#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t n GLN 3 N 0.00 0.50 -3.62 5.31 6.02 -1.26 -4.76 117.38 119.57 2x9t n GLN 3 Ca 0.00 -2.08 -0.09 0.00 -0.01 0.00 0.00 57.00 54.82 2x9t n GLN 3 Cb 0.00 1.97 -0.09 0.00 1.02 0.00 0.00 30.24 33.14 2x9t n GLN 3 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2x9t s TYR 4 N -3.44 -0.79 0.00 1.08 1.51 -1.11 -4.84 117.35 109.76 2x9t s TYR 4 Ca 0.22 1.41 0.07 0.00 -1.01 0.00 0.00 57.07 57.76 2x9t s TYR 4 Cb -0.01 0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 42.07 2x9t s TYR 4 CO 0.16 -0.51 -0.21 -0.47 -1.11 0.00 0.00 175.55 173.41 2x9t s TYR 5 N 2.60 2.47 -0.10 2.71 6.14 -1.25 -1.33 117.35 128.59 2x9t s TYR 5 Ca 0.00 -0.32 -0.12 0.00 0.64 0.00 0.00 57.07 57.27 2x9t s TYR 5 Cb -0.12 -1.50 0.03 0.00 0.42 0.00 0.00 41.96 40.79 2x9t s TYR 5 CO -0.13 0.12 0.33 0.20 0.64 0.00 0.00 175.55 176.71 2x9t s GLY 6 N -0.99 -0.23 -0.00 8.97 0.00 -1.05 -3.91 107.32 110.11 2x9t s GLY 6 Ca 0.12 0.80 -0.19 0.00 0.00 0.00 0.00 44.72 45.45 2x9t s GLY 6 CO 0.02 0.65 0.53 -1.59 0.00 0.00 0.00 173.10 172.71 2x9t s THR 7 N -0.17 4.94 -0.22 0.90 2.01 -1.26 -2.14 115.64 119.70 2x9t s THR 7 Ca -0.03 1.11 -0.00 0.00 0.31 0.00 0.00 61.69 63.08 2x9t s THR 7 Cb -0.03 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 68.67 2x9t s THR 7 CO 0.01 0.47 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.54 2x9t s GLY 8 N -0.44 1.14 0.01 4.40 0.00 -0.66 -2.82 107.32 108.96 2x9t s GLY 8 Ca 0.28 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.85 2x9t s GLY 8 CO 0.16 1.00 -0.04 0.50 0.00 0.00 0.00 173.10 174.72 2x9t s ARG 9 N 1.51 0.32 0.00 2.90 0.52 -1.26 0.11 118.95 123.05 2x9t s ARG 9 Ca -0.04 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2x9t s ARG 9 Cb -0.18 -0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.12 2x9t s ARG 9 CO -0.07 0.04 0.00 0.54 0.02 0.00 0.00 175.30 175.83 2x9t n ARG 10 N 2.35 0.00 -2.84 3.54 5.12 0.44 -4.75 116.66 120.52 2x9t n ARG 10 Ca -0.17 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.71 2x9t n ARG 10 Cb 0.57 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.88 2x9t n ARG 10 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2x9t n LYS 11 N 0.00 -1.76 -0.71 5.56 4.81 -1.26 -3.17 118.16 121.63 2x9t n LYS 11 Ca 0.00 1.74 -0.01 0.00 -0.87 0.00 0.00 58.31 59.17 2x9t n LYS 11 Cb 0.00 -5.41 -0.01 0.00 0.02 0.00 0.00 35.03 29.64 2x9t n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2x9t n GLU 12 N -0.95 -1.94 -4.71 1.64 -0.58 -1.26 -4.56 120.64 108.28 2x9t n GLU 12 Ca 0.06 0.36 -0.32 0.00 -0.42 0.00 0.00 57.16 56.85 2x9t n GLU 12 Cb 0.46 -4.19 -0.17 0.00 -0.57 0.00 0.00 31.44 26.97 2x9t n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2x9t s ALA 13 N -0.78 2.12 0.13 0.62 0.00 -1.19 0.18 121.76 122.84 2x9t s ALA 13 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2x9t s ALA 13 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2x9t s ALA 13 CO 0.00 0.01 -0.15 0.08 0.00 0.00 0.00 175.76 175.70 2x9t s VAL 14 N 0.78 1.40 -0.01 0.00 1.01 -1.15 -0.42 120.40 122.01 2x9t s VAL 14 Ca -0.09 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.07 2x9t s VAL 14 Cb -0.16 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2x9t s VAL 14 CO -0.00 -0.39 0.19 0.00 0.00 0.00 0.00 175.10 174.90 2x9t s ALA 15 N -2.08 -0.47 -0.24 5.51 0.00 0.30 0.20 121.76 124.98 2x9t s ALA 15 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 2x9t s ALA 15 Cb -0.05 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 2x9t s ALA 15 CO 0.03 -0.22 0.02 0.50 0.00 0.00 0.00 175.76 176.10 2x9t s ARG 16 N -1.26 3.49 -0.21 0.00 3.52 0.18 -1.65 118.95 123.02 2x9t s ARG 16 Ca -0.13 -0.57 -0.15 0.00 -0.13 0.00 0.00 55.73 54.75 2x9t s ARG 16 Cb -0.07 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2x9t s ARG 16 CO 0.02 -0.21 0.35 0.08 -0.81 0.00 0.00 175.30 174.73 2x9t s VAL 17 N 1.55 5.23 -0.04 7.11 1.01 -0.91 -1.48 120.40 132.86 2x9t s VAL 17 Ca 0.06 0.59 -0.00 0.00 0.00 0.00 0.00 61.98 62.62 2x9t s VAL 17 Cb -0.15 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2x9t s VAL 17 CO 0.00 0.26 0.00 -0.36 0.00 0.00 0.00 175.10 175.01 2x9t s PHE 18 N 1.31 0.42 0.33 5.22 2.99 -0.73 -2.52 117.98 125.00 2x9t s PHE 18 Ca 0.16 -0.03 0.09 0.00 0.00 0.00 0.00 56.93 57.15 2x9t s PHE 18 Cb -0.15 -0.56 -0.06 0.00 0.00 0.00 0.00 43.02 42.25 2x9t s PHE 18 CO 0.07 -0.20 -0.09 -0.51 -0.00 0.00 0.00 175.22 174.49 2x9t s LEU 19 N 1.44 2.68 -0.29 -0.37 1.43 -0.44 -0.43 118.68 122.70 2x9t s LEU 19 Ca -0.04 -1.19 -0.13 0.00 -1.03 0.00 0.00 54.13 51.74 2x9t s LEU 19 Cb -0.13 -0.93 0.12 0.00 0.03 0.00 0.00 46.19 45.29 2x9t s LEU 19 CO -0.03 -0.22 0.75 -0.13 0.23 0.00 0.00 176.35 176.95 2x9t s ARG 20 N -3.63 0.54 -0.51 1.70 0.52 -1.21 -2.76 118.95 113.61 2x9t s ARG 20 Ca 0.32 1.20 -0.35 0.00 -0.52 0.00 0.00 55.73 56.38 2x9t s ARG 20 Cb 0.02 0.54 -0.14 0.00 0.52 0.00 0.00 34.95 35.89 2x9t s ARG 20 CO 0.16 -0.16 2.30 -2.30 0.02 0.00 0.00 175.30 175.32 2x9t n PRO 21 N 4.91 0.67 0.00 3.54 -0.02 -1.26 0.18 135.00 143.02 2x9t n PRO 21 Ca -0.14 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2x9t n PRO 21 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2x9t n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9t n GLY 22 N 6.66 4.48 0.00 -1.23 0.00 -0.54 -4.75 105.19 109.80 2x9t n GLY 22 Ca 0.48 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 45.52 2x9t n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x9t n ASN 23 N 0.00 0.00 -0.52 1.61 0.23 -1.26 -4.07 115.26 111.25 2x9t n ASN 23 Ca 0.00 0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 2x9t n ASN 23 Cb 0.00 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.38 2x9t n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2x9t n GLY 24 N 0.32 0.62 3.63 4.83 0.00 -0.27 -4.83 105.19 109.48 2x9t n GLY 24 Ca 0.08 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2x9t n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2x9t s LYS 25 N -2.37 2.24 -0.08 1.61 -2.85 -1.26 -4.85 119.74 112.18 2x9t s LYS 25 Ca 0.00 -1.44 -0.03 0.00 -1.00 0.00 0.00 55.97 53.50 2x9t s LYS 25 Cb 0.00 -2.13 0.04 0.00 -2.06 0.00 0.00 37.83 33.68 2x9t s LYS 25 CO 0.00 0.36 0.17 0.08 0.10 0.00 0.00 175.35 176.06 2x9t s VAL 26 N -2.33 -0.13 0.02 1.79 1.01 -1.26 -0.59 120.40 118.92 2x9t s VAL 26 Ca 0.31 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.60 2x9t s VAL 26 Cb -0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.01 2x9t s VAL 26 CO 0.19 0.10 -0.24 -0.89 0.00 0.00 0.00 175.10 174.26 2x9t s THR 27 N 1.57 1.93 -0.05 3.92 2.01 -0.94 -1.70 115.64 122.39 2x9t s THR 27 Ca -0.05 -1.22 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 2x9t s THR 27 Cb -0.12 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.78 2x9t s THR 27 CO -0.06 0.38 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.55 2x9t s VAL 28 N -0.72 0.28 -1.44 3.82 1.01 0.29 0.49 120.40 124.14 2x9t s VAL 28 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 2x9t s VAL 28 Cb -0.09 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 35.93 2x9t s VAL 28 CO 0.01 0.20 0.92 0.59 0.00 0.00 0.00 175.10 176.82 2x9t n ASN 29 N 4.59 -3.80 -2.07 3.32 3.02 -0.55 -1.05 115.26 118.73 2x9t n ASN 29 Ca -0.17 -0.76 -0.17 0.00 -0.03 0.00 0.00 54.58 53.45 2x9t n ASN 29 Cb 0.50 -4.09 0.01 0.00 -0.61 0.00 0.00 39.78 35.59 2x9t n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x9t n GLY 30 N -1.68 -0.28 3.12 7.41 0.00 -1.26 -5.00 105.19 107.50 2x9t n GLY 30 Ca -0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 2x9t n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2x9t s GLN 31 N -5.06 0.53 0.31 1.61 0.74 -0.22 -5.15 119.66 112.43 2x9t s GLN 31 Ca 0.09 -0.50 -0.28 0.00 0.05 0.00 0.00 55.36 54.72 2x9t s GLN 31 Cb -0.04 0.22 -0.09 0.00 1.10 0.00 0.00 33.01 34.19 2x9t s GLN 31 CO 0.12 -0.13 1.08 0.34 -0.55 0.00 0.00 175.29 176.15 2x9t s ASP 32 N -1.63 7.14 0.01 6.67 -1.08 -1.26 0.11 116.67 126.63 2x9t s ASP 32 Ca -0.12 2.21 -0.05 0.00 -0.52 0.00 0.00 52.55 54.07 2x9t s ASP 32 Cb -0.06 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.77 2x9t s ASP 32 CO -0.00 -0.23 1.08 0.15 0.52 0.00 0.00 175.17 176.68 2x9t h PHE 33 N 3.48 -0.21 0.00 -5.34 3.57 -1.68 0.55 116.94 117.31 2x9t h PHE 33 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2x9t h PHE 33 Cb 1.21 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2x9t h PHE 33 CO 0.58 -0.09 0.09 0.09 -2.23 0.00 0.00 178.31 176.76 2x9t n ASN 34 N -2.81 0.00 -0.10 0.41 4.13 -1.26 -1.96 115.26 113.67 2x9t n ASN 34 Ca -0.01 0.21 -0.19 0.00 1.68 0.00 0.00 54.58 56.26 2x9t n ASN 34 Cb 0.06 -0.21 -0.06 0.00 -1.54 0.00 0.00 39.78 38.03 2x9t n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2x9t n GLU 35 N -1.14 0.44 0.25 3.52 2.13 -0.49 -4.07 120.64 121.28 2x9t n GLU 35 Ca 0.00 0.19 0.08 0.00 0.66 0.00 0.00 57.16 58.09 2x9t n GLU 35 Cb 0.09 -1.25 0.61 0.00 0.27 0.00 0.00 31.44 31.16 2x9t n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2x9t h TYR 36 N -0.77 0.00 -1.79 4.31 3.20 0.51 -2.58 116.97 119.85 2x9t h TYR 36 Ca -0.41 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.83 2x9t h TYR 36 Cb 1.30 0.00 -0.38 0.00 1.54 0.00 0.00 36.73 39.18 2x9t h TYR 36 CO -0.14 0.04 -0.26 1.19 -1.64 0.00 0.00 178.16 177.36 2x9t n PHE 37 N -4.47 3.41 -2.91 -3.82 3.01 -0.83 -5.05 117.46 106.79 2x9t n PHE 37 Ca -0.03 -3.08 -0.40 0.00 1.01 0.00 0.00 57.45 54.95 2x9t n PHE 37 Cb 0.13 -0.44 -0.05 0.00 -0.01 0.00 0.00 39.48 39.11 2x9t n PHE 37 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2x9t s GLN 38 N -3.68 4.60 0.00 -1.08 0.74 -0.97 -3.89 119.66 115.37 2x9t s GLN 38 Ca 0.48 1.21 0.00 0.00 0.05 0.00 0.00 55.36 57.11 2x9t s GLN 38 Cb 0.37 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 31.16 2x9t s GLN 38 CO -0.22 0.40 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 2x9t n GLY 39 N 1.99 3.13 3.16 2.59 0.00 -1.26 -4.95 105.19 109.84 2x9t n GLY 39 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2x9t n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2x9t n LEU 40 N 0.00 5.96 -1.58 0.99 4.77 -1.25 -4.86 117.00 121.03 2x9t n LEU 40 Ca 0.00 -4.62 0.00 0.00 -0.03 0.00 0.00 56.01 51.36 2x9t n LEU 40 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 2x9t n LEU 40 CO 0.00 1.12 0.04 0.52 -1.33 0.00 0.00 177.39 177.73 2x9t n VAL 41 N 3.72 0.07 -0.00 4.08 0.31 -1.26 0.11 118.33 125.35 2x9t n VAL 41 Ca 0.37 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.68 2x9t n VAL 41 Cb 0.39 -0.82 -0.00 0.00 -0.91 0.00 0.00 33.84 32.50 2x9t n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2x9t n ARG 42 N 1.57 0.02 -0.32 5.55 0.63 -1.26 -4.76 116.66 118.09 2x9t n ARG 42 Ca 0.00 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2x9t n ARG 42 Cb 0.02 -0.88 0.26 0.00 0.45 0.00 0.00 32.46 32.31 2x9t n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9t n ALA 43 N -2.66 0.44 0.07 5.13 0.00 0.12 -1.18 120.51 122.43 2x9t n ALA 43 Ca -0.01 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.41 2x9t n ALA 43 Cb 0.51 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2x9t n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2x9t n VAL 44 N -5.35 0.29 -0.08 0.00 0.24 -1.26 -2.20 118.33 109.97 2x9t n VAL 44 Ca 0.21 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 2x9t n VAL 44 Cb 0.68 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 2x9t n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x9t n ALA 45 N 1.33 2.04 0.56 2.33 0.00 -0.33 -4.51 120.51 121.94 2x9t n ALA 45 Ca 0.00 -0.79 0.12 0.00 0.00 0.00 0.00 53.44 52.76 2x9t n ALA 45 Cb 0.10 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.63 2x9t n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9t n ALA 46 N -0.31 3.18 0.15 0.00 0.00 -0.93 -3.70 120.51 118.90 2x9t n ALA 46 Ca 0.00 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.19 2x9t n ALA 46 Cb 0.19 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.64 2x9t n ALA 46 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9t h LEU 47 N 0.00 0.00 -1.00 0.00 4.07 -1.82 -3.38 115.31 113.18 2x9t h LEU 47 Ca 0.00 0.00 0.29 0.00 0.08 0.00 0.00 57.88 58.25 2x9t h LEU 47 Cb 0.74 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.34 2x9t h LEU 47 CO 0.00 0.17 0.58 -0.33 -1.08 0.00 0.00 178.44 177.78 2x9t h GLU 48 N 0.00 0.41 0.00 1.13 3.07 -1.83 0.29 114.58 117.65 2x9t h GLU 48 Ca -0.02 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2x9t h GLU 48 Cb 1.15 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2x9t h GLU 48 CO 0.02 0.27 0.00 -0.35 -1.40 0.00 0.00 179.01 177.55 2x9t n PRO 49 N -4.99 0.05 -0.09 2.33 -0.04 -1.26 -1.56 135.00 129.44 2x9t n PRO 49 Ca 0.30 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.98 2x9t n PRO 49 Cb 0.89 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.71 2x9t n PRO 49 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2x9t n LEU 50 N -1.36 0.00 0.00 1.53 4.77 0.10 -4.26 117.00 117.78 2x9t n LEU 50 Ca 0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.05 2x9t n LEU 50 Cb 0.05 0.43 0.30 0.00 -2.33 0.00 0.00 43.42 41.87 2x9t n LEU 50 CO 0.04 0.43 0.67 0.54 -1.33 0.00 0.00 177.39 177.75 2x9t n ARG 51 N -2.66 0.96 -1.91 3.23 1.74 -0.60 -2.68 116.66 114.74 2x9t n ARG 51 Ca -0.29 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.66 2x9t n ARG 51 Cb 1.07 -1.16 0.06 0.00 -1.02 0.00 0.00 32.46 31.41 2x9t n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2x9t n ALA 52 N -0.66 4.23 0.00 7.54 0.00 -1.19 -4.21 120.51 126.21 2x9t n ALA 52 Ca 0.08 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 50.06 2x9t n ALA 52 Cb 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2x9t n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2x9t n VAL 53 N -0.70 0.00 0.00 0.00 0.24 -1.22 -4.95 118.33 111.70 2x9t n VAL 53 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.61 2x9t n VAL 53 Cb 0.90 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2x9t n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2x9t n ASP 54 N -2.08 0.00 -4.54 -1.34 8.00 -1.09 -5.13 116.55 110.36 2x9t n ASP 54 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2x9t n ASP 54 Cb 0.28 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 2x9t n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x9t s ALA 55 N -1.67 2.99 -0.06 2.24 0.00 -1.12 -4.75 121.76 119.39 2x9t s ALA 55 Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.86 2x9t s ALA 55 Cb 0.00 -3.99 -0.10 0.00 0.00 0.00 0.00 23.12 19.03 2x9t s ALA 55 CO 0.00 -2.75 0.05 -0.11 0.00 0.00 0.00 175.76 172.96 2x9t n LEU 56 N 8.33 0.00 0.00 0.00 0.00 -1.26 -4.07 117.00 120.00 2x9t n LEU 56 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 2x9t n LEU 56 Cb 0.48 0.15 0.00 0.00 0.00 0.00 0.00 43.42 44.05 2x9t n LEU 56 CO 0.69 0.15 0.16 0.61 0.00 0.00 0.00 177.39 178.99 2x9t n GLY 57 N 2.45 -1.51 0.26 -3.96 0.00 -1.26 -4.85 105.19 96.32 2x9t n GLY 57 Ca -0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.09 2x9t n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x9t h ARG 58 N 0.00 0.00 -4.48 1.61 3.08 -1.87 -0.70 114.38 112.02 2x9t h ARG 58 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2x9t h ARG 58 Cb 0.91 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.66 2x9t h ARG 58 CO 0.00 0.00 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.07 2x9t s PHE 59 N -3.62 0.74 0.48 3.04 0.40 -1.26 -1.47 117.98 116.30 2x9t s PHE 59 Ca 0.02 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.10 2x9t s PHE 59 Cb 0.09 -0.52 0.11 0.00 0.51 0.00 0.00 43.02 43.21 2x9t s PHE 59 CO 0.53 -0.06 0.65 -0.25 0.70 0.00 0.00 175.22 176.80 2x9t n ASP 60 N 3.17 0.00 -3.23 1.36 10.43 0.48 -4.28 116.55 124.48 2x9t n ASP 60 Ca -0.16 -1.22 -0.02 0.00 2.57 0.00 0.00 54.79 55.96 2x9t n ASP 60 Cb 0.56 -0.50 -0.02 0.00 1.84 0.00 0.00 41.12 43.00 2x9t n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2x9t s ALA 61 N -3.96 -2.07 -0.24 2.24 0.00 0.24 -3.28 121.76 114.70 2x9t s ALA 61 Ca 0.37 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2x9t s ALA 61 Cb -0.01 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.51 2x9t s ALA 61 CO 0.26 -2.17 1.09 -0.47 0.00 0.00 0.00 175.76 174.47 2x9t s TYR 62 N 1.88 3.20 0.05 0.00 5.04 0.43 -2.21 117.35 125.75 2x9t s TYR 62 Ca 0.16 1.33 0.06 0.00 -2.44 0.00 0.00 57.07 56.17 2x9t s TYR 62 Cb -0.06 -3.41 -0.03 0.00 0.35 0.00 0.00 41.96 38.82 2x9t s TYR 62 CO -0.08 -0.77 -0.16 0.42 -1.34 0.00 0.00 175.55 173.62 2x9t s ILE 63 N 3.37 1.27 -0.43 3.14 1.01 0.18 -1.78 121.20 127.96 2x9t s ILE 63 Ca 0.46 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2x9t s ILE 63 Cb -0.16 -1.15 0.14 0.00 0.01 0.00 0.00 42.46 41.30 2x9t s ILE 63 CO 0.10 -0.02 0.24 -0.89 0.00 0.00 0.00 174.94 174.37 2x9t s THR 64 N -0.96 1.33 -0.11 2.92 2.01 -0.55 -1.48 115.64 118.79 2x9t s THR 64 Ca 0.02 -2.51 -0.14 0.00 0.31 0.00 0.00 61.69 59.38 2x9t s THR 64 Cb -0.09 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.44 2x9t s THR 64 CO 0.02 -0.90 0.33 0.54 -0.69 0.00 0.00 174.62 173.92 2x9t s VAL 65 N 0.39 5.24 -0.20 3.82 0.11 -1.26 0.52 120.40 129.01 2x9t s VAL 65 Ca 0.18 0.64 -0.08 0.00 -2.93 0.00 0.00 61.98 59.79 2x9t s VAL 65 Cb -0.24 -3.65 0.09 0.00 -1.53 0.00 0.00 36.38 31.04 2x9t s VAL 65 CO 0.00 0.46 0.45 -0.60 -3.33 0.00 0.00 175.10 172.08 2x9t s ARG 66 N -0.10 0.38 0.00 1.54 3.52 0.53 -4.86 118.95 119.96 2x9t s ARG 66 Ca 0.19 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.81 2x9t s ARG 66 Cb -0.14 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 2x9t s ARG 66 CO 0.07 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.75 2x9t n GLY 67 N 5.06 2.07 5.57 8.12 0.00 -1.26 -2.94 105.19 121.80 2x9t n GLY 67 Ca -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2x9t n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x9t n GLY 68 N 1.57 0.43 3.21 -0.02 0.00 0.47 -3.93 105.19 106.92 2x9t n GLY 68 Ca 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2x9t n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2x9t s GLY 69 N 0.00 0.95 0.57 -0.02 0.00 -1.26 -4.90 107.32 102.65 2x9t s GLY 69 Ca 0.00 -1.33 0.48 0.00 0.00 0.00 0.00 44.72 43.87 2x9t s GLY 69 CO 0.00 -1.41 1.54 1.70 0.00 0.00 0.00 173.10 174.93 2x9t h LYS 70 N 3.21 0.00 0.00 2.90 1.63 -2.01 0.14 116.57 122.44 2x9t h LYS 70 Ca -0.37 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.32 2x9t h LYS 70 Cb 1.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 2x9t h LYS 70 CO 0.58 0.00 -1.77 0.45 -3.45 0.00 0.00 179.45 175.25 2x9t n SER 71 N -3.85 1.71 0.26 4.20 2.88 -1.26 -3.81 113.62 113.75 2x9t n SER 71 Ca 0.42 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.10 2x9t n SER 71 Cb 1.98 1.29 0.72 0.00 -0.75 0.00 0.00 64.21 67.45 2x9t n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2x9t h GLY 72 N 2.63 0.00 0.26 0.46 0.00 -1.07 -2.22 103.07 103.13 2x9t h GLY 72 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2x9t h GLY 72 CO 0.01 0.00 -0.06 1.46 0.00 0.00 0.00 176.54 177.95 2x9t h GLN 73 N 0.00 -0.15 -0.53 4.80 4.20 -1.50 -2.85 115.11 119.08 2x9t h GLN 73 Ca -0.00 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.87 2x9t h GLN 73 Cb 0.39 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2x9t h GLN 73 CO 0.02 0.31 0.82 0.82 -0.67 0.00 0.00 178.83 180.13 2x9t h ILE 74 N -0.90 0.11 0.00 2.54 2.04 -1.51 0.31 117.51 120.10 2x9t h ILE 74 Ca -0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 2x9t h ILE 74 Cb 0.53 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2x9t h ILE 74 CO 0.03 0.00 -0.53 0.44 0.00 0.00 0.00 178.15 178.09 2x9t h ASP 75 N 0.00 0.00 -0.95 1.72 3.45 -1.45 -3.36 116.42 115.83 2x9t h ASP 75 Ca 0.25 -0.66 0.21 0.00 0.43 0.00 0.00 57.03 57.26 2x9t h ASP 75 Cb 1.89 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 40.58 2x9t h ASP 75 CO -0.00 1.14 0.62 0.00 -1.57 0.00 0.00 179.24 179.42 2x9t h ALA 76 N -0.34 2.09 0.00 3.45 0.00 -0.19 0.33 119.26 124.60 2x9t h ALA 76 Ca -0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2x9t h ALA 76 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2x9t h ALA 76 CO -0.08 -0.41 0.00 -0.89 0.00 0.00 0.00 179.25 177.87 2x9t n ILE 77 N -4.58 0.70 0.00 0.00 5.41 -0.63 -2.23 119.36 118.03 2x9t n ILE 77 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.96 2x9t n ILE 77 Cb 0.70 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 2x9t n ILE 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2x9t n LYS 78 N 0.38 3.14 -0.07 0.38 4.81 0.12 -4.41 118.16 122.51 2x9t n LYS 78 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 2x9t n LYS 78 Cb 0.42 -0.65 -0.12 0.00 0.02 0.00 0.00 35.03 34.70 2x9t n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2x9t n LEU 79 N -0.68 2.27 -0.08 3.14 -0.00 -0.95 -3.62 117.00 117.08 2x9t n LEU 79 Ca 0.00 0.28 -0.14 0.00 -0.00 0.00 0.00 56.01 56.15 2x9t n LEU 79 Cb 0.00 -1.00 -0.05 0.00 -0.00 0.00 0.00 43.42 42.37 2x9t n LEU 79 CO 0.00 0.59 0.54 1.23 -0.00 0.00 0.00 177.39 179.75 2x9t h GLY 80 N 0.07 0.69 1.84 -3.96 0.00 -1.35 0.23 103.07 100.58 2x9t h GLY 80 Ca -0.44 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.14 2x9t h GLY 80 CO -0.11 0.67 0.00 1.39 0.00 0.00 0.00 176.54 178.48 2x9t n ILE 81 N -4.29 1.28 0.26 2.60 2.08 -1.26 -0.60 119.36 119.43 2x9t n ILE 81 Ca -0.05 0.32 0.03 0.00 0.56 0.00 0.00 62.75 63.61 2x9t n ILE 81 Cb 0.48 -1.20 -0.01 0.00 -0.75 0.00 0.00 39.64 38.16 2x9t n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2x9t n ALA 82 N -1.42 2.64 -0.02 -1.39 0.00 -0.95 -4.42 120.51 114.95 2x9t n ALA 82 Ca 0.02 -0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.17 2x9t n ALA 82 Cb 0.07 -0.21 -0.13 0.00 0.00 0.00 0.00 19.45 19.19 2x9t n ALA 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2x9t n ARG 83 N -0.57 0.65 -0.02 0.00 0.63 0.23 -3.57 116.66 114.01 2x9t n ARG 83 Ca 0.02 0.01 -0.08 0.00 -0.92 0.00 0.00 57.85 56.88 2x9t n ARG 83 Cb 0.11 -1.63 0.09 0.00 0.45 0.00 0.00 32.46 31.49 2x9t n ARG 83 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9t h ALA 84 N 1.52 0.83 0.00 5.13 0.00 -1.27 -2.70 119.26 122.77 2x9t h ALA 84 Ca -0.21 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2x9t h ALA 84 Cb 1.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2x9t h ALA 84 CO 0.02 0.65 0.00 1.37 0.00 0.00 0.00 179.25 181.29 2x9t h LEU 85 N 0.50 0.00 0.00 0.00 8.10 -1.77 -1.68 115.31 120.46 2x9t h LEU 85 Ca 0.05 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.92 2x9t h LEU 85 Cb 0.90 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.10 2x9t h LEU 85 CO 0.08 0.00 -0.99 1.62 -4.11 0.00 0.00 178.44 175.04 2x9t h VAL 86 N 0.00 0.50 0.00 0.15 3.04 -1.57 -3.36 116.25 115.01 2x9t h VAL 86 Ca 0.00 -1.84 -0.02 0.00 -1.01 0.00 0.00 66.70 63.83 2x9t h VAL 86 Cb 0.83 2.06 -0.00 0.00 -2.01 0.00 0.00 31.29 32.17 2x9t h VAL 86 CO 0.00 0.28 -0.11 -0.61 -1.01 0.00 0.00 177.57 176.13 2x9t h GLN 87 N 0.00 0.00 -2.10 4.17 4.15 -1.41 -3.31 115.11 116.61 2x9t h GLN 87 Ca -0.08 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 2x9t h GLN 87 Cb 1.40 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 2x9t h GLN 87 CO 0.04 0.74 -0.06 0.66 -1.93 0.00 0.00 178.83 178.28 2x9t n TYR 88 N -4.64 0.00 0.00 3.99 4.02 -0.64 -4.14 117.16 115.76 2x9t n TYR 88 Ca -0.09 -0.88 0.00 0.00 -0.01 0.00 0.00 57.90 56.92 2x9t n TYR 88 Cb 0.38 -0.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.93 2x9t n TYR 88 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2x9t n ASN 89 N 2.02 0.00 0.24 7.72 2.85 -1.25 -4.95 115.26 121.88 2x9t n ASN 89 Ca 0.12 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.67 2x9t n ASN 89 Cb 0.49 0.00 0.58 0.00 1.24 0.00 0.00 39.78 42.09 2x9t n ASN 89 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2x9t h PRO 90 N 0.00 0.00 -0.49 1.20 0.13 -1.72 -1.34 132.00 129.78 2x9t h PRO 90 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2x9t h PRO 90 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2x9t h PRO 90 CO 0.00 0.14 0.00 -0.25 -0.23 0.00 0.00 178.00 177.66 2x9t n ASP 91 N -4.21 0.71 -1.75 1.44 8.00 -1.26 -3.02 116.55 116.45 2x9t n ASP 91 Ca -0.02 -2.02 0.03 0.00 0.71 0.00 0.00 54.79 53.48 2x9t n ASP 91 Cb 0.21 -0.26 0.35 0.00 -0.02 0.00 0.00 41.12 41.40 2x9t n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2x9t n TYR 92 N -0.19 2.00 0.07 1.24 4.02 -0.51 -3.97 117.16 119.83 2x9t n TYR 92 Ca 0.01 -0.94 0.04 0.00 -0.01 0.00 0.00 57.90 57.01 2x9t n TYR 92 Cb 0.16 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 38.90 2x9t n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2x9t h ARG 93 N 3.13 0.00 -2.81 -0.72 9.65 -1.75 -3.37 114.38 118.51 2x9t h ARG 93 Ca 0.09 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.29 2x9t h ARG 93 Cb 2.01 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.55 2x9t h ARG 93 CO 0.53 0.20 3.14 0.00 2.80 0.00 0.00 179.97 186.65 2x9t n ALA 94 N -2.31 7.23 0.00 2.80 0.00 -1.25 -2.62 120.51 124.36 2x9t n ALA 94 Ca -0.06 -3.72 0.00 0.00 0.00 0.00 0.00 53.44 49.67 2x9t n ALA 94 Cb 0.73 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 17.09 2x9t n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2x9t n LYS 95 N 2.76 0.00 -0.08 0.00 -0.00 -1.26 -4.96 118.16 114.62 2x9t n LYS 95 Ca 0.71 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.84 2x9t n LYS 95 Cb 0.25 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.16 2x9t n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2x9t h LEU 96 N 0.00 0.03 0.46 -5.58 5.85 -1.71 -3.33 115.31 111.03 2x9t h LEU 96 Ca 0.00 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 2x9t h LEU 96 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2x9t h LEU 96 CO 0.00 1.27 -0.39 0.50 -0.34 0.00 0.00 178.44 179.49 2x9t h LYS 97 N -0.96 -0.81 0.00 1.25 1.63 -1.84 -3.01 116.57 112.83 2x9t h LYS 97 Ca -0.19 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 2x9t h LYS 97 Cb 1.19 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 2x9t h LYS 97 CO -0.10 -0.54 0.00 -2.30 -3.45 0.00 0.00 179.45 173.06 2x9t n PRO 98 N -5.50 0.00 -0.32 1.90 -0.02 -1.26 -4.70 135.00 125.11 2x9t n PRO 98 Ca -0.11 0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2x9t n PRO 98 Cb 0.39 -0.70 0.27 0.00 -0.02 0.00 0.00 33.50 33.45 2x9t n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2x9t n LEU 99 N -0.31 -0.83 -4.43 2.45 7.99 -1.25 -4.89 117.00 115.73 2x9t n LEU 99 Ca 0.00 -0.66 -0.44 0.00 -0.01 0.00 0.00 56.01 54.90 2x9t n LEU 99 Cb 0.00 -1.04 -0.03 0.00 -0.11 0.00 0.00 43.42 42.25 2x9t n LEU 99 CO 0.00 -4.18 0.87 -0.83 -1.51 0.00 0.00 177.39 171.74 2x9t s GLY 100 N -2.78 2.04 0.00 -0.72 0.00 -1.26 -4.39 107.32 100.20 2x9t s GLY 100 Ca 0.64 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 42.54 2x9t s GLY 100 CO 0.57 1.88 0.00 0.69 0.00 0.00 0.00 173.10 176.23 2x9t n PHE 101 N 6.14 0.00 0.00 1.90 3.01 -1.24 -5.02 117.46 122.25 2x9t n PHE 101 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 2x9t n PHE 101 Cb 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 2x9t n PHE 101 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2x9t n LEU 102 N -0.51 0.28 -3.23 4.37 0.00 -1.14 -4.81 117.00 111.96 2x9t n LEU 102 Ca 0.00 0.07 -0.34 0.00 0.00 0.00 0.00 56.01 55.74 2x9t n LEU 102 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2x9t n LEU 102 CO 0.00 0.00 -0.10 0.41 0.00 0.00 0.00 177.39 177.70 2x9t n THR 103 N -0.12 1.17 -1.90 1.96 -1.04 -1.26 -5.03 114.28 108.07 2x9t n THR 103 Ca 0.00 -0.37 -0.38 0.00 -2.04 0.00 0.00 64.05 61.26 2x9t n THR 103 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2x9t n THR 103 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2x9t s ARG 104 N -0.74 3.26 0.00 -2.82 3.52 -1.26 -5.03 118.95 115.88 2x9t s ARG 104 Ca 0.46 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 2x9t s ARG 104 Cb -0.62 -2.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2x9t s ARG 104 CO 0.43 -1.06 0.00 -0.25 -0.81 0.00 0.00 175.30 173.61 2x9t n ASP 105 N -0.95 0.00 -1.84 -2.12 8.00 -1.26 -4.81 116.55 113.58 2x9t n ASP 105 Ca 0.10 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.59 2x9t n ASP 105 Cb 0.46 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.89 2x9t n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x9t n ALA 106 N -3.00 4.22 -2.63 2.24 0.00 -1.26 -4.92 120.51 115.17 2x9t n ALA 106 Ca 0.00 -2.26 -0.41 0.00 0.00 0.00 0.00 53.44 50.78 2x9t n ALA 106 Cb 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 2x9t n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2x9t s ARG 107 N -2.93 4.13 -0.05 0.00 0.52 -1.26 -5.06 118.95 114.30 2x9t s ARG 107 Ca 0.54 0.65 0.04 0.00 -0.52 0.00 0.00 55.73 56.44 2x9t s ARG 107 Cb 0.42 -3.65 -0.00 0.00 0.52 0.00 0.00 34.95 32.24 2x9t s ARG 107 CO 0.13 -0.44 -0.17 0.14 0.02 0.00 0.00 175.30 174.98 2x9t s VAL 108 N 2.60 1.40 -0.85 3.52 -7.23 -1.26 -4.81 120.40 113.77 2x9t s VAL 108 Ca 0.28 -0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 59.54 2x9t s VAL 108 Cb -0.15 -1.21 -0.21 0.00 0.56 0.00 0.00 36.38 35.37 2x9t s VAL 108 CO 0.08 0.41 2.41 0.52 -0.31 0.00 0.00 175.10 178.21 2x9t n VAL 109 N 3.23 -0.02 -0.65 1.32 0.31 -1.26 -4.85 118.33 116.42 2x9t n VAL 109 Ca -0.19 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.40 2x9t n VAL 109 Cb 0.53 -1.18 0.19 0.00 -0.91 0.00 0.00 33.84 32.46 2x9t n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2x9t s GLU 110 N 8.24 0.51 0.72 5.55 -1.05 -1.26 -4.97 118.70 126.44 2x9t s GLU 110 Ca 1.17 1.39 -0.16 0.00 -0.15 0.00 0.00 54.97 57.22 2x9t s GLU 110 Cb -0.64 -1.68 0.03 0.00 -0.44 0.00 0.00 34.13 31.40 2x9t s GLU 110 CO 0.37 -2.92 1.24 0.50 0.95 0.00 0.00 175.26 175.39 2x9t s ARG 111 N -4.60 2.18 -0.42 -4.83 3.52 -1.26 -4.99 118.95 108.55 2x9t s ARG 111 Ca 0.67 1.88 -0.17 0.00 -0.13 0.00 0.00 55.73 57.98 2x9t s ARG 111 Cb -0.23 -1.82 0.02 0.00 -1.56 0.00 0.00 34.95 31.36 2x9t s ARG 111 CO 0.60 -1.83 0.42 0.21 -0.81 0.00 0.00 175.30 173.88 2x9t s LYS 112 N -3.75 3.07 0.13 5.12 2.36 -1.26 -4.53 119.74 120.87 2x9t s LYS 112 Ca 0.77 -0.83 -0.27 0.00 -2.55 0.00 0.00 55.97 53.10 2x9t s LYS 112 Cb -0.32 -3.98 -0.07 0.00 -1.05 0.00 0.00 37.83 32.41 2x9t s LYS 112 CO 0.44 -0.86 0.83 0.15 1.55 0.00 0.00 175.35 177.46 2x9t s LYS 113 N 2.06 4.61 1.00 4.03 3.01 -1.26 -4.76 119.74 128.43 2x9t s LYS 113 Ca 0.11 1.23 -0.15 0.00 -1.01 0.00 0.00 55.97 56.15 2x9t s LYS 113 Cb -0.18 -3.32 0.05 0.00 -1.01 0.00 0.00 37.83 33.38 2x9t s LYS 113 CO 0.13 0.41 0.24 2.48 0.51 0.00 0.00 175.35 179.12 2x9t n TYR 114 N 2.16 -1.55 -1.24 3.18 -0.00 -1.26 -2.97 117.16 115.48 2x9t n TYR 114 Ca -0.03 0.20 -0.08 0.00 -0.00 0.00 0.00 57.90 57.99 2x9t n TYR 114 Cb 0.49 -1.71 -0.04 0.00 -0.00 0.00 0.00 39.34 38.09 2x9t n TYR 114 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2x9t n GLY 115 N 1.72 1.00 3.15 -7.48 0.00 -1.26 -4.96 105.19 97.37 2x9t n GLY 115 Ca 0.05 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.64 2x9t n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x9t s LYS 116 N -2.53 0.57 0.35 1.61 1.02 -1.16 -4.52 119.74 115.08 2x9t s LYS 116 Ca 0.00 0.92 0.27 0.00 0.02 0.00 0.00 55.97 57.18 2x9t s LYS 116 Cb 0.00 0.50 1.16 0.00 -0.52 0.00 0.00 37.83 38.97 2x9t s LYS 116 CO 0.00 -0.70 1.17 0.72 -0.92 0.00 0.00 175.35 175.62 2x9t n HIS 117 N 5.43 0.41 -2.73 3.18 8.25 -1.13 -2.58 115.22 126.05 2x9t n HIS 117 Ca 0.00 0.41 -0.05 0.00 -0.26 0.00 0.00 57.72 57.82 2x9t n HIS 117 Cb 0.52 -0.81 0.05 0.00 1.12 0.00 0.00 29.99 30.87 2x9t n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2x9t n LYS 118 N -4.02 1.38 0.00 -0.41 5.02 -1.24 -5.00 118.16 113.89 2x9t n LYS 118 Ca 0.31 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 2x9t n LYS 118 Cb 1.25 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 2x9t n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9t n ALA 119 N -0.44 0.00 0.00 7.82 0.00 -1.07 -4.18 120.51 122.65 2x9t n ALA 119 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2x9t n ALA 119 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 2x9t n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x9t n ARG 120 N 0.00 0.00 -1.66 0.00 1.74 -1.26 -4.36 116.66 111.12 2x9t n ARG 120 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 2x9t n ARG 120 Cb 0.00 -0.35 -0.06 0.00 -1.02 0.00 0.00 32.46 31.03 2x9t n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2x9t s ARG 121 N -1.13 1.88 0.79 5.56 3.00 -1.26 -4.92 118.95 122.87 2x9t s ARG 121 Ca 0.00 0.57 -0.11 0.00 -1.00 0.00 0.00 55.73 55.19 2x9t s ARG 121 Cb 0.00 -4.77 0.06 0.00 0.00 0.00 0.00 34.95 30.25 2x9t s ARG 121 CO 0.00 -3.99 1.09 0.00 0.00 0.00 0.00 175.30 172.40 2x9t s ALA 122 N 13.36 2.17 0.98 6.12 0.00 -1.26 -2.83 121.76 140.30 2x9t s ALA 122 Ca 0.89 0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 2x9t s ALA 122 Cb -0.13 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.91 2x9t s ALA 122 CO 0.11 -1.83 1.09 -1.25 0.00 0.00 0.00 175.76 173.88 2x9t s PRO 123 N -4.92 0.59 -0.13 0.00 0.04 -1.26 -4.85 135.00 124.47 2x9t s PRO 123 Ca 0.61 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 2x9t s PRO 123 Cb -0.17 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2x9t s PRO 123 CO 0.56 -2.75 1.20 -1.14 0.04 0.00 0.00 177.00 174.91 2x9t s GLN 124 N -4.74 4.29 0.28 4.56 0.74 -1.26 -4.99 119.66 118.55 2x9t s GLN 124 Ca 0.66 1.62 -0.29 0.00 0.05 0.00 0.00 55.36 57.39 2x9t s GLN 124 Cb -0.21 -3.66 -0.10 0.00 1.10 0.00 0.00 33.01 30.14 2x9t s GLN 124 CO 0.59 -0.57 1.32 -0.47 -0.55 0.00 0.00 175.29 175.60 2x9t s TYR 125 N 2.88 3.13 -0.02 1.67 6.04 -1.26 -4.96 117.35 124.82 2x9t s TYR 125 Ca 0.54 1.33 -0.05 0.00 0.04 0.00 0.00 57.07 58.92 2x9t s TYR 125 Cb -0.22 -3.66 -0.03 0.00 -1.04 0.00 0.00 41.96 37.02 2x9t s TYR 125 CO 0.17 -1.91 -0.11 0.43 -1.54 0.00 0.00 175.55 172.59 2x9t n SER 126 N 1.50 1.04 0.00 4.32 7.64 -1.26 -5.00 113.62 121.86 2x9t n SER 126 Ca 0.02 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2x9t n SER 126 Cb 0.42 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2x9t n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2x9t n LYS 127 N -3.62 0.00 0.00 1.43 4.81 -1.26 -5.36 118.16 114.16 2x9t n LYS 127 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2x9t n LYS 127 Cb 0.34 -0.36 0.00 0.00 0.02 0.00 0.00 35.03 35.03 2x9t n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46