#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n LYS 2 N 0.00 0.60 -3.73 2.12 4.76 -1.26 -3.34 118.16 117.32 2x9s n LYS 2 Ca 0.00 0.22 -0.14 0.00 -2.87 0.00 0.00 58.31 55.53 2x9s n LYS 2 Cb 0.00 -1.59 -0.09 0.00 -1.84 0.00 0.00 35.03 31.51 2x9s n LYS 2 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2x9s s VAL 3 N -1.54 0.03 -0.28 -0.18 1.01 0.31 -2.69 120.40 117.06 2x9s s VAL 3 Ca 0.64 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 2x9s s VAL 3 Cb -0.55 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2x9s s VAL 3 CO 0.57 -0.15 0.08 -0.63 0.00 0.00 0.00 175.10 174.98 2x9s s ILE 4 N -0.83 4.16 0.00 2.22 1.01 -0.91 -0.79 121.20 126.06 2x9s s ILE 4 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2x9s s ILE 4 Cb -0.04 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2x9s s ILE 4 CO 0.04 0.18 0.00 0.18 0.00 0.00 0.00 174.94 175.33 2x9s n LEU 5 N 4.90 0.00 0.00 2.97 4.77 -0.96 -1.54 117.00 127.15 2x9s n LEU 5 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2x9s n LEU 5 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2x9s n LEU 5 CO 0.32 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.56 2x9s n LEU 6 N 0.00 0.00 -4.50 2.23 4.77 -1.14 -4.15 117.00 114.22 2x9s n LEU 6 Ca 0.00 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.46 2x9s n LEU 6 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2x9s n LEU 6 CO 0.00 0.00 0.45 -0.62 -1.33 0.00 0.00 177.39 175.89 2x9s n GLU 7 N 0.00 0.38 -1.91 3.23 4.71 -1.26 -0.67 120.64 125.11 2x9s n GLU 7 Ca 0.00 0.13 -0.38 0.00 -0.01 0.00 0.00 57.16 56.90 2x9s n GLU 7 Cb 0.00 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 28.92 2x9s n GLU 7 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2x9s s PRO 8 N -0.42 2.58 0.26 3.49 0.04 -1.26 -4.43 135.00 135.26 2x9s s PRO 8 Ca 0.77 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2x9s s PRO 8 Cb -1.03 -4.42 -0.09 0.00 0.04 0.00 0.00 34.50 29.00 2x9s s PRO 8 CO 0.55 -2.76 0.73 -0.51 0.04 0.00 0.00 177.00 175.05 2x9s s LEU 9 N 9.62 4.24 0.59 -3.56 1.02 -1.17 -4.73 118.68 124.68 2x9s s LEU 9 Ca 0.77 1.37 -0.20 0.00 0.02 0.00 0.00 54.13 56.09 2x9s s LEU 9 Cb -0.15 -3.77 -0.03 0.00 0.02 0.00 0.00 46.19 42.25 2x9s s LEU 9 CO 0.24 -0.06 1.29 -0.70 0.02 0.00 0.00 176.35 177.14 2x9s s GLU 10 N -2.35 2.93 0.00 1.70 -6.30 -1.26 -2.24 118.70 111.18 2x9s s GLU 10 Ca 0.47 2.06 0.00 0.00 -2.50 0.00 0.00 54.97 55.00 2x9s s GLU 10 Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 34.13 31.94 2x9s s GLU 10 CO 0.20 -1.30 0.00 -1.71 0.02 0.00 0.00 175.26 172.46 2x9s n ASN 11 N -1.44 0.00 0.00 -1.70 5.15 -1.26 -4.78 115.26 111.23 2x9s n ASN 11 Ca 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 2x9s n ASN 11 Cb 0.47 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 2x9s n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x9s n LEU 12 N 0.00 0.00 0.00 1.20 -0.00 -0.95 -5.16 117.00 112.09 2x9s n LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2x9s n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2x9s n LEU 12 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2x9s n GLY 13 N 0.00 3.95 2.88 1.47 0.00 -1.06 -3.07 105.19 109.36 2x9s n GLY 13 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 2x9s n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2x9s n ASP 14 N 0.00 -7.59 -2.00 1.61 8.00 -1.26 -4.39 116.55 110.92 2x9s n ASP 14 Ca 0.00 1.07 -0.18 0.00 0.71 0.00 0.00 54.79 56.38 2x9s n ASP 14 Cb 0.00 -4.26 0.01 0.00 -0.02 0.00 0.00 41.12 36.85 2x9s n ASP 14 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2x9s n VAL 15 N 0.77 0.00 0.00 2.53 3.14 0.15 -1.37 118.33 123.56 2x9s n VAL 15 Ca 0.01 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 2x9s n VAL 15 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 2x9s n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2x9s n GLY 16 N 1.28 2.23 3.73 7.55 0.00 -1.26 -4.83 105.19 113.89 2x9s n GLY 16 Ca 0.03 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2x9s n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2x9s n GLN 17 N 0.00 1.88 -4.04 1.61 7.27 -0.47 -4.66 117.38 118.97 2x9s n GLN 17 Ca 0.00 0.68 -0.34 0.00 0.07 0.00 0.00 57.00 57.41 2x9s n GLN 17 Cb 0.00 -2.53 -0.06 0.00 2.41 0.00 0.00 30.24 30.06 2x9s n GLN 17 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2x9s s VAL 18 N -1.25 4.99 0.02 1.69 1.01 -1.26 -2.26 120.40 123.35 2x9s s VAL 18 Ca 0.66 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2x9s s VAL 18 Cb -0.45 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2x9s s VAL 18 CO 0.54 0.40 0.16 0.54 0.00 0.00 0.00 175.10 176.74 2x9s s VAL 19 N -1.18 0.10 -0.76 2.92 0.11 0.03 -4.94 120.40 116.67 2x9s s VAL 19 Ca 0.22 -0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 58.30 2x9s s VAL 19 Cb -0.12 -0.70 0.18 0.00 -1.53 0.00 0.00 36.38 34.21 2x9s s VAL 19 CO 0.13 -0.45 0.74 -0.62 -3.33 0.00 0.00 175.10 171.57 2x9s s ASP 20 N -1.77 6.59 0.53 3.54 2.15 -1.26 -0.53 116.67 125.92 2x9s s ASP 20 Ca -0.09 -2.36 0.01 0.00 0.43 0.00 0.00 52.55 50.53 2x9s s ASP 20 Cb -0.04 -2.23 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 2x9s s ASP 20 CO -0.01 -0.71 0.52 1.33 -0.17 0.00 0.00 175.17 176.12 2x9s n VAL 21 N 4.48 0.00 -3.86 1.11 0.24 -1.21 -4.84 118.33 114.26 2x9s n VAL 21 Ca 0.07 -0.87 -0.36 0.00 -2.04 0.00 0.00 64.34 61.15 2x9s n VAL 21 Cb 0.45 -1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 31.69 2x9s n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2x9s s LYS 22 N -3.77 3.81 0.24 7.34 1.02 -1.26 -3.91 119.74 123.22 2x9s s LYS 22 Ca 0.35 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.16 2x9s s LYS 22 Cb -0.02 -3.27 0.65 0.00 -0.52 0.00 0.00 37.83 34.67 2x9s s LYS 22 CO 0.23 0.50 1.20 -2.30 -0.92 0.00 0.00 175.35 174.07 2x9s n PRO 23 N 2.85 -0.06 -0.04 -1.68 -0.02 -1.26 -0.10 135.00 134.70 2x9s n PRO 23 Ca -0.18 1.14 -0.09 0.00 -2.02 0.00 0.00 63.50 62.35 2x9s n PRO 23 Cb 0.53 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 2x9s n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2x9s h GLY 24 N 0.00 0.20 0.60 -1.23 0.00 -1.99 -0.94 103.07 99.71 2x9s h GLY 24 Ca 0.49 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.87 2x9s h GLY 24 CO -0.70 -0.02 -0.07 -1.82 0.00 0.00 0.00 176.54 173.92 2x9s h TYR 25 N 0.09 -0.16 0.09 5.60 -0.00 -0.90 -0.45 116.97 121.22 2x9s h TYR 25 Ca 0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 58.73 58.83 2x9s h TYR 25 Cb 0.10 0.10 -0.00 0.00 -0.00 0.00 0.00 36.73 36.93 2x9s h TYR 25 CO -0.16 -0.11 -0.05 0.00 -0.00 0.00 0.00 178.16 177.83 2x9s h ALA 26 N 1.10 -0.94 -0.55 1.82 0.00 -1.27 -0.27 119.26 119.16 2x9s h ALA 26 Ca 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2x9s h ALA 26 Cb 0.18 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2x9s h ALA 26 CO -0.20 -0.93 0.06 0.00 0.00 0.00 0.00 179.25 178.17 2x9s h ARG 27 N -0.13 0.18 0.00 0.00 3.08 -1.18 -1.53 114.38 114.79 2x9s h ARG 27 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2x9s h ARG 27 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2x9s h ARG 27 CO 0.01 0.12 -0.85 0.09 -1.07 0.00 0.00 179.97 178.26 2x9s n ASN 28 N -5.18 0.66 0.07 7.04 3.02 -0.18 -4.25 115.26 116.43 2x9s n ASN 28 Ca 0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2x9s n ASN 28 Cb 0.29 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 2x9s n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x9s n TYR 29 N -2.10 -0.81 0.01 3.10 9.36 -0.35 -4.72 117.16 121.66 2x9s n TYR 29 Ca 0.02 0.14 -0.01 0.00 3.32 0.00 0.00 57.90 61.38 2x9s n TYR 29 Cb 0.45 0.25 -0.01 0.00 -0.63 0.00 0.00 39.34 39.40 2x9s n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2x9s h LEU 30 N 0.00 -0.08 -1.00 2.98 3.38 -0.78 -2.61 115.31 117.19 2x9s h LEU 30 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2x9s h LEU 30 Cb 0.17 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2x9s h LEU 30 CO 0.00 -0.03 0.45 -0.07 0.09 0.00 0.00 178.44 178.88 2x9s h LEU 31 N -0.05 1.03 -0.46 1.67 4.07 -1.49 0.88 115.31 120.95 2x9s h LEU 31 Ca -0.00 -0.09 0.09 0.00 0.08 0.00 0.00 57.88 57.96 2x9s h LEU 31 Cb 0.05 -0.26 -0.08 0.00 1.08 0.00 0.00 40.66 41.44 2x9s h LEU 31 CO -0.01 0.83 -0.09 -0.65 -1.08 0.00 0.00 178.44 177.44 2x9s h PRO 32 N 1.16 0.02 -0.01 1.13 0.11 -1.73 -0.97 132.00 131.71 2x9s h PRO 32 Ca 0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2x9s h PRO 32 Cb 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2x9s h PRO 32 CO -0.05 0.02 -0.10 0.54 -0.21 0.00 0.00 178.00 178.20 2x9s n ARG 33 N -5.31 1.36 -2.50 1.05 1.74 -0.99 -4.99 116.66 107.02 2x9s n ARG 33 Ca 0.04 -0.81 -0.07 0.00 -0.77 0.00 0.00 57.85 56.24 2x9s n ARG 33 Cb 0.25 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.24 2x9s n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2x9s n GLY 34 N 1.24 -0.39 0.13 -0.13 0.00 0.18 -4.96 105.19 101.26 2x9s n GLY 34 Ca 0.16 0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.46 2x9s n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x9s n LEU 35 N -2.33 0.94 -3.91 0.99 4.77 -0.47 -4.98 117.00 112.01 2x9s n LEU 35 Ca -0.03 -0.62 -0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2x9s n LEU 35 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 2x9s n LEU 35 CO 0.34 0.20 0.95 0.00 -1.33 0.00 0.00 177.39 177.55 2x9s s ALA 36 N -1.88 -2.01 0.10 -1.18 0.00 -1.26 -2.87 121.76 112.66 2x9s s ALA 36 Ca 0.07 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.98 2x9s s ALA 36 Cb 0.09 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2x9s s ALA 36 CO 0.41 -1.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.01 2x9s s VAL 37 N -2.15 1.20 0.35 0.00 1.01 -0.59 -4.40 120.40 115.82 2x9s s VAL 37 Ca 0.24 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.41 2x9s s VAL 37 Cb -0.01 -1.32 -0.12 0.00 0.00 0.00 0.00 36.38 34.93 2x9s s VAL 37 CO 0.02 -0.34 1.41 -0.11 0.00 0.00 0.00 175.10 176.07 2x9s n LEU 38 N 0.86 4.15 -1.62 3.92 0.00 -1.26 -2.14 117.00 120.91 2x9s n LEU 38 Ca -0.18 1.21 0.00 0.00 0.00 0.00 0.00 56.01 57.04 2x9s n LEU 38 Cb 0.56 -1.55 0.00 0.00 0.00 0.00 0.00 43.42 42.43 2x9s n LEU 38 CO 0.25 -0.14 0.48 0.00 0.00 0.00 0.00 177.39 177.97 2x9s n ALA 39 N 0.59 2.68 -1.77 1.96 0.00 -1.10 -4.73 120.51 118.15 2x9s n ALA 39 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 2x9s n ALA 39 Cb 0.37 -1.40 0.02 0.00 0.00 0.00 0.00 19.45 18.44 2x9s n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2x9s s THR 40 N 0.87 2.01 -2.00 0.00 -4.23 -1.26 -4.76 115.64 106.28 2x9s s THR 40 Ca 0.00 0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 2x9s s THR 40 Cb 0.00 -3.01 0.14 0.00 1.34 0.00 0.00 72.50 70.97 2x9s s THR 40 CO 0.00 0.00 0.76 -0.62 -0.54 0.00 0.00 174.62 174.22 2x9s n GLU 41 N -0.21 0.49 0.02 3.99 1.02 -1.26 -0.54 120.64 124.16 2x9s n GLU 41 Ca 0.05 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 2x9s n GLU 41 Cb 0.42 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 2x9s n GLU 41 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2x9s n SER 42 N -0.65 0.47 -0.00 1.62 2.88 -1.26 -3.70 113.62 112.97 2x9s n SER 42 Ca 0.04 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2x9s n SER 42 Cb 0.02 1.19 -0.00 0.00 -0.75 0.00 0.00 64.21 64.67 2x9s n SER 42 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2x9s n ASN 43 N -2.15 0.16 0.22 -3.46 3.02 -0.42 -3.73 115.26 108.91 2x9s n ASN 43 Ca -0.00 -0.58 0.12 0.00 -0.03 0.00 0.00 54.58 54.09 2x9s n ASN 43 Cb 0.49 0.87 0.24 0.00 -0.61 0.00 0.00 39.78 40.77 2x9s n ASN 43 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2x9s h LEU 44 N 0.02 0.00 0.00 3.41 5.85 -0.95 0.06 115.31 123.69 2x9s h LEU 44 Ca 0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.36 2x9s h LEU 44 Cb 0.01 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 2x9s h LEU 44 CO 0.00 0.03 -2.36 2.29 -0.34 0.00 0.00 178.44 178.06 2x9s n LYS 45 N -3.11 0.72 0.33 1.25 2.85 -1.24 -3.54 118.16 115.42 2x9s n LYS 45 Ca 0.03 0.08 0.21 0.00 -1.05 0.00 0.00 58.31 57.58 2x9s n LYS 45 Cb 0.51 -1.49 1.13 0.00 -0.65 0.00 0.00 35.03 34.53 2x9s n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2x9s h ALA 46 N 0.40 1.08 0.00 0.58 0.00 -1.62 0.48 119.26 120.19 2x9s h ALA 46 Ca -0.54 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 2x9s h ALA 46 Cb 1.99 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.75 2x9s h ALA 46 CO -0.04 0.00 -1.63 -0.11 0.00 0.00 0.00 179.25 177.48 2x9s n LEU 47 N -3.20 0.58 -0.09 0.00 7.94 -0.00 -2.41 117.00 119.81 2x9s n LEU 47 Ca -0.03 0.25 -0.08 0.00 -1.11 0.00 0.00 56.01 55.04 2x9s n LEU 47 Cb 0.09 0.12 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 2x9s n LEU 47 CO 0.22 0.14 0.99 -0.08 -1.11 0.00 0.00 177.39 177.55 2x9s h GLU 48 N 0.00 0.37 0.43 1.96 4.22 -0.14 -0.11 114.58 121.31 2x9s h GLU 48 Ca -0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.21 2x9s h GLU 48 Cb 1.54 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.71 2x9s h GLU 48 CO 0.03 0.25 -0.21 0.00 -2.18 0.00 0.00 179.01 176.90 2x9s h ALA 49 N 1.13 -0.58 -1.55 2.92 0.00 -1.28 -2.00 119.26 117.90 2x9s h ALA 49 Ca 0.12 -0.19 0.47 0.00 0.00 0.00 0.00 54.91 55.31 2x9s h ALA 49 Cb -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 2x9s h ALA 49 CO -0.05 -0.65 1.08 0.00 0.00 0.00 0.00 179.25 179.63 2x9s h ARG 50 N -0.95 0.04 0.00 0.00 3.08 -1.33 0.56 114.38 115.79 2x9s h ARG 50 Ca -0.06 -0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.79 2x9s h ARG 50 Cb 0.57 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2x9s h ARG 50 CO 0.10 0.03 -1.00 0.82 -1.07 0.00 0.00 179.97 178.84 2x9s h ILE 51 N 0.05 1.32 0.07 2.04 1.08 -0.73 -3.34 117.51 117.99 2x9s h ILE 51 Ca 0.81 -2.96 -0.22 0.00 -0.39 0.00 0.00 64.86 62.10 2x9s h ILE 51 Cb 2.96 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 39.33 2x9s h ILE 51 CO -0.16 0.75 -1.17 0.08 -0.69 0.00 0.00 178.15 176.96 2x9s h ARG 52 N 0.00 0.14 -1.09 2.37 0.11 0.80 -2.94 114.38 113.77 2x9s h ARG 52 Ca -0.06 -0.24 0.33 0.00 0.10 0.00 0.00 59.98 60.12 2x9s h ARG 52 Cb 1.70 0.09 -0.13 0.00 1.11 0.00 0.00 29.97 32.74 2x9s h ARG 52 CO 0.10 1.11 0.67 0.00 0.10 0.00 0.00 179.97 181.95 2x9s h ALA 53 N -0.16 2.21 0.08 0.08 0.00 -1.30 -0.01 119.26 120.16 2x9s h ALA 53 Ca -0.27 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 2x9s h ALA 53 Cb 1.53 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 2x9s h ALA 53 CO -0.02 -0.77 -1.34 0.37 0.00 0.00 0.00 179.25 177.49 2x9s h GLN 54 N 0.30 0.16 0.36 0.00 4.15 -1.71 -3.20 115.11 115.15 2x9s h GLN 54 Ca 0.72 -0.28 -0.00 0.00 0.77 0.00 0.00 58.65 59.86 2x9s h GLN 54 Cb 1.83 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 29.60 2x9s h GLN 54 CO -0.47 1.13 -0.50 0.00 -1.93 0.00 0.00 178.83 177.06 2x9s h ALA 55 N -0.15 -1.04 0.34 3.38 0.00 -1.01 -0.03 119.26 120.75 2x9s h ALA 55 Ca -0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2x9s h ALA 55 Cb 1.61 0.76 0.00 0.00 0.00 0.00 0.00 17.79 20.17 2x9s h ALA 55 CO -0.02 -1.14 -0.16 -0.22 0.00 0.00 0.00 179.25 177.71 2x9s h LYS 56 N -0.89 -0.44 0.00 0.00 1.63 -1.28 -3.12 116.57 112.47 2x9s h LYS 56 Ca -0.04 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2x9s h LYS 56 Cb 0.82 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2x9s h LYS 56 CO -0.14 -0.16 0.42 -0.09 -3.45 0.00 0.00 179.45 176.02 2x9s h ARG 57 N -1.02 0.00 0.00 1.90 2.43 -1.64 0.76 114.38 116.81 2x9s h ARG 57 Ca -0.05 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2x9s h ARG 57 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2x9s h ARG 57 CO 0.08 0.00 -0.30 1.25 -1.51 0.00 0.00 179.97 179.49 2x9s h LEU 58 N 0.00 0.00 -8.06 3.80 5.85 -0.92 -3.37 115.31 112.62 2x9s h LEU 58 Ca 0.00 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 58.25 2x9s h LEU 58 Cb 0.84 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.80 2x9s h LEU 58 CO 0.00 0.30 1.34 0.00 -0.34 0.00 0.00 178.44 179.74 2x9s s ALA 59 N -3.67 2.33 0.00 1.25 0.00 0.26 -2.98 121.76 118.96 2x9s s ALA 59 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2x9s s ALA 59 Cb 0.11 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.63 2x9s s ALA 59 CO 0.66 -4.27 0.00 -1.91 0.00 0.00 0.00 175.76 170.24 2x9s n GLU 60 N 8.63 0.00 -0.06 0.00 4.07 -1.26 -4.61 120.64 127.41 2x9s n GLU 60 Ca 0.41 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.52 2x9s n GLU 60 Cb 0.48 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.89 2x9s n GLU 60 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2x9s n ARG 61 N 0.00 1.27 -0.19 5.31 3.00 -1.16 -1.68 116.66 123.22 2x9s n ARG 61 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 57.85 57.55 2x9s n ARG 61 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.17 2x9s n ARG 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2x9s n LYS 62 N -0.13 0.00 0.00 5.56 0.00 -1.21 -4.94 118.16 117.45 2x9s n LYS 62 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 2x9s n LYS 62 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.22 2x9s n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2x9s n ALA 63 N 0.00 1.74 0.25 3.14 0.00 -1.21 -4.79 120.51 119.64 2x9s n ALA 63 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2x9s n ALA 63 Cb 0.26 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.15 2x9s n ALA 63 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2x9s h GLU 64 N 0.00 0.00 -1.54 0.00 4.22 -1.57 -3.21 114.58 112.47 2x9s h GLU 64 Ca 0.00 0.00 0.48 0.00 0.08 0.00 0.00 59.36 59.92 2x9s h GLU 64 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 2x9s h GLU 64 CO 0.00 0.00 1.05 0.00 -2.18 0.00 0.00 179.01 177.89 2x9s h ALA 65 N 2.00 3.17 -1.00 2.92 0.00 -1.87 0.81 119.26 125.30 2x9s h ALA 65 Ca -0.00 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.07 2x9s h ALA 65 Cb 0.75 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 2x9s h ALA 65 CO 0.00 -1.76 0.63 0.93 0.00 0.00 0.00 179.25 179.04 2x9s h GLU 66 N 0.04 0.97 0.00 0.00 4.39 -1.93 0.69 114.58 118.75 2x9s h GLU 66 Ca 0.85 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.41 2x9s h GLU 66 Cb 2.99 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 31.41 2x9s h GLU 66 CO -0.25 0.64 -0.38 0.00 -1.16 0.00 0.00 179.01 177.86 2x9s h ARG 67 N 1.00 0.00 0.00 2.33 3.08 0.38 -1.53 114.38 119.64 2x9s h ARG 67 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.54 2x9s h ARG 67 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2x9s h ARG 67 CO -0.26 0.38 -0.02 -0.11 -1.07 0.00 0.00 179.97 178.89 2x9s n LEU 68 N -4.04 0.49 -0.10 3.04 0.00 0.22 -3.56 117.00 113.05 2x9s n LEU 68 Ca -0.02 0.53 -0.12 0.00 0.00 0.00 0.00 56.01 56.40 2x9s n LEU 68 Cb 0.42 -0.39 -0.10 0.00 0.00 0.00 0.00 43.42 43.35 2x9s n LEU 68 CO 0.39 -0.10 -1.13 2.29 0.00 0.00 0.00 177.39 178.84 2x9s n LYS 69 N -1.95 0.78 -0.15 1.96 2.85 0.02 -4.06 118.16 117.60 2x9s n LYS 69 Ca 0.06 0.08 -0.06 0.00 -1.05 0.00 0.00 58.31 57.34 2x9s n LYS 69 Cb 0.39 -1.41 0.03 0.00 -0.65 0.00 0.00 35.03 33.39 2x9s n LYS 69 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2x9s h GLU 70 N 0.00 0.53 -0.09 -1.58 4.39 -1.42 -1.41 114.58 115.00 2x9s h GLU 70 Ca -0.45 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.24 2x9s h GLU 70 Cb 1.80 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 2x9s h GLU 70 CO -0.04 0.35 -0.02 -0.84 -1.16 0.00 0.00 179.01 177.29 2x9s h ILE 71 N 0.54 0.90 0.00 3.13 3.07 -1.79 -3.41 117.51 119.96 2x9s h ILE 71 Ca 0.19 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.60 2x9s h ILE 71 Cb 0.02 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 2x9s h ILE 71 CO -0.09 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.19 2x9s n LEU 72 N -5.14 0.00 0.00 0.16 4.77 -0.85 -4.50 117.00 111.44 2x9s n LEU 72 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2x9s n LEU 72 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2x9s n LEU 72 CO 0.29 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.56 2x9s n GLU 73 N 0.00 0.00 0.00 3.23 4.07 -0.59 -1.38 120.64 125.97 2x9s n GLU 73 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2x9s n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2x9s n GLU 73 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2x9s n ASN 74 N 0.24 0.35 -4.94 4.31 0.23 -1.26 -4.65 115.26 109.55 2x9s n ASN 74 Ca 0.00 -1.63 -0.20 0.00 -0.53 0.00 0.00 54.58 52.21 2x9s n ASN 74 Cb 0.00 -0.18 0.05 0.00 -2.08 0.00 0.00 39.78 37.57 2x9s n ASN 74 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2x9s s LEU 75 N -0.57 3.28 -0.07 -4.53 2.96 -0.48 -5.13 118.68 114.15 2x9s s LEU 75 Ca 0.00 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2x9s s LEU 75 Cb 0.00 -2.42 0.04 0.00 0.50 0.00 0.00 46.19 44.31 2x9s s LEU 75 CO 0.00 -1.22 0.15 -0.89 -1.32 0.00 0.00 176.35 173.07 2x9s s THR 76 N -2.71 -0.05 0.00 3.68 2.01 -1.26 -4.38 115.64 112.93 2x9s s THR 76 Ca 0.59 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.76 2x9s s THR 76 Cb -0.08 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.17 2x9s s THR 76 CO 0.38 0.07 0.00 0.18 -0.69 0.00 0.00 174.62 174.56 2x9s n LEU 77 N 4.17 0.85 -1.38 4.42 4.77 -0.47 -5.00 117.00 124.36 2x9s n LEU 77 Ca -0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2x9s n LEU 77 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2x9s n LEU 77 CO 0.18 0.00 -0.19 0.41 -1.33 0.00 0.00 177.39 176.46 2x9s n THR 78 N -0.19 -6.52 -4.51 -5.08 -1.04 -1.22 -4.80 114.28 90.91 2x9s n THR 78 Ca 0.00 1.28 -0.21 0.00 -2.04 0.00 0.00 64.05 63.08 2x9s n THR 78 Cb 0.00 -3.92 -0.15 0.00 -1.82 0.00 0.00 70.33 64.44 2x9s n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2x9s s ILE 79 N -0.22 0.94 -0.11 12.58 -1.09 -0.92 -4.90 121.20 127.47 2x9s s ILE 79 Ca 0.00 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 57.65 2x9s s ILE 79 Cb 0.00 -0.80 -0.06 0.00 -1.58 0.00 0.00 42.46 40.02 2x9s s ILE 79 CO 0.00 0.27 2.00 -2.16 -1.23 0.00 0.00 174.94 173.82 2x9s s PRO 80 N -0.07 3.69 -0.04 2.79 0.04 -1.26 -2.56 135.00 137.59 2x9s s PRO 80 Ca 0.01 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2x9s s PRO 80 Cb -0.07 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 30.26 2x9s s PRO 80 CO 0.00 -1.46 -0.12 0.54 0.04 0.00 0.00 177.00 176.00 2x9s s VAL 81 N 6.08 1.04 -0.44 -0.36 0.11 -1.21 -4.93 120.40 120.70 2x9s s VAL 81 Ca 0.90 -0.47 -0.28 0.00 -2.93 0.00 0.00 61.98 59.19 2x9s s VAL 81 Cb -0.36 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 2x9s s VAL 81 CO 0.37 0.32 1.46 -0.60 -3.33 0.00 0.00 175.10 173.32 2x9s s ARG 82 N 0.35 3.46 0.00 1.54 3.52 -1.25 -4.13 118.95 122.44 2x9s s ARG 82 Ca -0.07 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 2x9s s ARG 82 Cb -0.12 -4.07 0.00 0.00 -1.56 0.00 0.00 34.95 29.20 2x9s s ARG 82 CO 0.02 -1.71 0.00 0.00 -0.81 0.00 0.00 175.30 172.80 2x9s n ALA 83 N 9.24 0.00 -2.65 6.12 0.00 -1.26 -2.01 120.51 129.95 2x9s n ALA 83 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2x9s n ALA 83 Cb 0.48 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.03 2x9s n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9s n GLY 84 N 2.32 1.11 0.00 0.00 0.00 -1.13 -4.72 105.19 102.76 2x9s n GLY 84 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2x9s n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2x9s n GLU 85 N -0.94 0.00 -0.58 1.61 2.13 -1.26 -4.36 120.64 117.24 2x9s n GLU 85 Ca -0.12 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.76 2x9s n GLU 85 Cb 0.79 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.80 2x9s n GLU 85 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2x9s n THR 86 N 0.00 1.74 -3.30 6.31 -1.04 -1.26 -4.80 114.28 111.93 2x9s n THR 86 Ca 0.00 -0.98 -0.06 0.00 -2.04 0.00 0.00 64.05 60.97 2x9s n THR 86 Cb 0.00 -0.14 -0.06 0.00 -1.82 0.00 0.00 70.33 68.30 2x9s n THR 86 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2x9s s LYS 87 N -2.05 0.40 0.59 -2.82 2.47 -1.26 -4.39 119.74 112.68 2x9s s LYS 87 Ca 0.40 0.58 -0.18 0.00 -1.56 0.00 0.00 55.97 55.21 2x9s s LYS 87 Cb 0.28 -0.26 -0.03 0.00 -1.46 0.00 0.00 37.83 36.36 2x9s s LYS 87 CO 0.16 -0.69 1.16 0.42 0.16 0.00 0.00 175.35 176.56 2x9s s ILE 88 N 2.61 2.93 -0.47 5.43 1.01 -1.05 -2.86 121.20 128.80 2x9s s ILE 88 Ca 0.14 0.54 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 2x9s s ILE 88 Cb -0.15 -3.17 0.31 0.00 0.01 0.00 0.00 42.46 39.46 2x9s s ILE 88 CO -0.18 -0.16 2.03 -1.22 0.00 0.00 0.00 174.94 175.41 2x9s n TYR 89 N -1.67 2.26 -2.14 3.97 4.02 -0.85 -4.87 117.16 117.88 2x9s n TYR 89 Ca 0.12 -2.42 0.00 0.00 -0.01 0.00 0.00 57.90 55.59 2x9s n TYR 89 Cb 0.51 -1.17 0.00 0.00 -0.02 0.00 0.00 39.34 38.66 2x9s n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x9s n GLY 90 N -0.19 -2.03 3.31 2.72 0.00 -1.26 -4.99 105.19 102.75 2x9s n GLY 90 Ca 0.44 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 2x9s n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x9s s SER 91 N -2.18 1.20 -0.20 1.61 1.04 -1.26 -4.08 113.70 109.84 2x9s s SER 91 Ca 0.00 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 54.95 2x9s s SER 91 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.48 2x9s s SER 91 CO 0.00 -0.83 -0.06 0.54 0.98 0.00 0.00 173.24 173.87 2x9s s VAL 92 N -3.74 1.32 0.65 5.02 0.11 -1.26 -4.78 120.40 117.72 2x9s s VAL 92 Ca 0.37 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 2x9s s VAL 92 Cb 0.06 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 2x9s s VAL 92 CO 0.16 0.05 1.05 0.28 -3.33 0.00 0.00 175.10 173.30 2x9s s THR 93 N 1.52 4.10 0.34 5.04 -1.32 -1.26 -3.33 115.64 120.73 2x9s s THR 93 Ca -0.02 0.63 0.08 0.00 -1.21 0.00 0.00 61.69 61.18 2x9s s THR 93 Cb -0.17 -3.67 0.32 0.00 -1.51 0.00 0.00 72.50 67.47 2x9s s THR 93 CO -0.07 -0.87 1.83 0.00 -2.21 0.00 0.00 174.62 173.30 2x9s h ALA 94 N -0.45 1.79 -0.16 11.08 0.00 -1.95 1.51 119.26 131.08 2x9s h ALA 94 Ca -0.45 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2x9s h ALA 94 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2x9s h ALA 94 CO 0.63 -0.08 -0.17 0.87 0.00 0.00 0.00 179.25 180.49 2x9s h LYS 95 N 0.72 0.27 -0.18 0.00 1.57 -1.91 -0.96 116.57 116.08 2x9s h LYS 95 Ca 0.50 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 59.06 2x9s h LYS 95 Cb 0.81 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2x9s h LYS 95 CO -0.26 0.44 -0.52 0.22 -0.57 0.00 0.00 179.45 178.76 2x9s h ASP 96 N 0.25 0.57 0.00 0.86 1.82 0.15 -2.54 116.42 117.53 2x9s h ASP 96 Ca 0.05 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 2x9s h ASP 96 Cb 0.46 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2x9s h ASP 96 CO 0.03 0.99 0.00 -0.38 -1.61 0.00 0.00 179.24 178.26 2x9s n ILE 97 N -3.97 0.00 -0.27 2.25 5.41 0.18 -3.37 119.36 119.59 2x9s n ILE 97 Ca -0.03 0.93 0.27 0.00 1.00 0.00 0.00 62.75 64.91 2x9s n ILE 97 Cb 0.58 -1.84 0.63 0.00 -0.71 0.00 0.00 39.64 38.30 2x9s n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2x9s h ALA 98 N -2.00 2.61 -0.64 -1.39 0.00 -1.60 -1.83 119.26 114.42 2x9s h ALA 98 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2x9s h ALA 98 Cb 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 2x9s h ALA 98 CO 0.00 -0.94 -0.22 -1.91 0.00 0.00 0.00 179.25 176.18 2x9s n GLU 99 N -4.40 -0.12 -0.01 0.00 2.13 -0.96 0.50 120.64 117.79 2x9s n GLU 99 Ca 0.22 0.99 0.11 0.00 0.66 0.00 0.00 57.16 59.14 2x9s n GLU 99 Cb 0.96 -1.46 -0.16 0.00 0.27 0.00 0.00 31.44 31.04 2x9s n GLU 99 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2x9s n ALA 100 N -3.70 3.17 0.29 4.31 0.00 -0.74 -4.17 120.51 119.67 2x9s n ALA 100 Ca 0.08 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.11 2x9s n ALA 100 Cb 0.28 -0.76 0.84 0.00 0.00 0.00 0.00 19.45 19.80 2x9s n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2x9s h LEU 101 N 0.00 0.00 -3.65 0.00 5.85 0.63 0.19 115.31 118.33 2x9s h LEU 101 Ca 0.00 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 58.31 2x9s h LEU 101 Cb 0.91 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.76 2x9s h LEU 101 CO 0.00 0.00 0.52 -1.20 -0.34 0.00 0.00 178.44 177.43 2x9s n SER 102 N -4.05 6.76 0.00 1.25 7.64 0.07 -3.14 113.62 122.15 2x9s n SER 102 Ca -0.03 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 56.61 2x9s n SER 102 Cb 0.09 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2x9s n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2x9s n ARG 103 N 0.09 0.00 0.03 1.43 1.74 -0.34 -4.73 116.66 114.88 2x9s n ARG 103 Ca 0.38 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.38 2x9s n ARG 103 Cb 0.59 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.90 2x9s n ARG 103 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 2x9s h GLN 104 N 0.00 0.02 0.00 5.56 4.15 -1.09 -3.44 115.11 120.31 2x9s h GLN 104 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2x9s h GLN 104 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2x9s h GLN 104 CO 0.00 0.84 0.00 0.72 -1.93 0.00 0.00 178.83 178.46 2x9s n HIS 105 N -3.26 -1.18 0.00 3.99 8.25 -1.20 -5.06 115.22 116.76 2x9s n HIS 105 Ca -0.07 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2x9s n HIS 105 Cb 0.99 0.29 0.00 0.00 1.12 0.00 0.00 29.99 32.38 2x9s n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2x9s n GLY 106 N 2.53 1.20 3.84 -1.41 0.00 -1.19 -5.05 105.19 105.11 2x9s n GLY 106 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2x9s n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 107 N -1.20 5.23 -0.21 1.61 1.01 -1.22 -4.98 120.40 120.63 2x9s s VAL 107 Ca 0.00 0.58 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 2x9s s VAL 107 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2x9s s VAL 107 CO 0.00 0.57 0.08 -0.89 0.00 0.00 0.00 175.10 174.86 2x9s s THR 108 N -0.87 4.74 0.07 3.92 2.01 -1.26 -3.84 115.64 120.40 2x9s s THR 108 Ca 0.20 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.20 2x9s s THR 108 Cb -0.15 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2x9s s THR 108 CO 0.09 0.40 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.67 2x9s s ILE 109 N 0.86 0.92 -0.36 1.82 1.09 -1.26 -5.12 121.20 119.15 2x9s s ILE 109 Ca 0.04 -1.28 -0.12 0.00 -1.10 0.00 0.00 60.65 58.19 2x9s s ILE 109 Cb -0.14 -0.97 0.00 0.00 -1.06 0.00 0.00 42.46 40.30 2x9s s ILE 109 CO 0.03 -0.31 0.23 -0.62 -0.10 0.00 0.00 174.94 174.16 2x9s s ASP 110 N -1.78 5.90 0.13 3.58 -1.08 -1.26 -4.97 116.67 117.19 2x9s s ASP 110 Ca -0.03 -0.65 -0.28 0.00 -0.52 0.00 0.00 52.55 51.06 2x9s s ASP 110 Cb -0.09 -2.09 -0.04 0.00 -1.46 0.00 0.00 42.92 39.23 2x9s s ASP 110 CO 0.01 -0.30 1.59 1.55 0.52 0.00 0.00 175.17 178.54 2x9s h PRO 111 N 8.48 -0.45 0.00 4.34 0.13 -1.98 0.50 132.00 143.03 2x9s h PRO 111 Ca -0.29 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2x9s h PRO 111 Cb 1.14 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2x9s h PRO 111 CO 0.66 -0.30 0.21 1.63 -0.23 0.00 0.00 178.00 179.97 2x9s n LYS 112 N -5.43 0.03 -0.18 0.86 5.02 -1.26 0.54 118.16 117.73 2x9s n LYS 112 Ca -0.04 0.39 0.08 0.00 -2.02 0.00 0.00 58.31 56.73 2x9s n LYS 112 Cb 0.35 -1.80 0.18 0.00 -0.02 0.00 0.00 35.03 33.74 2x9s n LYS 112 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2x9s n ARG 113 N -1.54 2.33 0.00 1.97 1.74 0.16 -4.97 116.66 116.36 2x9s n ARG 113 Ca -0.00 -2.07 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 2x9s n ARG 113 Cb 0.22 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2x9s n ARG 113 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2x9s n LEU 114 N 1.02 0.00 0.00 0.55 4.77 0.19 -3.49 117.00 120.04 2x9s n LEU 114 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2x9s n LEU 114 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2x9s n LEU 114 CO 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.18 2x9s n ALA 115 N -3.00 0.00 -2.03 -1.18 0.00 -1.24 -4.63 120.51 108.43 2x9s n ALA 115 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2x9s n ALA 115 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2x9s n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2x9s s LEU 116 N 0.00 3.74 0.00 0.00 2.96 -1.26 -5.00 118.68 119.11 2x9s s LEU 116 Ca 0.00 1.32 0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2x9s s LEU 116 Cb 0.00 -4.23 0.00 0.00 0.50 0.00 0.00 46.19 42.46 2x9s s LEU 116 CO 0.00 -0.48 0.00 -0.62 -1.32 0.00 0.00 176.35 173.93 2x9s n GLU 117 N -1.43 0.00 -1.19 1.98 1.02 -1.26 -4.97 120.64 114.78 2x9s n GLU 117 Ca 0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 2x9s n GLU 117 Cb 0.54 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.07 2x9s n GLU 117 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x9s n LYS 118 N 0.00 0.28 -2.38 3.49 5.02 -1.26 -4.88 118.16 118.43 2x9s n LYS 118 Ca 0.00 0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 2x9s n LYS 118 Cb 0.00 -2.27 -0.02 0.00 -0.02 0.00 0.00 35.03 32.72 2x9s n LYS 118 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2x9s s PRO 119 N -3.67 3.37 0.00 1.97 0.04 -1.26 -4.93 135.00 130.52 2x9s s PRO 119 Ca 0.71 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2x9s s PRO 119 Cb -0.31 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2x9s s PRO 119 CO 0.52 -1.84 0.00 -0.89 0.04 0.00 0.00 177.00 174.83 2x9s n ILE 120 N 6.92 0.00 0.00 0.56 5.41 -1.21 -4.48 119.36 126.56 2x9s n ILE 120 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2x9s n ILE 120 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.42 2x9s n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2x9s n LYS 121 N 0.00 0.00 0.00 0.38 3.00 -1.26 -4.70 118.16 115.59 2x9s n LYS 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2x9s n LYS 121 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2x9s n LYS 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2x9s n GLU 122 N 0.00 2.22 0.00 1.64 0.00 -1.26 -2.54 120.64 120.70 2x9s n GLU 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2x9s n GLU 122 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2x9s n GLU 122 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2x9s n LEU 123 N 0.00 0.00 0.00 4.31 0.00 -1.26 -4.29 117.00 115.76 2x9s n LEU 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2x9s n LEU 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2x9s n LEU 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 2x9s n GLY 124 N 0.00 1.28 3.63 -3.96 0.00 -1.26 -4.57 105.19 100.31 2x9s n GLY 124 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 46.02 46.29 2x9s n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x9s s GLU 125 N 0.00 0.23 0.31 1.61 0.41 -1.26 -4.88 118.70 115.12 2x9s s GLU 125 Ca 0.00 0.15 0.09 0.00 -0.41 0.00 0.00 54.97 54.80 2x9s s GLU 125 Cb 0.00 0.11 -0.05 0.00 -1.78 0.00 0.00 34.13 32.41 2x9s s GLU 125 CO 0.00 -0.05 0.00 0.71 -0.49 0.00 0.00 175.26 175.43 2x9s s TYR 126 N -0.51 2.58 0.00 1.61 1.51 -1.23 -5.03 117.35 116.27 2x9s s TYR 126 Ca 0.05 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 2x9s s TYR 126 Cb -0.03 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 2x9s s TYR 126 CO -0.08 0.53 0.00 0.28 -1.11 0.00 0.00 175.55 175.16 2x9s n VAL 127 N -0.93 0.00 -3.66 0.71 0.31 -1.26 -3.79 118.33 109.71 2x9s n VAL 127 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.14 2x9s n VAL 127 Cb 0.61 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.46 2x9s n VAL 127 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2x9s s LEU 128 N 0.00 -0.08 0.76 7.52 1.98 -1.05 -4.95 118.68 122.85 2x9s s LEU 128 Ca 0.00 0.83 -0.17 0.00 -2.89 0.00 0.00 54.13 51.89 2x9s s LEU 128 Cb 0.00 1.96 -0.15 0.00 0.66 0.00 0.00 46.19 48.66 2x9s s LEU 128 CO 0.00 -0.35 -0.44 0.41 -1.89 0.00 0.00 176.35 174.08 2x9s n THR 129 N 2.02 0.04 0.00 3.68 -1.04 -1.26 -3.18 114.28 114.55 2x9s n THR 129 Ca -0.16 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 2x9s n THR 129 Cb 0.56 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 2x9s n THR 129 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2x9s n TYR 130 N -2.03 0.00 0.00 -1.42 9.36 -0.84 -3.59 117.16 118.64 2x9s n TYR 130 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 2x9s n TYR 130 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 2x9s n TYR 130 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2x9s n LYS 131 N 0.00 0.00 -2.91 2.98 5.02 -1.23 -3.98 118.16 118.04 2x9s n LYS 131 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 2x9s n LYS 131 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2x9s n LYS 131 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2x9s n PRO 132 N -1.75 1.24 0.00 1.97 -0.04 -1.26 -4.86 135.00 130.30 2x9s n PRO 132 Ca 0.00 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 2x9s n PRO 132 Cb 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 2x9s n PRO 132 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2x9s n HIS 133 N -0.88 0.00 -1.39 0.54 1.44 -1.26 -3.24 115.22 110.42 2x9s n HIS 133 Ca -0.05 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.55 2x9s n HIS 133 Cb 0.30 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.32 2x9s n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2x9s n PRO 134 N 12.47 0.14 0.00 -1.40 -0.02 -1.26 -4.82 135.00 140.11 2x9s n PRO 134 Ca 0.00 -0.74 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 2x9s n PRO 134 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 2x9s n PRO 134 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2x9s n GLU 135 N 6.73 -0.05 -3.37 -0.52 1.02 -1.20 -5.01 120.64 118.24 2x9s n GLU 135 Ca 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.38 2x9s n GLU 135 Cb 0.41 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.75 2x9s n GLU 135 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2x9s s VAL 136 N -0.80 -0.55 -0.13 2.62 0.11 -1.26 -4.99 120.40 115.38 2x9s s VAL 136 Ca 0.00 -0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2x9s s VAL 136 Cb 0.00 -0.81 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2x9s s VAL 136 CO 0.00 -0.16 1.33 -2.16 -3.33 0.00 0.00 175.10 170.78 2x9s s PRO 137 N 2.50 4.23 0.63 1.54 0.04 -1.26 -1.98 135.00 140.70 2x9s s PRO 137 Ca 0.11 1.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 2x9s s PRO 137 Cb -0.15 -3.78 0.05 0.00 0.04 0.00 0.00 34.50 30.65 2x9s s PRO 137 CO -0.17 -0.71 0.90 -1.50 0.04 0.00 0.00 177.00 175.56 2x9s s ILE 138 N 3.47 2.48 -0.16 0.56 2.07 -1.19 -4.66 121.20 123.77 2x9s s ILE 138 Ca 0.58 -0.45 -0.00 0.00 -1.41 0.00 0.00 60.65 59.37 2x9s s ILE 138 Cb -0.24 -3.01 0.04 0.00 0.13 0.00 0.00 42.46 39.38 2x9s s ILE 138 CO 0.18 -0.01 -0.07 -1.58 -1.91 0.00 0.00 174.94 171.55 2x9s s GLN 139 N -5.02 1.59 -0.03 3.50 0.74 -1.26 -2.53 119.66 116.65 2x9s s GLN 139 Ca 0.59 -0.51 0.04 0.00 0.05 0.00 0.00 55.36 55.53 2x9s s GLN 139 Cb -0.11 -1.98 -0.01 0.00 1.10 0.00 0.00 33.01 32.02 2x9s s GLN 139 CO 0.42 -0.38 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.44 2x9s s LEU 140 N 1.61 1.94 -0.17 3.68 0.20 -1.25 -1.37 118.68 123.32 2x9s s LEU 140 Ca 0.02 -0.32 -0.03 0.00 0.69 0.00 0.00 54.13 54.49 2x9s s LEU 140 Cb -0.15 -0.89 -0.02 0.00 -0.43 0.00 0.00 46.19 44.71 2x9s s LEU 140 CO -0.08 0.16 -0.05 -0.54 -0.29 0.00 0.00 176.35 175.55 2x9s s LYS 141 N -0.08 3.55 -0.20 1.98 1.02 -1.26 -3.56 119.74 121.18 2x9s s LYS 141 Ca -0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.12 2x9s s LYS 141 Cb -0.10 -2.90 -0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2x9s s LYS 141 CO 0.01 0.11 1.19 0.08 -0.92 0.00 0.00 175.35 175.82 2x9s s VAL 142 N 0.68 4.40 0.00 3.17 1.01 -1.26 -2.17 120.40 126.24 2x9s s VAL 142 Ca -0.03 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2x9s s VAL 142 Cb -0.15 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2x9s s VAL 142 CO 0.02 -0.19 0.00 -1.54 0.00 0.00 0.00 175.10 173.39 2x9s n SER 143 N 6.62 0.00 -0.94 3.32 3.41 -1.06 -4.93 113.62 120.05 2x9s n SER 143 Ca 0.13 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 2x9s n SER 143 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2x9s n SER 143 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2x9s n VAL 144 N -0.77 0.00 0.00 -3.33 0.31 -1.26 -4.65 118.33 108.63 2x9s n VAL 144 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2x9s n VAL 144 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2x9s n VAL 144 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2x9s n VAL 145 N 0.00 0.00 0.00 2.52 0.31 -1.26 -3.71 118.33 116.20 2x9s n VAL 145 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2x9s n VAL 145 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2x9s n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51