#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nee s ASP 2 N 0.00 2.16 1.17 7.83 1.11 -1.26 -5.02 116.67 122.66 1nee s ASP 2 Ca 0.00 1.46 -0.10 0.00 0.18 0.00 0.00 52.55 54.09 1nee s ASP 2 Cb 0.00 -2.16 0.16 0.00 1.07 0.00 0.00 42.92 41.99 1nee s ASP 2 CO 0.00 -3.46 0.46 0.47 1.18 0.00 0.00 175.17 173.82 1nee n ASP 3 N -4.42 -2.24 -4.72 0.27 9.92 -1.26 -4.94 116.55 109.17 1nee n ASP 3 Ca 0.05 -0.62 -0.42 0.00 -0.53 0.00 0.00 54.79 53.28 1nee n ASP 3 Cb 0.55 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.54 1nee n ASP 3 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1nee s TYR 4 N -1.72 3.50 -0.30 1.24 1.51 -1.26 -4.98 117.35 115.34 1nee s TYR 4 Ca 0.32 1.42 -0.29 0.00 -1.01 0.00 0.00 57.07 57.51 1nee s TYR 4 Cb -0.04 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.47 1nee s TYR 4 CO 0.26 -0.95 1.27 -1.21 -1.11 0.00 0.00 175.55 173.80 1nee s GLU 5 N 0.76 3.94 0.73 -0.62 2.02 -1.26 -5.01 118.70 119.26 1nee s GLU 5 Ca 0.56 1.22 -0.11 0.00 0.02 0.00 0.00 54.97 56.66 1nee s GLU 5 Cb -0.28 -3.86 0.03 0.00 0.10 0.00 0.00 34.13 30.12 1nee s GLU 5 CO 0.30 -1.08 1.07 -1.59 0.02 0.00 0.00 175.26 173.98 1nee s LYS 6 N 4.08 2.65 0.00 1.61 -2.85 -1.26 -4.95 119.74 119.02 1nee s LYS 6 Ca 0.54 0.86 0.13 0.00 -1.00 0.00 0.00 55.97 56.51 1nee s LYS 6 Cb -0.16 -1.96 0.55 0.00 -2.06 0.00 0.00 37.83 34.19 1nee s LYS 6 CO 0.22 -1.28 1.38 -0.11 0.10 0.00 0.00 175.35 175.66 1nee n LEU 7 N -3.24 0.90 -3.83 2.77 7.94 -1.26 -4.67 117.00 115.61 1nee n LEU 7 Ca 0.07 -0.41 -0.40 0.00 -1.11 0.00 0.00 56.01 54.16 1nee n LEU 7 Cb 0.54 -0.09 -0.07 0.00 0.53 0.00 0.00 43.42 44.34 1nee n LEU 7 CO 0.56 0.21 1.88 0.18 -1.11 0.00 0.00 177.39 179.11 1nee n LEU 8 N -0.10 3.42 -3.52 -1.96 4.32 -1.26 -4.79 117.00 113.11 1nee n LEU 8 Ca 0.11 -2.76 -0.39 0.00 -0.02 0.00 0.00 56.01 52.94 1nee n LEU 8 Cb 0.17 -1.18 -0.02 0.00 -1.62 0.00 0.00 43.42 40.77 1nee n LEU 8 CO 0.08 -0.96 2.74 -1.84 -1.22 0.00 0.00 177.39 176.19 1nee n GLU 9 N 7.42 2.73 -3.41 3.23 0.28 -1.26 -4.90 120.64 124.73 1nee n GLU 9 Ca 0.48 -2.20 -0.38 0.00 -0.16 0.00 0.00 57.16 54.91 1nee n GLU 9 Cb 0.42 -2.97 -0.07 0.00 1.43 0.00 0.00 31.44 30.24 1nee n GLU 9 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1nee s ARG 10 N 3.28 4.20 -1.17 3.44 1.70 -1.26 -4.28 118.95 124.86 1nee s ARG 10 Ca 0.54 0.20 -0.00 0.00 -0.47 0.00 0.00 55.73 56.00 1nee s ARG 10 Cb 0.15 -3.51 -0.00 0.00 -0.57 0.00 0.00 34.95 31.01 1nee s ARG 10 CO -0.04 0.02 0.98 0.00 -1.08 0.00 0.00 175.30 175.18 1nee n ALA 11 N 4.26 -2.00 0.05 7.88 0.00 -1.26 -4.93 120.51 124.51 1nee n ALA 11 Ca -0.09 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1nee n ALA 11 Cb 0.51 -2.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.26 1nee n ALA 11 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1nee n ILE 12 N -4.02 0.00 0.00 0.00 -6.64 -1.26 -4.38 119.36 103.06 1nee n ILE 12 Ca -0.27 -0.41 0.00 0.00 -1.77 0.00 0.00 62.75 60.29 1nee n ILE 12 Cb 0.66 0.12 0.00 0.00 -1.44 0.00 0.00 39.64 38.99 1nee n ILE 12 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1nee n ASP 13 N -2.12 0.00 0.00 7.28 9.92 -1.26 -4.89 116.55 125.48 1nee n ASP 13 Ca -0.03 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1nee n ASP 13 Cb 0.49 -0.26 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1nee n ASP 13 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1nee n GLN 14 N -1.47 0.00 -1.72 -1.24 -0.06 -1.26 -5.10 117.38 106.52 1nee n GLN 14 Ca 0.00 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1nee n GLN 14 Cb 0.00 -0.67 0.00 0.00 -4.06 0.00 0.00 30.24 25.51 1nee n GLN 14 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1nee n LEU 15 N -1.79 -4.77 -4.63 1.69 7.94 -1.26 -4.80 117.00 109.39 1nee n LEU 15 Ca 0.00 3.12 -0.48 0.00 -1.11 0.00 0.00 56.01 57.54 1nee n LEU 15 Cb 0.00 -3.00 -0.05 0.00 0.53 0.00 0.00 43.42 40.90 1nee n LEU 15 CO 0.00 -0.21 0.98 -0.81 -1.11 0.00 0.00 177.39 176.24 1nee n PRO 16 N -0.04 1.62 0.00 1.96 -0.04 -1.26 -4.98 135.00 132.25 1nee n PRO 16 Ca 0.00 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1nee n PRO 16 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1nee n PRO 16 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nee n PRO 17 N 2.61 1.40 0.00 0.54 -0.04 -1.26 -4.30 135.00 133.94 1nee n PRO 17 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1nee n PRO 17 Cb 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 1nee n PRO 17 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nee n GLU 18 N 0.00 0.00 -3.33 0.54 1.02 -1.26 -4.67 120.64 112.94 1nee n GLU 18 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1nee n GLU 18 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1nee s VAL 19 N 0.00 5.12 0.32 2.62 1.01 -1.26 -5.07 120.40 123.14 1nee s VAL 19 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.54 1nee s VAL 19 Cb 0.00 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1nee s VAL 19 CO 0.00 0.04 0.44 2.22 0.00 0.00 0.00 175.10 177.79 1nee n PHE 20 N 5.46 -2.76 -3.59 5.22 -1.74 -1.26 -4.87 117.46 113.92 1nee n PHE 20 Ca -0.07 -1.05 -0.04 0.00 -0.56 0.00 0.00 57.45 55.73 1nee n PHE 20 Cb 0.50 -0.30 -0.02 0.00 1.52 0.00 0.00 39.48 41.18 1nee n PHE 20 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1nee s GLU 21 N -3.45 0.36 0.92 3.97 2.56 -1.26 -4.92 118.70 116.88 1nee s GLU 21 Ca 0.32 -0.14 -0.13 0.00 0.00 0.00 0.00 54.97 55.02 1nee s GLU 21 Cb -0.02 0.16 0.15 0.00 2.00 0.00 0.00 34.13 36.41 1nee s GLU 21 CO 0.21 -0.16 1.15 -0.08 -0.56 0.00 0.00 175.26 175.82 1nee s THR 22 N -2.48 1.98 0.16 -1.70 -1.32 -1.26 -4.95 115.64 106.06 1nee s THR 22 Ca 0.09 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.57 1nee s THR 22 Cb -0.01 -2.77 -0.04 0.00 -1.51 0.00 0.00 72.50 68.17 1nee s THR 22 CO -0.05 0.00 0.34 -0.54 -2.21 0.00 0.00 174.62 172.16 1nee s LYS 23 N -5.35 3.51 -0.34 7.08 3.01 -1.26 -5.00 119.74 121.39 1nee s LYS 23 Ca 0.65 -0.36 -0.01 0.00 -1.01 0.00 0.00 55.97 55.24 1nee s LYS 23 Cb -0.13 -2.90 0.26 0.00 -1.01 0.00 0.00 37.83 34.04 1nee s LYS 23 CO 0.53 0.47 1.94 0.54 0.51 0.00 0.00 175.35 179.34 1nee n ARG 24 N -0.35 1.86 -3.02 1.68 3.00 -1.26 -4.90 116.66 113.66 1nee n ARG 24 Ca -0.05 -1.71 -0.41 0.00 -0.01 0.00 0.00 57.85 55.67 1nee n ARG 24 Cb 0.53 -1.67 -0.06 0.00 0.00 0.00 0.00 32.46 31.26 1nee n ARG 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1nee s PHE 25 N -1.98 3.25 -0.29 -1.55 0.08 -1.26 -4.88 117.98 111.36 1nee s PHE 25 Ca 0.34 0.83 -0.00 0.00 0.12 0.00 0.00 56.93 58.21 1nee s PHE 25 Cb 0.27 -3.02 0.14 0.00 -0.57 0.00 0.00 43.02 39.84 1nee s PHE 25 CO 0.00 -0.44 0.31 -2.00 -0.10 0.00 0.00 175.22 173.00 1nee s GLU 26 N 2.72 0.33 -0.42 0.44 -6.30 -1.26 -5.03 118.70 109.17 1nee s GLU 26 Ca 0.29 -0.09 0.08 0.00 -2.50 0.00 0.00 54.97 52.76 1nee s GLU 26 Cb -0.15 -0.62 0.33 0.00 0.00 0.00 0.00 34.13 33.69 1nee s GLU 26 CO 0.10 -1.02 0.95 0.28 0.02 0.00 0.00 175.26 175.59 1nee n VAL 27 N 5.32 -0.08 -0.05 3.70 0.31 -1.26 -5.13 118.33 121.14 1nee n VAL 27 Ca -0.02 -2.76 -0.03 0.00 -0.01 0.00 0.00 64.34 61.52 1nee n VAL 27 Cb 0.47 0.74 0.03 0.00 -0.91 0.00 0.00 33.84 34.17 1nee n VAL 27 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1nee n PRO 28 N 0.39 -1.24 -2.22 5.55 -0.02 -1.26 -4.75 135.00 131.45 1nee n PRO 28 Ca 0.14 -0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 1nee n PRO 28 Cb 0.68 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1nee n PRO 28 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nee n LYS 29 N -1.75 -1.04 -3.65 -0.52 5.02 -1.26 -5.08 118.16 109.87 1nee n LYS 29 Ca 0.01 1.23 -0.06 0.00 -2.02 0.00 0.00 58.31 57.47 1nee n LYS 29 Cb 0.06 -3.64 -0.08 0.00 -0.02 0.00 0.00 35.03 31.35 1nee n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nee s ALA 30 N -2.19 -1.43 0.00 7.82 0.00 -1.26 -4.97 121.76 119.73 1nee s ALA 30 Ca 0.09 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1nee s ALA 30 Cb -0.02 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1nee s ALA 30 CO 0.39 -0.82 0.00 2.48 0.00 0.00 0.00 175.76 177.81 1nee n TYR 31 N 5.41 0.00 -0.83 0.00 4.11 -1.26 -4.87 117.16 119.72 1nee n TYR 31 Ca -0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.51 1nee n TYR 31 Cb 0.49 0.00 0.25 0.00 -0.00 0.00 0.00 39.34 40.09 1nee n TYR 31 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1nee s SER 32 N 0.00 0.35 0.00 9.48 1.04 -1.26 -5.01 113.70 118.29 1nee s SER 32 Ca 0.00 0.78 0.03 0.00 0.48 0.00 0.00 55.95 57.24 1nee s SER 32 Cb 0.00 -1.12 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 1nee s SER 32 CO 0.00 -4.49 -0.10 -0.69 0.98 0.00 0.00 173.24 168.94 1nee s VAL 33 N -2.74 0.77 0.21 5.02 1.01 -1.25 -4.85 120.40 118.58 1nee s VAL 33 Ca 0.70 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1nee s VAL 33 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1nee s VAL 33 CO 0.57 0.16 0.31 -0.63 0.00 0.00 0.00 175.10 175.51 1nee s ILE 34 N -0.34 5.18 -0.39 2.22 1.09 -1.26 -0.64 121.20 127.05 1nee s ILE 34 Ca 0.03 -0.93 0.07 0.00 -1.10 0.00 0.00 60.65 58.72 1nee s ILE 34 Cb -0.04 -3.76 0.18 0.00 -1.06 0.00 0.00 42.46 37.78 1nee s ILE 34 CO -0.00 -0.24 0.63 -1.10 -0.10 0.00 0.00 174.94 174.13 1nee s GLN 35 N -3.69 0.77 0.52 2.79 -0.21 -0.41 -4.88 119.66 114.56 1nee s GLN 35 Ca 0.34 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.57 1nee s GLN 35 Cb -0.10 0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.03 1nee s GLN 35 CO 0.28 -1.15 0.00 0.41 -2.12 0.00 0.00 175.29 172.71 1nee n GLY 36 N 4.54 1.43 0.60 3.09 0.00 -1.26 -1.94 105.19 111.64 1nee n GLY 36 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1nee n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nee n ASN 37 N 3.55 0.06 -4.10 1.61 4.05 -1.26 -5.10 115.26 114.07 1nee n ASN 37 Ca 0.00 -1.80 -0.15 0.00 0.45 0.00 0.00 54.58 53.08 1nee n ASN 37 Cb 0.00 -0.16 -0.12 0.00 1.23 0.00 0.00 39.78 40.74 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nee s ARG 38 N 0.00 0.65 -0.20 1.20 3.03 -0.82 -2.37 118.95 120.45 1nee s ARG 38 Ca 0.03 -0.80 -0.06 0.00 2.03 0.00 0.00 55.73 56.93 1nee s ARG 38 Cb 0.03 -0.53 -0.03 0.00 -1.03 0.00 0.00 34.95 33.39 1nee s ARG 38 CO -0.01 0.11 0.04 -0.08 -1.13 0.00 0.00 175.30 174.23 1nee s THR 39 N -1.25 4.43 -1.05 4.99 -1.32 0.10 -1.28 115.64 120.26 1nee s THR 39 Ca -0.06 -0.16 -0.14 0.00 -1.21 0.00 0.00 61.69 60.13 1nee s THR 39 Cb -0.09 -3.00 0.19 0.00 -1.51 0.00 0.00 72.50 68.08 1nee s THR 39 CO 0.01 0.43 1.17 0.12 -2.21 0.00 0.00 174.62 174.14 1nee s PHE 40 N 0.74 3.62 0.04 9.09 5.36 0.18 -1.46 117.98 135.57 1nee s PHE 40 Ca 0.02 -2.04 -0.30 0.00 -0.96 0.00 0.00 56.93 53.65 1nee s PHE 40 Cb -0.14 -4.12 -0.04 0.00 -0.34 0.00 0.00 43.02 38.38 1nee s PHE 40 CO 0.02 -1.25 0.98 0.96 -1.46 0.00 0.00 175.22 174.47 1nee s ILE 41 N 0.99 4.69 0.00 3.12 -4.36 -0.95 -3.77 121.20 120.93 1nee s ILE 41 Ca 0.33 2.04 0.00 0.00 -0.26 0.00 0.00 60.65 62.76 1nee s ILE 41 Cb -0.06 -4.30 0.00 0.00 1.25 0.00 0.00 42.46 39.35 1nee s ILE 41 CO -0.06 0.22 0.00 0.00 0.24 0.00 0.00 174.94 175.34 1nee n GLN 42 N 3.48 0.00 -1.66 0.37 10.64 -1.26 -2.66 117.38 126.29 1nee n GLN 42 Ca 0.05 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.86 1nee n GLN 42 Cb 0.50 -0.80 0.06 0.00 -0.86 0.00 0.00 30.24 29.14 1nee n GLN 42 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1nee n ASN 43 N -2.35 7.34 -0.26 2.61 3.02 -1.26 -4.73 115.26 119.63 1nee n ASN 43 Ca 0.00 -3.80 0.33 0.00 -0.03 0.00 0.00 54.58 51.08 1nee n ASN 43 Cb 0.38 -0.95 0.68 0.00 -0.61 0.00 0.00 39.78 39.27 1nee n ASN 43 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1nee h PHE 44 N 2.43 0.00 0.08 3.10 -5.15 -1.95 1.54 116.94 116.98 1nee h PHE 44 Ca 0.57 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.33 1nee h PHE 44 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.72 1nee h PHE 44 CO 1.27 0.00 -0.04 -0.09 -2.00 0.00 0.00 178.31 177.46 1nee h ARG 45 N 0.00 -0.10 0.04 6.09 1.12 -1.98 -1.84 114.38 117.71 1nee h ARG 45 Ca 0.52 0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 59.31 1nee h ARG 45 Cb 2.42 0.02 0.01 0.00 -0.01 0.00 0.00 29.97 32.41 1nee h ARG 45 CO -0.01 0.45 -0.36 1.49 -3.11 0.00 0.00 179.97 178.43 1nee h GLU 46 N -0.77 0.18 -0.68 0.20 4.81 -1.05 -2.75 114.58 114.52 1nee h GLU 46 Ca -0.01 -0.24 0.03 0.00 -0.13 0.00 0.00 59.36 59.01 1nee h GLU 46 Cb 0.60 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1nee h GLU 46 CO 0.02 1.04 0.45 0.28 -0.73 0.00 0.00 179.01 180.06 1nee h VAL 47 N -0.57 1.10 0.03 0.32 2.07 0.19 -2.62 116.25 116.77 1nee h VAL 47 Ca -0.06 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1nee h VAL 47 Cb 1.20 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1nee h VAL 47 CO 0.07 0.15 -0.02 0.00 0.02 0.00 0.00 177.57 177.79 1nee h ALA 48 N 1.61 -0.04 -0.05 1.67 0.00 -1.40 -2.20 119.26 118.83 1nee h ALA 48 Ca 0.27 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1nee h ALA 48 Cb 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1nee h ALA 48 CO -0.08 -0.26 -0.23 0.22 0.00 0.00 0.00 179.25 178.90 1nee h ASP 49 N -0.57 -0.72 -0.49 0.00 1.82 -1.21 0.76 116.42 116.01 1nee h ASP 49 Ca -0.00 0.09 0.09 0.00 -0.39 0.00 0.00 57.03 56.81 1nee h ASP 49 Cb 0.52 0.28 -0.07 0.00 0.68 0.00 0.00 39.33 40.74 1nee h ASP 49 CO 0.01 -0.20 0.05 0.00 -1.61 0.00 0.00 179.24 177.48 1nee h ALA 50 N -0.96 0.51 0.00 -0.78 0.00 -1.60 0.24 119.26 116.68 1nee h ALA 50 Ca 0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nee h ALA 50 Cb 0.29 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1nee h ALA 50 CO -0.18 -0.35 -0.00 1.25 0.00 0.00 0.00 179.25 179.96 1nee h LEU 51 N 0.17 0.00 0.00 0.00 5.85 -0.96 -3.32 115.31 117.05 1nee h LEU 51 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1nee h LEU 51 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1nee h LEU 51 CO -0.37 0.00 0.00 -3.20 -0.34 0.00 0.00 178.44 174.54 1nee n ASN 52 N -3.10 0.00 -0.32 1.25 2.85 0.26 -4.73 115.26 111.47 1nee n ASN 52 Ca -0.01 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.63 1nee n ASN 52 Cb 0.21 0.00 0.37 0.00 1.24 0.00 0.00 39.78 41.60 1nee n ASN 52 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1nee h ARG 53 N 0.00 0.40 -6.40 1.20 9.65 -1.01 -3.30 114.38 114.93 1nee h ARG 53 Ca 0.00 -0.02 -0.54 0.00 -1.10 0.00 0.00 59.98 58.31 1nee h ARG 53 Cb 0.00 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1nee h ARG 53 CO 0.00 0.27 0.50 0.34 2.80 0.00 0.00 179.97 183.87 1nee s ASP 54 N -5.10 7.23 0.01 -3.80 -1.08 -1.26 -4.74 116.67 107.92 1nee s ASP 54 Ca -0.11 1.77 -0.21 0.00 -0.52 0.00 0.00 52.55 53.48 1nee s ASP 54 Cb 0.27 -2.57 -0.18 0.00 -1.46 0.00 0.00 42.92 38.98 1nee s ASP 54 CO 0.79 -0.39 1.22 1.55 0.52 0.00 0.00 175.17 178.86 1nee h PRO 55 N 6.93 0.35 -0.11 4.34 0.13 -1.93 -3.13 132.00 138.58 1nee h PRO 55 Ca -0.39 -0.25 0.03 0.00 -0.87 0.00 0.00 66.00 64.52 1nee h PRO 55 Cb 1.20 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nee h PRO 55 CO 0.80 0.88 0.09 1.96 -0.23 0.00 0.00 178.00 181.49 1nee h GLN 56 N -0.12 0.00 0.49 0.86 4.20 -1.94 -2.47 115.11 116.12 1nee h GLN 56 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1nee h GLN 56 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1nee h GLN 56 CO 0.06 0.00 -0.23 1.25 -0.67 0.00 0.00 178.83 179.23 1nee h HIS 57 N 0.00 -0.61 -0.93 2.96 2.76 -1.93 -2.58 115.15 114.83 1nee h HIS 57 Ca 0.05 -0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.48 1nee h HIS 57 Cb 0.23 0.20 -0.15 0.00 1.55 0.00 0.00 27.41 29.24 1nee h HIS 57 CO 0.00 -0.38 0.32 1.25 -1.30 0.00 0.00 177.93 177.82 1nee h LEU 58 N -0.99 0.11 -0.12 0.26 5.85 -1.45 0.24 115.31 119.21 1nee h LEU 58 Ca -0.07 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nee h LEU 58 Cb 0.50 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1nee h LEU 58 CO 0.11 -0.18 0.07 -0.07 -0.34 0.00 0.00 178.44 178.04 1nee h LEU 59 N 0.21 0.14 -1.52 2.25 3.38 -1.47 -1.41 115.31 116.90 1nee h LEU 59 Ca 0.62 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.54 1nee h LEU 59 Cb 1.32 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1nee h LEU 59 CO -0.67 0.12 0.06 0.50 0.09 0.00 0.00 178.44 178.54 1nee h LYS 60 N 0.14 0.37 -0.23 1.13 3.64 -0.21 -2.65 116.57 118.77 1nee h LYS 60 Ca 0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1nee h LYS 60 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1nee h LYS 60 CO -0.01 0.35 -0.01 0.35 -2.27 0.00 0.00 179.45 177.87 1nee h PHE 61 N 0.37 0.45 -0.72 1.91 3.04 -0.32 -0.98 116.94 120.68 1nee h PHE 61 Ca 0.09 -0.08 0.04 0.00 3.98 0.00 0.00 57.97 62.00 1nee h PHE 61 Cb 0.15 -0.12 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 1nee h PHE 61 CO 0.00 0.59 0.45 1.37 -2.02 0.00 0.00 178.31 178.70 1nee h LEU 62 N 0.17 0.72 -1.17 0.59 8.10 -0.94 -1.00 115.31 121.78 1nee h LEU 62 Ca 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.02 1nee h LEU 62 Cb 0.42 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 1nee h LEU 62 CO 0.01 0.49 -0.20 0.25 -4.11 0.00 0.00 178.44 174.89 1nee h LEU 63 N 0.86 0.00 -0.26 0.17 5.85 -1.39 0.79 115.31 121.33 1nee h LEU 63 Ca 0.30 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.82 1nee h LEU 63 Cb 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1nee h LEU 63 CO -0.12 0.20 -0.89 0.03 -0.34 0.00 0.00 178.44 177.31 1nee h ARG 64 N 0.00 0.13 0.00 1.25 2.47 0.08 -3.34 114.38 114.97 1nee h ARG 64 Ca -0.00 -0.15 -0.38 0.00 -1.26 0.00 0.00 59.98 58.19 1nee h ARG 64 Cb 0.71 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 29.00 1nee h ARG 64 CO 0.03 0.93 -2.41 -1.91 0.56 0.00 0.00 179.97 177.17 1nee n GLU 65 N -3.60 0.68 -1.58 0.04 4.07 -0.63 -4.91 120.64 114.71 1nee n GLU 65 Ca -0.03 0.04 -0.45 0.00 -0.06 0.00 0.00 57.16 56.66 1nee n GLU 65 Cb 0.82 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 30.64 1nee n GLU 65 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1nee n LEU 66 N -2.90 3.09 -0.58 4.31 4.32 0.27 -3.83 117.00 121.69 1nee n LEU 66 Ca -0.37 0.35 0.10 0.00 -0.02 0.00 0.00 56.01 56.08 1nee n LEU 66 Cb 1.11 -1.48 0.35 0.00 -1.62 0.00 0.00 43.42 41.79 1nee n LEU 66 CO 0.38 -0.59 0.76 0.61 -1.22 0.00 0.00 177.39 177.33 1nee n GLY 67 N 5.76 0.35 3.65 -0.72 0.00 -1.26 -4.84 105.19 108.13 1nee n GLY 67 Ca 0.31 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1nee n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nee s THR 68 N -1.76 2.16 0.13 2.61 -4.23 -1.24 -5.00 115.64 108.30 1nee s THR 68 Ca 0.32 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.71 1nee s THR 68 Cb 0.17 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1nee s THR 68 CO 0.25 -0.03 1.12 0.00 -0.54 0.00 0.00 174.62 175.42 1nee n ALA 69 N -1.04 -0.37 -0.82 3.99 0.00 -1.26 -4.77 120.51 116.23 1nee n ALA 69 Ca -0.04 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1nee n ALA 69 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1nee n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nee n GLY 70 N -1.22 -1.97 3.71 0.00 0.00 -1.23 -4.99 105.19 99.49 1nee n GLY 70 Ca 0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 1nee n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee s ASN 71 N 0.00 -0.32 -0.43 1.61 4.22 -1.26 -4.88 114.94 113.87 1nee s ASN 71 Ca 0.00 -0.38 -0.21 0.00 -2.14 0.00 0.00 52.86 50.13 1nee s ASN 71 Cb 0.00 0.62 0.02 0.00 1.28 0.00 0.00 41.25 43.17 1nee s ASN 71 CO 0.00 -1.10 0.66 -0.76 -2.04 0.00 0.00 177.10 173.85 1nee s LEU 72 N -2.85 4.46 0.10 3.54 2.01 -1.26 -2.21 118.68 122.46 1nee s LEU 72 Ca 0.09 -0.28 0.03 0.00 0.01 0.00 0.00 54.13 53.98 1nee s LEU 72 Cb -0.03 -2.76 -0.04 0.00 0.01 0.00 0.00 46.19 43.37 1nee s LEU 72 CO 0.00 -0.78 0.10 -0.70 1.01 0.00 0.00 176.35 175.98 1nee s GLU 73 N 2.86 2.94 0.28 1.70 2.56 -0.77 -4.73 118.70 123.54 1nee s GLU 73 Ca 0.23 -0.71 0.00 0.00 0.00 0.00 0.00 54.97 54.50 1nee s GLU 73 Cb -0.14 -2.74 0.00 0.00 2.00 0.00 0.00 34.13 33.25 1nee s GLU 73 CO 0.19 0.55 0.00 0.41 -0.56 0.00 0.00 175.26 175.85 1nee n GLY 74 N 0.27 -2.00 0.40 -1.50 0.00 -1.26 -2.28 105.19 98.82 1nee n GLY 74 Ca -0.08 -1.24 0.20 0.00 0.00 0.00 0.00 46.02 44.89 1nee n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nee h GLY 75 N -0.97 0.31 0.00 -0.02 0.00 -2.02 -3.42 103.07 96.95 1nee h GLY 75 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1nee h GLY 75 CO 0.02 0.02 0.00 -2.13 0.00 0.00 0.00 176.54 174.45 1nee n ARG 76 N -4.40 2.46 -3.73 4.80 0.63 -1.26 -5.04 116.66 110.12 1nee n ARG 76 Ca 0.14 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.73 1nee n ARG 76 Cb 0.66 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.48 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nee s ALA 77 N -3.09 4.11 -0.82 5.13 0.00 -1.09 -4.23 121.76 121.77 1nee s ALA 77 Ca 0.00 -3.84 -0.19 0.00 0.00 0.00 0.00 51.96 47.92 1nee s ALA 77 Cb 0.00 -2.60 0.12 0.00 0.00 0.00 0.00 23.12 20.64 1nee s ALA 77 CO 0.00 -2.13 1.00 0.42 0.00 0.00 0.00 175.76 175.05 1nee s ILE 78 N -1.40 4.74 0.66 0.00 1.01 -0.97 -2.24 121.20 123.01 1nee s ILE 78 Ca 0.27 -1.32 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 1nee s ILE 78 Cb -0.06 -4.69 0.14 0.00 0.01 0.00 0.00 42.46 37.85 1nee s ILE 78 CO -0.14 -1.40 0.90 0.00 0.00 0.00 0.00 174.94 174.30 1nee n LEU 79 N 6.52 0.00 -3.73 2.97 -0.00 -0.53 -1.84 117.00 120.39 1nee n LEU 79 Ca 0.12 -1.57 -0.17 0.00 -0.00 0.00 0.00 56.01 54.39 1nee n LEU 79 Cb 0.47 -0.62 -0.17 0.00 -0.00 0.00 0.00 43.42 43.10 1nee n LEU 79 CO 0.53 -1.01 -0.35 -1.58 -0.00 0.00 0.00 177.39 174.98 1nee s GLN 80 N -4.84 -0.05 0.00 1.47 0.74 -1.26 -0.72 119.66 115.00 1nee s GLN 80 Ca 0.56 0.27 0.00 0.00 0.05 0.00 0.00 55.36 56.25 1nee s GLN 80 Cb -0.03 -0.37 0.00 0.00 1.10 0.00 0.00 33.01 33.72 1nee s GLN 80 CO 0.38 -0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 1nee n GLY 81 N 4.67 -0.18 1.48 2.59 0.00 -1.00 -3.51 105.19 109.25 1nee n GLY 81 Ca -0.17 0.51 0.03 0.00 0.00 0.00 0.00 46.02 46.39 1nee n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nee n LYS 82 N 0.00 0.00 -1.33 1.61 5.02 -1.25 -4.49 118.16 117.72 1nee n LYS 82 Ca 0.00 -1.96 -0.25 0.00 -2.02 0.00 0.00 58.31 54.08 1nee n LYS 82 Cb 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1nee n PHE 83 N 0.47 1.80 -2.02 2.13 3.01 -1.26 -4.75 117.46 116.84 1nee n PHE 83 Ca 0.04 -2.06 -0.39 0.00 1.01 0.00 0.00 57.45 56.05 1nee n PHE 83 Cb 1.13 -1.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.32 1nee n PHE 83 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nee n THR 84 N 0.48 2.92 -3.96 4.37 -2.24 -1.26 -4.24 114.28 110.36 1nee n THR 84 Ca 0.45 -2.87 -0.32 0.00 -2.27 0.00 0.00 64.05 59.03 1nee n THR 84 Cb 0.54 -2.35 -0.03 0.00 -2.10 0.00 0.00 70.33 66.40 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nee n HIS 85 N 9.43 -1.70 0.00 4.78 1.44 -1.26 -4.88 115.22 123.03 1nee n HIS 85 Ca 0.49 0.66 0.00 0.00 -2.01 0.00 0.00 57.72 56.86 1nee n HIS 85 Cb 0.44 -2.71 0.00 0.00 0.12 0.00 0.00 29.99 27.84 1nee n HIS 85 CO 0.00 0.00 0.00 1.19 -2.81 0.00 0.00 176.34 174.72 1nee n PHE 86 N -4.13 0.00 -0.15 -1.40 3.01 -1.26 -3.95 117.46 109.57 1nee n PHE 86 Ca 0.06 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.44 1nee n PHE 86 Cb 0.50 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.04 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1nee h LEU 87 N 0.00 0.92 0.65 4.37 -0.00 -1.90 -2.28 115.31 117.07 1nee h LEU 87 Ca 0.00 -0.28 -0.03 0.00 -0.00 0.00 0.00 57.88 57.57 1nee h LEU 87 Cb 0.00 -0.25 0.01 0.00 -0.00 0.00 0.00 40.66 40.42 1nee h LEU 87 CO 0.00 1.03 -0.31 0.40 -0.00 0.00 0.00 178.44 179.55 1nee h ILE 88 N 0.84 0.00 -0.73 1.22 2.04 -1.90 -1.94 117.51 117.03 1nee h ILE 88 Ca 0.14 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1nee h ILE 88 Cb 0.61 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1nee h ILE 88 CO 0.04 0.00 0.39 0.78 0.00 0.00 0.00 178.15 179.36 1nee h ASN 89 N -0.92 0.55 0.63 1.72 4.21 -1.68 0.39 115.58 120.48 1nee h ASN 89 Ca -0.09 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.44 1nee h ASN 89 Cb 0.67 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1nee h ASN 89 CO 0.15 0.33 -0.34 -0.33 -1.29 0.00 0.00 177.43 175.94 1nee h GLU 90 N 0.68 -0.87 0.17 0.81 5.08 -1.42 0.10 114.58 119.13 1nee h GLU 90 Ca 0.35 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1nee h GLU 90 Cb 0.32 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1nee h GLU 90 CO -0.24 -0.58 -0.08 0.00 -1.00 0.00 0.00 179.01 177.11 1nee h ARG 91 N -0.90 -0.21 0.14 2.33 2.47 -1.18 -1.98 114.38 115.04 1nee h ARG 91 Ca -0.08 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1nee h ARG 91 Cb 0.71 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.04 1nee h ARG 91 CO 0.11 -0.10 -0.40 0.82 0.56 0.00 0.00 179.97 180.96 1nee h ILE 92 N -0.28 0.18 -1.00 2.04 2.04 -0.91 0.67 117.51 120.25 1nee h ILE 92 Ca -0.02 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.13 1nee h ILE 92 Cb 0.22 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 1nee h ILE 92 CO 0.04 0.00 0.72 -0.08 0.00 0.00 0.00 178.15 178.82 1nee h GLU 93 N -0.65 0.03 -0.00 2.37 4.81 -0.74 0.88 114.58 121.28 1nee h GLU 93 Ca 0.02 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1nee h GLU 93 Cb 0.67 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1nee h GLU 93 CO -0.22 0.02 -0.73 0.22 -0.73 0.00 0.00 179.01 177.57 1nee h ASP 94 N 0.03 0.03 0.00 1.04 3.58 -0.12 -1.38 116.42 119.60 1nee h ASP 94 Ca 0.48 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.87 1nee h ASP 94 Cb 1.88 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.91 1nee h ASP 94 CO -0.03 0.74 -0.48 0.22 -2.88 0.00 0.00 179.24 176.82 1nee h TYR 95 N 0.01 0.00 -0.50 0.28 3.20 0.18 -2.96 116.97 117.19 1nee h TYR 95 Ca -0.01 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1nee h TYR 95 Cb 1.28 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 1nee h TYR 95 CO 0.00 0.41 0.31 -0.24 -1.64 0.00 0.00 178.16 176.99 1nee h VAL 96 N -1.00 1.07 -1.86 1.81 3.04 -0.44 -3.02 116.25 115.85 1nee h VAL 96 Ca -0.07 -0.21 -0.68 0.00 -1.01 0.00 0.00 66.70 64.73 1nee h VAL 96 Cb 0.59 0.41 -0.35 0.00 -2.01 0.00 0.00 31.29 29.93 1nee h VAL 96 CO -0.04 0.11 0.13 0.59 -1.01 0.00 0.00 177.57 177.35 1nee n ASN 97 N -4.79 6.02 0.11 3.17 4.13 -0.52 -4.70 115.26 118.68 1nee n ASN 97 Ca 0.03 -3.76 0.13 0.00 1.68 0.00 0.00 54.58 52.66 1nee n ASN 97 Cb 0.06 -0.77 0.38 0.00 -1.54 0.00 0.00 39.78 37.90 1nee n ASN 97 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1nee h LYS 98 N 2.95 0.00 0.01 3.52 2.10 -1.38 -2.30 116.57 121.47 1nee h LYS 98 Ca 0.41 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.02 1nee h LYS 98 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1nee h LYS 98 CO 1.10 0.00 -0.13 0.27 -2.00 0.00 0.00 179.45 178.69 1nee h PHE 99 N 0.00 0.11 0.00 0.07 -0.00 -1.86 0.87 116.94 116.13 1nee h PHE 99 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.97 57.90 1nee h PHE 99 Cb 0.76 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.70 1nee h PHE 99 CO 0.00 0.94 -0.21 -0.24 -0.00 0.00 0.00 178.31 178.80 1nee h VAL 100 N -0.75 0.00 0.00 0.88 3.04 -1.95 0.47 116.25 117.95 1nee h VAL 100 Ca -0.02 -0.72 -0.41 0.00 -1.01 0.00 0.00 66.70 64.53 1nee h VAL 100 Cb 0.98 1.60 -0.06 0.00 -2.01 0.00 0.00 31.29 31.80 1nee h VAL 100 CO 0.02 0.00 -2.30 -0.38 -1.01 0.00 0.00 177.57 173.90 1nee n ILE 101 N -2.58 1.53 1.29 3.17 2.08 -0.86 -4.37 119.36 119.62 1nee n ILE 101 Ca 0.04 -0.36 0.05 0.00 0.56 0.00 0.00 62.75 63.04 1nee n ILE 101 Cb 0.48 -1.84 0.17 0.00 -0.75 0.00 0.00 39.64 37.69 1nee n ILE 101 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nee n HIS 103 N 0.14 -2.19 -3.45 0.00 8.25 -0.96 -3.52 115.22 113.49 1nee n HIS 103 Ca 0.09 0.91 -0.25 0.00 -0.26 0.00 0.00 57.72 58.22 1nee n HIS 103 Cb 0.21 -4.78 0.02 0.00 1.12 0.00 0.00 29.99 26.55 1nee n HIS 103 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1nee n GLU 104 N -4.32 -1.79 -0.63 -0.41 4.07 0.16 -4.71 120.64 113.01 1nee n GLU 104 Ca -0.24 1.32 -0.13 0.00 -0.06 0.00 0.00 57.16 58.05 1nee n GLU 104 Cb 0.65 -3.14 -0.06 0.00 -0.06 0.00 0.00 31.44 28.83 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nee n ASN 106 N 3.42 0.00 -3.27 0.00 4.05 -1.26 -4.67 115.26 113.52 1nee n ASN 106 Ca 0.33 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 55.00 1nee n ASN 106 Cb 0.33 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.34 1nee n ASN 106 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1nee n ARG 107 N 0.00 4.35 -1.62 1.20 1.74 -1.26 -4.55 116.66 116.52 1nee n ARG 107 Ca 0.00 -4.62 -0.43 0.00 -0.77 0.00 0.00 57.85 52.04 1nee n ARG 107 Cb 0.00 -2.36 -0.00 0.00 -1.02 0.00 0.00 32.46 29.08 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1nee n PRO 108 N -0.19 1.51 0.00 5.56 -0.02 -1.26 -4.83 135.00 135.76 1nee n PRO 108 Ca 0.42 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1nee n PRO 108 Cb 0.32 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1nee n PRO 108 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1nee n ASP 109 N 0.83 0.81 -4.82 2.55 5.75 -1.26 -4.80 116.55 115.61 1nee n ASP 109 Ca 0.08 -1.90 -0.29 0.00 -0.01 0.00 0.00 54.79 52.67 1nee n ASP 109 Cb 0.36 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.00 1nee n ASP 109 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1nee s THR 110 N -1.15 1.50 -0.47 2.12 2.01 -1.26 -5.09 115.64 113.30 1nee s THR 110 Ca 0.00 -1.75 -0.23 0.00 0.31 0.00 0.00 61.69 60.02 1nee s THR 110 Cb 0.00 -2.25 0.03 0.00 0.01 0.00 0.00 72.50 70.29 1nee s THR 110 CO 0.00 0.00 0.82 -0.60 -0.69 0.00 0.00 174.62 174.15 1nee s ARG 111 N -4.05 3.39 -0.01 4.92 3.52 -1.26 -5.04 118.95 120.42 1nee s ARG 111 Ca 0.22 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 1nee s ARG 111 Cb 0.00 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.39 1nee s ARG 111 CO 0.13 -1.20 0.04 0.42 -0.81 0.00 0.00 175.30 173.88 1nee s ILE 112 N 3.42 4.47 -0.06 4.11 1.09 -1.26 -4.84 121.20 128.13 1nee s ILE 112 Ca 0.30 -0.48 -0.03 0.00 -1.10 0.00 0.00 60.65 59.34 1nee s ILE 112 Cb -0.12 -3.02 0.04 0.00 -1.06 0.00 0.00 42.46 38.30 1nee s ILE 112 CO 0.22 0.37 0.14 0.27 -0.10 0.00 0.00 174.94 175.84 1nee s ILE 113 N -1.13 -0.05 -0.11 2.92 -4.36 -1.26 -5.00 121.20 112.20 1nee s ILE 113 Ca 0.21 0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.79 1nee s ILE 113 Cb -0.12 -0.23 0.02 0.00 1.25 0.00 0.00 42.46 43.38 1nee s ILE 113 CO 0.12 0.08 -0.11 -0.60 0.24 0.00 0.00 174.94 174.66 1nee s ARG 114 N 1.18 1.88 -0.04 0.37 3.52 -1.26 -2.10 118.95 122.49 1nee s ARG 114 Ca -0.09 -0.41 0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1nee s ARG 114 Cb -0.12 -1.74 -0.01 0.00 -1.56 0.00 0.00 34.95 31.53 1nee s ARG 114 CO -0.06 -0.17 -0.19 -1.83 -0.81 0.00 0.00 175.30 172.25 1nee s GLU 115 N 1.33 1.86 0.00 5.12 -1.05 0.23 -4.76 118.70 121.43 1nee s GLU 115 Ca -0.01 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 1nee s GLU 115 Cb -0.14 -1.63 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 1nee s GLU 115 CO -0.05 0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.85 1nee n GLY 116 N 3.04 1.27 3.27 -3.83 0.00 -1.26 -1.77 105.19 105.92 1nee n GLY 116 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1nee n GLY 116 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nee n ARG 117 N -1.50 -1.41 -2.71 1.61 0.63 -1.26 -3.92 116.66 108.09 1nee n ARG 117 Ca 0.00 1.24 -0.10 0.00 -0.92 0.00 0.00 57.85 58.07 1nee n ARG 117 Cb 0.00 -4.88 0.05 0.00 0.45 0.00 0.00 32.46 28.08 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1nee n ILE 118 N -2.17 -6.65 0.00 5.15 5.41 -1.26 -4.96 119.36 114.87 1nee n ILE 118 Ca -0.08 -0.93 0.00 0.00 1.00 0.00 0.00 62.75 62.73 1nee n ILE 118 Cb 0.56 -5.44 0.00 0.00 -0.71 0.00 0.00 39.64 34.05 1nee n ILE 118 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1nee n SER 119 N -2.69 0.00 -4.23 4.38 3.41 -1.25 -4.56 113.62 108.68 1nee n SER 119 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.33 1nee n SER 119 Cb 0.58 0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.45 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nee s LEU 120 N -4.09 2.23 -0.07 1.04 1.02 -0.73 -5.01 118.68 113.07 1nee s LEU 120 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 54.13 53.26 1nee s LEU 120 Cb 0.00 -0.80 0.12 0.00 0.02 0.00 0.00 46.19 45.53 1nee s LEU 120 CO 0.00 0.06 1.08 -0.22 0.02 0.00 0.00 176.35 177.29 1nee s LEU 121 N -1.50 -0.21 -0.09 1.79 0.20 0.40 -0.60 118.68 118.67 1nee s LEU 121 Ca 0.04 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.82 1nee s LEU 121 Cb -0.09 1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 47.33 1nee s LEU 121 CO 0.03 -0.45 -0.11 -0.54 -0.29 0.00 0.00 176.35 174.99 1nee s LYS 122 N -2.76 2.91 -0.29 1.98 1.02 -0.89 -1.56 119.74 120.15 1nee s LYS 122 Ca 0.09 -0.64 0.15 0.00 0.02 0.00 0.00 55.97 55.59 1nee s LYS 122 Cb -0.00 -2.54 0.48 0.00 -0.52 0.00 0.00 37.83 35.24 1nee s LYS 122 CO -0.05 0.49 1.13 0.00 -0.92 0.00 0.00 175.35 175.99 1nee h GLU 124 N 2.48 0.19 0.00 0.00 4.11 -1.88 -2.27 114.58 117.20 1nee h GLU 124 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1nee h GLU 124 Cb 1.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1nee h GLU 124 CO 0.47 0.12 0.00 0.00 0.07 0.00 0.00 179.01 179.68 1nee n ALA 125 N -2.51 -0.15 -0.97 1.06 0.00 -1.26 -3.74 120.51 112.93 1nee n ALA 125 Ca 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1nee n ALA 125 Cb 1.22 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.55 1nee n ALA 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nee n GLY 127 N 2.82 0.61 3.28 0.00 0.00 -0.89 -4.91 105.19 106.11 1nee n GLY 127 Ca 0.47 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1nee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nee s ALA 128 N -2.00 -0.87 0.03 4.61 0.00 -1.05 -3.72 121.76 118.75 1nee s ALA 128 Ca 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 1nee s ALA 128 Cb 0.00 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.40 1nee s ALA 128 CO 0.00 -0.38 0.41 0.21 0.00 0.00 0.00 175.76 175.99 1nee s LYS 129 N -2.12 0.88 -0.62 0.00 2.47 -1.26 -4.54 119.74 114.54 1nee s LYS 129 Ca -0.08 -0.30 -0.25 0.00 -1.56 0.00 0.00 55.97 53.78 1nee s LYS 129 Cb -0.02 0.39 0.04 0.00 -1.46 0.00 0.00 37.83 36.79 1nee s LYS 129 CO -0.00 -0.29 1.07 0.00 0.16 0.00 0.00 175.35 176.28 1nee s ALA 130 N -2.20 3.03 -0.04 3.13 0.00 -0.60 -4.35 121.76 120.73 1nee s ALA 130 Ca -0.07 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.31 1nee s ALA 130 Cb -0.01 -3.94 -0.19 0.00 0.00 0.00 0.00 23.12 18.98 1nee s ALA 130 CO -0.00 -2.73 1.07 -1.00 0.00 0.00 0.00 175.76 173.09 1nee h PRO 131 N 9.57 -0.12 0.00 0.00 0.13 -1.85 0.11 132.00 139.85 1nee h PRO 131 Ca -0.27 0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1nee h PRO 131 Cb 1.06 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1nee h PRO 131 CO 1.17 0.38 -0.05 1.47 -0.23 0.00 0.00 178.00 180.73 1nee n LEU 132 N -4.89 0.00 -4.72 1.56 -0.00 -1.26 -4.09 117.00 103.60 1nee n LEU 132 Ca -0.08 -1.91 -0.42 0.00 -0.00 0.00 0.00 56.01 53.60 1nee n LEU 132 Cb 0.28 1.86 -0.03 0.00 -0.00 0.00 0.00 43.42 45.53 1nee n LEU 132 CO 0.30 -0.47 1.26 -0.54 -0.00 0.00 0.00 177.39 177.95 1nee s LYS 133 N -2.47 4.19 1.07 1.47 -0.14 -1.26 -5.00 119.74 117.60 1nee s LYS 133 Ca 0.18 2.44 -0.18 0.00 -1.36 0.00 0.00 55.97 57.06 1nee s LYS 133 Cb -0.01 -3.12 0.24 0.00 -1.68 0.00 0.00 37.83 33.26 1nee s LYS 133 CO 0.13 -0.64 1.25 -0.80 -0.76 0.00 0.00 175.35 174.53 1nee s ASN 134 N 1.06 2.18 0.00 2.83 0.01 -1.26 -5.27 114.94 114.49 1nee s ASN 134 Ca 0.70 0.37 0.00 0.00 -0.71 0.00 0.00 52.86 53.23 1nee s ASN 134 Cb -0.46 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 40.74 1nee s ASN 134 CO 0.33 -3.32 0.49 0.52 -1.51 0.00 0.00 177.10 173.61