i8i n GLY 110 Ca -0.02 0.22 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 3i8i n GLY 110 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i8i s LEU 111 N 0.00 -0.35 0.00 0.99 -0.00 1.33 -2.72 118.68 117.93 3i8i s LEU 111 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 54.13 54.14 3i8i s LEU 111 Cb 0.00 1.97 0.00 0.00 -0.00 0.00 0.00 46.19 48.16 3i8i s LEU 111 CO 0.00 -0.58 0.00 0.18 -0.00 0.00 0.00 176.35 175.95 3i8i n LEU 112 N -0.20 0.00 0.00 1.48 4.77 -0.65 0.63 117.00 123.03 3i8i n LEU 112 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3i8i n LEU 112 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3i8i n LEU 112 CO 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.17 3i8i n GLN 113 N 0.00 0.00 0.00 3.23 10.64 -0.88 -3.43 117.38 126.94 3i8i n GLN 113 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3i8i n GLN 113 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3i8i n GLN 113 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i8i n GLY 114 N 0.00 0.06 0.00 2.61 0.00 0.00 -0.17 105.19 107.70 3i8i n GLY 114 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3i8i n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i8i n GLN 115 N -0.07 0.00 -2.57 1.61 -0.06 -1.26 0.17 117.38 115.19 3i8i n GLN 115 Ca 0.00 -0.11 -0.12 0.00 -2.00 0.00 0.00 57.00 54.77 3i8i n GLN 115 Cb 0.00 -0.31 0.03 0.00 -4.06 0.00 0.00 30.24 25.90 3i8i n GLN 115 CO 0.00 0.00 0.00 1.51 -0.20 0.00 0.00 177.06 178.37 3i8i n ILE 116 N 0.00 1.59 0.00 1.69 0.13 -1.26 -5.06 119.36 116.45 3i8i n ILE 116 Ca 0.00 -3.56 0.00 0.00 -1.10 0.00 0.00 62.75 58.09 3i8i n ILE 116 Cb 0.34 0.20 0.00 0.00 -0.84 0.00 0.00 39.64 39.34 3i8i n ILE 116 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3i8i n LEU 117 N -0.41 0.00 0.00 9.51 7.99 -1.26 -5.02 117.00 127.81 3i8i n LEU 117 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 3i8i n LEU 117 Cb 0.81 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.12 3i8i n LEU 117 CO 0.24 0.00 0.00 1.07 -1.51 0.00 0.00 177.39 177.19 3i8i n THR 118 N 0.00 0.00 -1.02 -5.08 5.66 -1.26 -4.50 114.28 108.08 3i8i n THR 118 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i8i n THR 118 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i8i n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i8i n ALA 119 N -3.00 0.00 0.00 1.79 0.00 -1.01 0.24 120.51 118.53 3i8i n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8i n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8i n ALA 119 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i8i n LYS 120 N -0.06 0.00 0.00 0.00 4.76 5.54 -3.81 118.16 124.59 3i8i n LYS 120 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i8i n LYS 120 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i8i n LYS 120 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i8i n ASP 121 N 0.00 0.00 0.00 4.39 -0.08 -1.26 -3.60 116.55 116.00 3i8i n ASP 121 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3i8i n ASP 121 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3i8i n ASP 121 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3i8i n VAL 122 N 0.00 0.00 0.00 5.18 0.24 -1.26 -1.88 118.33 120.61 3i8i n VAL 122 Ca 0.00 0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 3i8i n VAL 122 Cb 0.00 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 3i8i n VAL 122 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i8i n GLU 123 N 0.00 0.00 0.03 7.34 4.07 -1.26 0.39 120.64 131.21 3i8i n GLU 123 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 3i8i n GLU 123 Cb 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.24 3i8i n GLU 123 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i8i h ALA 124 N 0.00 0.01 -0.15 4.31 0.00 -1.94 -2.80 119.26 118.69 3i8i h ALA 124 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 54.91 53.91 3i8i h ALA 124 Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3i8i h ALA 124 CO 0.00 0.54 -0.52 1.25 0.00 0.00 0.00 179.25 180.52 3i8i h LEU 125 N -0.37 0.72 0.00 0.00 5.85 0.63 -3.42 115.31 118.73 3i8i h LEU 125 Ca -0.20 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 57.92 3i8i h LEU 125 Cb 1.67 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3i8i h LEU 125 CO 0.11 1.20 0.00 0.00 -0.34 0.00 0.00 178.44 179.41 3i8i n ALA 126 N -2.55 0.00 0.00 1.25 0.00 1.27 -3.65 120.51 116.83 3i8i n ALA 126 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3i8i n ALA 126 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3i8i n ALA 126 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i8i n GLU 127 N -0.81 0.00 0.00 0.00 4.07 -1.05 -4.41 120.64 118.43 3i8i n GLU 127 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i8i n GLU 127 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i8i n GLU 127 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 3i8i n LEU 128 N 0.00 0.00 0.00 4.31 7.99 -1.26 -4.73 117.00 123.31 3i8i n LEU 128 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i8i n LEU 128 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3i8i n LEU 128 CO 0.00 0.00 0.00 -0.81 -1.51 0.00 0.00 177.39 175.07 3i8i n PRO 129 N 0.00 0.00 0.00 3.23 -0.05 -1.26 -4.79 135.00 132.13 3i8i n PRO 129 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3i8i n PRO 129 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3i8i n PRO 129 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 3i8i n THR 130 N -1.30 0.00 -2.23 0.52 -1.04 -1.26 -4.63 114.28 104.34 3i8i n THR 130 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3i8i n THR 130 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 3i8i n THR 130 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3i8i n MET 131 N 0.00 -1.71 0.00 -2.82 1.56 -1.26 -4.13 117.12 108.76 3i8i n MET 131 Ca 0.00 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 3i8i n MET 131 Cb 0.00 -2.67 0.00 0.00 2.15 0.00 0.00 33.22 32.70 3i8i n MET 131 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 3i8i n ASP 132 N -0.96 0.00 -0.04 6.12 -0.08 -1.26 -0.30 116.55 120.03 3i8i n ASP 132 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 3i8i n ASP 132 Cb 0.28 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.74 3i8i n ASP 132 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 3i8i n GLU 133 N 0.00 0.00 0.00 -0.67 0.28 -1.26 0.98 120.64 119.97 3i8i n GLU 133 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 3i8i n GLU 133 Cb 0.00 -0.22 0.03 0.00 1.43 0.00 0.00 31.44 32.67 3i8i n GLU 133 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 3i8i n LEU 134 N 0.00 1.46 -0.00 -1.84 -0.00 0.59 -1.77 117.00 115.43 3i8i n LEU 134 Ca 0.00 -0.55 0.10 0.00 -0.00 0.00 0.00 56.01 55.55 3i8i n LEU 134 Cb 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 43.42 43.26 3i8i n LEU 134 CO 0.00 0.29 -0.31 -1.14 -0.00 0.00 0.00 177.39 176.24 3i8i n ARG 135 N -0.69 0.54 0.06 1.47 3.00 0.27 0.99 116.66 122.30 3i8i n ARG 135 Ca 0.08 -0.07 -0.16 0.00 -0.00 0.00 0.00 57.85 57.70 3i8i n ARG 135 Cb 0.40 -1.45 -0.14 0.00 0.00 0.00 0.00 32.46 31.27 3i8i n ARG 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8i h ALA 136 N 2.44 0.30 0.00 5.13 0.00 -1.72 1.13 119.26 126.53 3i8i h ALA 136 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 54.91 53.62 3i8i h ALA 136 Cb 0.64 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3i8i h ALA 136 CO 0.00 1.17 -0.84 1.05 0.00 0.00 0.00 179.25 180.63 3i8i h GLU 137 N 0.06 0.10 0.00 0.00 4.11 -1.30 -3.30 114.58 114.24 3i8i h GLU 137 Ca -0.23 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.10 3i8i h GLU 137 Cb 2.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.28 3i8i h GLU 137 CO 0.16 0.87 0.00 -0.11 0.07 0.00 0.00 179.01 180.00 3i8i n LEU 138 N -3.62 0.00 0.00 3.06 7.94 0.28 -4.24 117.00 120.41 3i8i n LEU 138 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3i8i n LEU 138 Cb 0.79 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.74 3i8i n LEU 138 CO 0.46 0.00 0.00 0.55 -1.11 0.00 0.00 177.39 177.29 3i8i n VAL 139 N 0.00 0.00 0.00 1.96 3.14 0.39 -3.05 118.33 120.77 3i8i n VAL 139 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8i n VAL 139 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8i n VAL 139 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8i n GLY 140 N 0.00 -1.38 0.00 7.55 0.00 -1.26 -5.05 105.19 105.04 3i8i n GLY 140 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3i8i n GLY 140 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i8i n VAL 141 N 0.00 0.00 0.00 1.61 3.14 -1.17 -4.95 118.33 116.96 3i8i n VAL 141 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i8i n VAL 141 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i8i n VAL 141 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3i8i n LEU 142 N 0.00 0.00 0.00 6.55 -0.00 -1.26 -4.53 117.00 117.76 3i8i n LEU 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8i n LEU 142 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8i n LEU 142 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3i8i n GLN 143 N 0.00 0.00 -0.60 1.96 1.13 -1.26 -4.71 117.38 113.89 3i8i n GLN 143 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 3i8i n GLN 143 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 3i8i n GLN 143 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8i n ALA 144 N 0.00 -3.67 0.00 -1.58 0.00 -1.26 -5.26 120.51 108.74 3i8i n ALA 144 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3i8i n ALA 144 Cb 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3i8i n ALA 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15