#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 2.54 0.66 6.12 2.15 -1.26 -5.13 116.67 121.75 1nee s ASP 2 Ca 0.00 -0.41 -0.15 0.00 0.43 0.00 0.00 52.55 52.42 1nee s ASP 2 Cb 0.00 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 1nee s ASP 2 CO 0.00 0.25 1.13 -1.81 -0.17 0.00 0.00 175.17 174.57 1nee s ASP 3 N -0.59 5.01 1.18 -0.34 1.11 -1.26 -5.00 116.67 116.77 1nee s ASP 3 Ca 0.08 2.07 -0.14 0.00 0.18 0.00 0.00 52.55 54.74 1nee s ASP 3 Cb -0.08 -2.56 0.26 0.00 1.07 0.00 0.00 42.92 41.61 1nee s ASP 3 CO -0.00 -1.70 0.82 -1.22 1.18 0.00 0.00 175.17 174.24 1nee n TYR 4 N -2.39 -1.36 -2.12 4.23 4.01 -1.26 -4.83 117.16 113.45 1nee n TYR 4 Ca 0.11 -0.12 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1nee n TYR 4 Cb 0.52 -1.67 -0.03 0.00 -0.31 0.00 0.00 39.34 37.85 1nee n TYR 4 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1nee s GLU 5 N -4.21 2.72 0.35 -0.72 2.02 -1.26 -4.96 118.70 112.64 1nee s GLU 5 Ca 0.66 0.37 -0.28 0.00 0.02 0.00 0.00 54.97 55.74 1nee s GLU 5 Cb -0.23 -4.44 -0.11 0.00 0.10 0.00 0.00 34.13 29.45 1nee s GLU 5 CO 0.66 -2.71 1.39 0.21 0.02 0.00 0.00 175.26 174.83 1nee s LYS 6 N 6.82 4.24 -1.29 1.61 2.20 -1.26 -4.92 119.74 127.14 1nee s LYS 6 Ca 0.62 2.38 -0.09 0.00 -0.36 0.00 0.00 55.97 58.52 1nee s LYS 6 Cb -0.11 -3.03 0.16 0.00 -1.51 0.00 0.00 37.83 33.34 1nee s LYS 6 CO 0.17 -0.35 1.94 1.28 -0.36 0.00 0.00 175.35 178.04 1nee n LEU 7 N 0.69 6.82 -4.99 5.43 4.77 -1.26 -4.94 117.00 123.52 1nee n LEU 7 Ca 0.01 -4.66 -0.21 0.00 -0.03 0.00 0.00 56.01 51.11 1nee n LEU 7 Cb 0.41 -1.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.09 1nee n LEU 7 CO 0.61 1.45 0.41 -0.76 -1.33 0.00 0.00 177.39 177.77 1nee s LEU 8 N -0.30 3.19 0.00 2.23 1.02 -1.26 -5.06 118.68 118.50 1nee s LEU 8 Ca 0.41 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.29 1nee s LEU 8 Cb 0.11 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.91 1nee s LEU 8 CO -0.01 -1.37 0.00 -0.62 0.02 0.00 0.00 176.35 174.37 1nee n GLU 9 N -2.45 0.00 -4.37 1.70 1.02 -1.26 -4.95 120.64 110.32 1nee n GLU 9 Ca 0.11 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.91 1nee n GLU 9 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.92 1nee n GLU 9 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1nee s ARG 10 N 0.00 3.21 -1.47 3.49 3.52 -1.26 -4.48 118.95 121.96 1nee s ARG 10 Ca 0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1nee s ARG 10 Cb 0.00 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1nee s ARG 10 CO 0.00 0.55 0.00 0.00 -0.81 0.00 0.00 175.30 175.04 1nee n ALA 11 N 2.59 -0.69 -2.00 6.12 0.00 -1.26 -4.91 120.51 120.37 1nee n ALA 11 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1nee n ALA 11 Cb 0.53 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1nee n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nee n ILE 12 N -3.74 0.00 0.02 0.00 5.41 -1.26 -4.88 119.36 114.91 1nee n ILE 12 Ca -0.20 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.52 1nee n ILE 12 Cb 0.65 -0.08 -0.01 0.00 -0.71 0.00 0.00 39.64 39.50 1nee n ILE 12 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1nee h ASP 13 N 0.00 -0.13 0.00 4.38 3.32 -1.91 -3.47 116.42 118.61 1nee h ASP 13 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nee h ASP 13 Cb 0.00 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1nee h ASP 13 CO 0.00 0.32 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 1nee n GLN 14 N -4.74 1.16 -1.20 3.56 3.00 -1.26 -4.84 117.38 113.05 1nee n GLN 14 Ca -0.02 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.12 1nee n GLN 14 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.23 1nee n GLN 14 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1nee n LEU 15 N 0.00 -0.83 -4.48 1.08 7.99 -1.26 -4.56 117.00 114.93 1nee n LEU 15 Ca 0.00 1.94 -0.43 0.00 -0.01 0.00 0.00 56.01 57.50 1nee n LEU 15 Cb 0.00 -2.87 -0.09 0.00 -0.11 0.00 0.00 43.42 40.35 1nee n LEU 15 CO 0.00 -1.96 2.02 -0.81 -1.51 0.00 0.00 177.39 175.13 1nee n PRO 16 N -3.96 0.61 0.00 3.23 -0.04 -1.26 -4.93 135.00 128.65 1nee n PRO 16 Ca -0.07 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1nee n PRO 16 Cb 0.57 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 8.51 0.35 0.00 0.54 -0.04 -1.26 -4.16 135.00 138.93 1nee n PRO 17 Ca 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1nee n PRO 17 Cb 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1nee n PRO 17 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nee n GLU 18 N -0.44 0.00 -3.26 0.54 2.13 -1.26 -4.96 120.64 113.39 1nee n GLU 18 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 1nee n GLU 18 Cb 0.00 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.14 1nee n GLU 18 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1nee s VAL 19 N -1.47 5.11 -0.02 6.31 1.01 -1.26 -5.07 120.40 125.02 1nee s VAL 19 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 62.89 1nee s VAL 19 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1nee s VAL 19 CO 0.00 0.17 0.07 0.72 0.00 0.00 0.00 175.10 176.06 1nee s PHE 20 N 1.69 3.27 0.08 5.22 -0.12 -1.26 -4.98 117.98 121.88 1nee s PHE 20 Ca 0.23 0.21 -0.08 0.00 -0.05 0.00 0.00 56.93 57.25 1nee s PHE 20 Cb -0.15 -1.75 0.03 0.00 -0.63 0.00 0.00 43.02 40.52 1nee s PHE 20 CO 0.09 0.54 0.37 0.39 -0.05 0.00 0.00 175.22 176.57 1nee n GLU 21 N 1.36 0.26 -2.78 1.99 1.02 -1.26 -5.10 120.64 116.13 1nee n GLU 21 Ca -0.14 -0.58 -0.43 0.00 -0.02 0.00 0.00 57.16 55.99 1nee n GLU 21 Cb 0.53 0.78 -0.03 0.00 -0.02 0.00 0.00 31.44 32.69 1nee n GLU 21 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1nee s THR 22 N -2.42 4.21 -0.90 2.62 -1.32 -1.26 -4.97 115.64 111.59 1nee s THR 22 Ca 0.08 -0.31 -0.18 0.00 -1.21 0.00 0.00 61.69 60.07 1nee s THR 22 Cb -0.01 -4.76 0.14 0.00 -1.51 0.00 0.00 72.50 66.36 1nee s THR 22 CO 0.02 -1.57 1.06 -1.59 -2.21 0.00 0.00 174.62 170.33 1nee s LYS 23 N 4.36 3.58 -0.39 7.08 -2.85 -1.26 -4.87 119.74 125.39 1nee s LYS 23 Ca 0.27 -1.84 -0.00 0.00 -1.00 0.00 0.00 55.97 53.39 1nee s LYS 23 Cb -0.13 -4.82 0.34 0.00 -2.06 0.00 0.00 37.83 31.16 1nee s LYS 23 CO 0.09 -1.70 1.89 0.54 0.10 0.00 0.00 175.35 176.27 1nee n ARG 24 N 6.17 2.01 -1.15 1.78 1.74 -1.26 -4.97 116.66 120.98 1nee n ARG 24 Ca 0.21 -2.08 -0.30 0.00 -0.77 0.00 0.00 57.85 54.91 1nee n ARG 24 Cb 0.49 -1.81 0.13 0.00 -1.02 0.00 0.00 32.46 30.24 1nee n ARG 24 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1nee s PHE 25 N -2.38 2.29 -0.25 -1.55 -0.12 -1.26 -5.06 117.98 109.65 1nee s PHE 25 Ca 0.41 1.39 -0.02 0.00 -0.05 0.00 0.00 56.93 58.66 1nee s PHE 25 Cb 0.32 -3.14 0.14 0.00 -0.63 0.00 0.00 43.02 39.72 1nee s PHE 25 CO 0.02 -2.32 0.40 -1.21 -0.05 0.00 0.00 175.22 172.07 1nee s GLU 26 N -4.88 0.38 -0.32 1.99 2.02 -1.26 -5.04 118.70 111.59 1nee s GLU 26 Ca 0.63 0.56 0.02 0.00 0.02 0.00 0.00 54.97 56.20 1nee s GLU 26 Cb -0.18 -0.35 0.16 0.00 0.10 0.00 0.00 34.13 33.85 1nee s GLU 26 CO 0.57 -0.67 0.40 0.08 0.02 0.00 0.00 175.26 175.66 1nee s VAL 27 N 2.58 -0.56 0.26 2.63 1.01 -1.26 -5.03 120.40 120.04 1nee s VAL 27 Ca 0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1nee s VAL 27 Cb -0.15 -0.85 0.25 0.00 0.00 0.00 0.00 36.38 35.63 1nee s VAL 27 CO -0.17 -0.36 1.78 -0.65 0.00 0.00 0.00 175.10 175.69 1nee h PRO 28 N 7.84 0.68 -5.98 2.72 0.11 -2.04 -3.36 132.00 131.98 1nee h PRO 28 Ca -0.05 -0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.55 1nee h PRO 28 Cb 1.10 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.01 1nee h PRO 28 CO 0.25 0.45 1.17 0.21 -0.21 0.00 0.00 178.00 179.87 1nee s LYS 29 N -5.97 2.76 -0.25 1.05 2.36 -1.26 -4.54 119.74 113.90 1nee s LYS 29 Ca -0.12 0.14 0.06 0.00 -2.55 0.00 0.00 55.97 53.50 1nee s LYS 29 Cb 0.22 -4.59 0.22 0.00 -1.05 0.00 0.00 37.83 32.62 1nee s LYS 29 CO 0.78 -2.76 1.11 0.00 1.55 0.00 0.00 175.35 176.03 1nee n ALA 30 N 12.25 0.10 -3.12 3.13 0.00 -1.26 -5.09 120.51 126.53 1nee n ALA 30 Ca 0.23 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1nee n ALA 30 Cb 0.50 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 1nee n ALA 30 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1nee s TYR 31 N 0.08 0.71 0.94 0.00 1.13 -1.26 -4.23 117.35 114.73 1nee s TYR 31 Ca 0.07 -1.06 -0.14 0.00 -1.41 0.00 0.00 57.07 54.54 1nee s TYR 31 Cb 0.23 0.15 0.20 0.00 -1.10 0.00 0.00 41.96 41.44 1nee s TYR 31 CO -0.06 -1.17 1.29 0.45 -2.51 0.00 0.00 175.55 173.54 1nee s SER 32 N -3.15 3.14 0.08 -0.18 0.15 -1.26 -4.77 113.70 107.70 1nee s SER 32 Ca 0.26 0.08 0.05 0.00 0.70 0.00 0.00 55.95 57.03 1nee s SER 32 Cb -0.01 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1nee s SER 32 CO 0.16 -2.70 -0.13 -0.69 1.20 0.00 0.00 173.24 171.07 1nee s VAL 33 N -3.81 1.10 0.12 4.45 1.01 -1.11 -4.93 120.40 117.24 1nee s VAL 33 Ca 0.74 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1nee s VAL 33 Cb -0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1nee s VAL 33 CO 0.52 -0.30 0.28 -0.63 0.00 0.00 0.00 175.10 174.97 1nee s ILE 34 N -1.56 5.31 -0.33 2.22 1.09 -1.26 0.13 121.20 126.81 1nee s ILE 34 Ca 0.00 -0.42 0.04 0.00 -1.10 0.00 0.00 60.65 59.17 1nee s ILE 34 Cb -0.08 -3.68 0.17 0.00 -1.06 0.00 0.00 42.46 37.81 1nee s ILE 34 CO 0.02 0.01 0.46 -1.10 -0.10 0.00 0.00 174.94 174.23 1nee s GLN 35 N -2.87 0.56 0.00 2.79 -0.21 0.40 -4.87 119.66 115.46 1nee s GLN 35 Ca 0.36 -0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.61 1nee s GLN 35 Cb -0.12 -0.26 0.00 0.00 1.00 0.00 0.00 33.01 33.63 1nee s GLN 35 CO 0.28 -1.10 0.00 0.41 -2.12 0.00 0.00 175.29 172.75 1nee n GLY 36 N 4.93 0.63 0.88 3.09 0.00 -1.26 -1.51 105.19 111.95 1nee n GLY 36 Ca 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1nee n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nee n ASN 37 N 1.68 -0.23 -4.09 1.61 4.13 -1.26 -5.13 115.26 111.97 1nee n ASN 37 Ca 0.00 -1.71 -0.08 0.00 1.68 0.00 0.00 54.58 54.46 1nee n ASN 37 Cb 0.00 0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.18 1nee n ASN 37 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1nee s ARG 38 N 0.00 0.61 -0.19 3.52 1.70 -0.57 -3.63 118.95 120.38 1nee s ARG 38 Ca 0.06 -1.13 -0.06 0.00 -0.47 0.00 0.00 55.73 54.12 1nee s ARG 38 Cb 0.07 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 1nee s ARG 38 CO -0.03 -0.08 0.04 -0.08 -1.08 0.00 0.00 175.30 174.07 1nee s THR 39 N -3.38 4.43 -0.99 4.99 -1.32 -0.52 -0.45 115.64 118.39 1nee s THR 39 Ca 0.04 -0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.25 1nee s THR 39 Cb 0.04 -3.01 0.25 0.00 -1.51 0.00 0.00 72.50 68.27 1nee s THR 39 CO -0.07 0.43 0.98 0.12 -2.21 0.00 0.00 174.62 173.87 1nee s PHE 40 N 0.72 4.01 -0.19 9.09 5.36 0.36 -0.92 117.98 136.41 1nee s PHE 40 Ca 0.02 -2.35 -0.26 0.00 -0.96 0.00 0.00 56.93 53.38 1nee s PHE 40 Cb -0.14 -3.86 -0.01 0.00 -0.34 0.00 0.00 43.02 38.68 1nee s PHE 40 CO 0.02 -1.00 0.90 -1.50 -1.46 0.00 0.00 175.22 172.18 1nee s ILE 41 N -0.47 4.81 -0.02 3.12 2.07 -0.98 -2.73 121.20 127.00 1nee s ILE 41 Ca 0.26 1.75 0.01 0.00 -1.41 0.00 0.00 60.65 61.26 1nee s ILE 41 Cb -0.10 -4.19 -0.02 0.00 0.13 0.00 0.00 42.46 38.28 1nee s ILE 41 CO -0.08 -0.05 0.00 0.00 -1.91 0.00 0.00 174.94 172.90 1nee n GLN 42 N 5.64 2.89 -1.85 3.50 10.64 -1.26 -2.41 117.38 134.52 1nee n GLN 42 Ca 0.07 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.90 1nee n GLN 42 Cb 0.48 -1.05 0.04 0.00 -0.86 0.00 0.00 30.24 28.85 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 -2.18 6.77 0.15 2.61 3.02 -1.26 -4.76 115.26 119.62 1nee n ASN 43 Ca -0.03 -3.79 0.15 0.00 -0.03 0.00 0.00 54.58 50.88 1nee n ASN 43 Cb 0.56 -0.84 0.50 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.51 0.00 0.21 3.10 -0.00 -1.96 0.55 116.94 121.34 1nee h PHE 44 Ca 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.47 1nee h PHE 44 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.57 1nee h PHE 44 CO 1.16 0.00 -0.10 -0.09 -0.00 0.00 0.00 178.31 179.28 1nee h ARG 45 N 0.00 -0.27 -0.28 6.09 9.65 -1.98 -1.59 114.38 125.99 1nee h ARG 45 Ca 0.16 0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.95 1nee h ARG 45 Cb 1.63 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 30.27 1nee h ARG 45 CO -0.00 -0.12 -0.24 1.49 2.80 0.00 0.00 179.97 183.89 1nee h GLU 46 N -1.06 0.65 -0.70 0.20 4.81 -1.54 -2.52 114.58 114.43 1nee h GLU 46 Ca -0.03 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1nee h GLU 46 Cb 0.27 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1nee h GLU 46 CO 0.05 0.94 0.32 0.28 -0.73 0.00 0.00 179.01 179.86 1nee h VAL 47 N 0.39 1.24 -0.21 0.32 2.07 -0.14 -2.61 116.25 117.31 1nee h VAL 47 Ca 0.05 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1nee h VAL 47 Cb 0.80 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1nee h VAL 47 CO 0.06 0.29 0.12 0.00 0.02 0.00 0.00 177.57 178.06 1nee h ALA 48 N 1.15 0.27 0.18 1.67 0.00 -1.24 -0.84 119.26 120.45 1nee h ALA 48 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1nee h ALA 48 Cb 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nee h ALA 48 CO -0.03 -0.22 -0.15 0.22 0.00 0.00 0.00 179.25 179.08 1nee h ASP 49 N 0.25 -0.39 -0.65 0.00 1.82 -1.27 0.25 116.42 116.43 1nee h ASP 49 Ca 0.08 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.86 1nee h ASP 49 Cb 0.03 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 40.08 1nee h ASP 49 CO -0.01 -0.20 0.19 0.00 -1.61 0.00 0.00 179.24 177.60 1nee h ALA 50 N -1.57 0.82 0.00 -0.78 0.00 -1.52 0.32 119.26 116.54 1nee h ALA 50 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nee h ALA 50 Cb 0.26 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nee h ALA 50 CO -0.00 -0.27 0.00 1.25 0.00 0.00 0.00 179.25 180.23 1nee h LEU 51 N 0.32 0.00 0.00 0.00 5.85 -1.08 -3.30 115.31 117.10 1nee h LEU 51 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1nee h LEU 51 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1nee h LEU 51 CO -0.40 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.29 1nee n ASN 52 N -2.50 0.00 0.11 1.25 4.13 0.90 -4.67 115.26 114.48 1nee n ASN 52 Ca 0.02 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.47 1nee n ASN 52 Cb 0.25 0.00 0.67 0.00 -1.54 0.00 0.00 39.78 39.17 1nee n ASN 52 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 1nee h ARG 53 N 0.00 0.00 -5.50 3.52 0.11 -1.00 -3.35 114.38 108.16 1nee h ARG 53 Ca 0.00 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.48 1nee h ARG 53 Cb 0.00 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 30.97 1nee h ARG 53 CO 0.00 0.00 -0.07 0.34 0.10 0.00 0.00 179.97 180.34 1nee s ASP 54 N -4.67 6.53 0.22 0.08 -1.08 -1.26 -4.85 116.67 111.64 1nee s ASP 54 Ca -0.04 0.63 0.04 0.00 -0.52 0.00 0.00 52.55 52.66 1nee s ASP 54 Cb 0.13 -2.28 0.19 0.00 -1.46 0.00 0.00 42.92 39.50 1nee s ASP 54 CO 0.45 -0.16 1.52 1.55 0.52 0.00 0.00 175.17 179.04 1nee h PRO 55 N 7.47 0.24 -0.54 4.34 0.13 -1.92 -3.01 132.00 138.71 1nee h PRO 55 Ca -0.34 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1nee h PRO 55 Cb 1.16 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1nee h PRO 55 CO 0.73 0.82 0.35 0.37 -0.23 0.00 0.00 178.00 180.04 1nee h GLN 56 N 0.17 0.71 0.18 0.86 -0.00 -1.93 -2.34 115.11 112.76 1nee h GLN 56 Ca -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1nee h GLN 56 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.52 1nee h GLN 56 CO 0.10 0.47 -0.09 1.25 0.00 0.00 0.00 178.83 180.57 1nee h HIS 57 N 0.73 -0.23 -0.91 3.99 2.76 -1.93 -2.65 115.15 116.91 1nee h HIS 57 Ca 0.20 -0.01 0.23 0.00 -2.20 0.00 0.00 60.37 58.59 1nee h HIS 57 Cb -0.08 0.07 -0.17 0.00 1.55 0.00 0.00 27.41 28.79 1nee h HIS 57 CO 0.00 0.04 0.01 1.25 -1.30 0.00 0.00 177.93 177.93 1nee h LEU 58 N -1.01 -0.45 -0.18 0.26 6.46 -1.46 0.35 115.31 119.28 1nee h LEU 58 Ca -0.02 0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 1nee h LEU 58 Cb 0.37 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1nee h LEU 58 CO 0.04 -0.29 -0.00 0.25 -0.62 0.00 0.00 178.44 177.82 1nee h LEU 59 N 0.05 0.31 -1.10 2.25 6.46 -1.53 -0.73 115.31 121.03 1nee h LEU 59 Ca 0.53 -0.31 0.10 0.00 -0.12 0.00 0.00 57.88 58.07 1nee h LEU 59 Cb 1.03 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.80 1nee h LEU 59 CO -0.84 0.55 0.61 0.11 -0.62 0.00 0.00 178.44 178.26 1nee h LYS 60 N 0.07 0.96 -0.08 1.25 1.79 -0.10 -1.17 116.57 119.29 1nee h LYS 60 Ca 0.05 -0.06 -0.19 0.00 -2.18 0.00 0.00 60.65 58.27 1nee h LYS 60 Cb 0.39 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1nee h LYS 60 CO 0.01 0.63 -0.75 0.74 -1.08 0.00 0.00 179.45 179.00 1nee h PHE 61 N 0.99 0.60 0.74 -1.35 0.04 -0.48 -1.87 116.94 115.59 1nee h PHE 61 Ca 0.44 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 1nee h PHE 61 Cb 0.38 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1nee h PHE 61 CO -0.00 1.04 -0.50 1.25 -0.60 0.00 0.00 178.31 179.50 1nee h LEU 62 N 0.30 -1.28 -1.40 1.54 5.85 0.07 -1.05 115.31 119.33 1nee h LEU 62 Ca -0.04 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1nee h LEU 62 Cb 1.34 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 1nee h LEU 62 CO 0.13 -0.74 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.16 1nee h LEU 63 N -1.17 0.04 -1.68 2.25 -0.00 -1.47 0.28 115.31 113.57 1nee h LEU 63 Ca -0.10 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.74 1nee h LEU 63 Cb 0.95 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.59 1nee h LEU 63 CO 0.07 0.32 -0.16 0.03 -0.00 0.00 0.00 178.44 178.69 1nee h ARG 64 N 0.04 0.00 0.00 1.13 2.47 -1.01 -2.78 114.38 114.24 1nee h ARG 64 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1nee h ARG 64 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1nee h ARG 64 CO 0.04 0.16 -0.66 -1.91 0.56 0.00 0.00 179.97 178.16 1nee n GLU 65 N -3.59 2.84 -2.43 0.04 2.13 -0.43 -4.87 120.64 114.33 1nee n GLU 65 Ca -0.01 -0.01 -0.37 0.00 0.66 0.00 0.00 57.16 57.42 1nee n GLU 65 Cb 0.30 -1.08 -0.03 0.00 0.27 0.00 0.00 31.44 30.89 1nee n GLU 65 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1nee s LEU 66 N -2.69 3.42 0.03 4.31 1.02 0.91 -2.42 118.68 123.27 1nee s LEU 66 Ca 0.04 -1.29 0.24 0.00 0.02 0.00 0.00 54.13 53.13 1nee s LEU 66 Cb 0.09 -2.57 0.99 0.00 0.02 0.00 0.00 46.19 44.72 1nee s LEU 66 CO 0.49 -1.82 1.75 0.61 0.02 0.00 0.00 176.35 177.39 1nee n GLY 67 N 6.83 -1.34 3.99 -3.19 0.00 -1.26 -4.80 105.19 105.42 1nee n GLY 67 Ca 0.35 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.02 3.25 0.03 2.61 -4.23 -1.25 -5.01 115.64 108.01 1nee s THR 68 Ca 0.11 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1nee s THR 68 Cb 0.15 -3.11 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1nee s THR 68 CO 0.44 -0.04 0.50 0.00 -0.54 0.00 0.00 174.62 174.98 1nee n ALA 69 N -1.76 -0.12 -0.83 3.99 0.00 -1.26 -4.68 120.51 115.85 1nee n ALA 69 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nee n ALA 69 Cb 0.59 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.05 -1.55 3.63 0.00 0.00 -1.09 -4.99 105.19 100.15 1nee n GLY 70 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.39 1nee n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nee s ASN 71 N 0.00 -0.31 -0.50 1.61 0.02 -1.26 -4.89 114.94 109.61 1nee s ASN 71 Ca 0.00 -0.23 -0.26 0.00 -1.02 0.00 0.00 52.86 51.35 1nee s ASN 71 Cb 0.00 0.50 0.03 0.00 0.02 0.00 0.00 41.25 41.80 1nee s ASN 71 CO 0.00 -0.88 1.01 -0.76 0.02 0.00 0.00 177.10 176.49 1nee s LEU 72 N -2.75 3.88 0.09 0.60 1.02 -1.26 -3.06 118.68 117.19 1nee s LEU 72 Ca 0.08 0.09 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1nee s LEU 72 Cb -0.02 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.96 1nee s LEU 72 CO -0.03 -1.18 0.11 -1.61 0.02 0.00 0.00 176.35 173.65 1nee s GLU 73 N 4.09 2.97 0.14 1.70 0.41 0.70 -4.82 118.70 123.89 1nee s GLU 73 Ca 0.39 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 54.26 1nee s GLU 73 Cb -0.10 -2.76 0.00 0.00 -1.78 0.00 0.00 34.13 29.50 1nee s GLU 73 CO 0.26 0.56 0.00 0.41 -0.49 0.00 0.00 175.26 176.00 1nee n GLY 74 N 0.27 -1.57 0.00 -1.39 0.00 -1.26 -2.23 105.19 99.01 1nee n GLY 74 Ca -0.08 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.63 1nee n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nee n GLY 75 N -2.40 -0.91 0.00 -0.02 0.00 -1.26 -4.73 105.19 95.88 1nee n GLY 75 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1nee n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 76 N -1.40 3.72 -3.01 1.61 1.74 -1.26 -5.04 116.66 113.02 1nee n ARG 76 Ca 0.05 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.77 1nee n ARG 76 Cb 0.15 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.57 1nee n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nee n ALA 77 N -3.00 5.05 -2.92 7.54 0.00 -1.01 -4.40 120.51 121.77 1nee n ALA 77 Ca 0.00 -4.74 -0.44 0.00 0.00 0.00 0.00 53.44 48.26 1nee n ALA 77 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 1nee n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nee s ILE 78 N -3.33 4.66 0.11 0.00 1.01 -0.95 -2.31 121.20 120.39 1nee s ILE 78 Ca 0.38 -1.37 -0.01 0.00 0.00 0.00 0.00 60.65 59.65 1nee s ILE 78 Cb 0.14 -4.76 0.02 0.00 0.01 0.00 0.00 42.46 37.87 1nee s ILE 78 CO -0.01 -1.50 0.15 0.00 0.00 0.00 0.00 174.94 173.58 1nee n LEU 79 N 6.75 0.00 -3.64 2.97 -0.00 -0.10 -0.22 117.00 122.77 1nee n LEU 79 Ca 0.19 -0.22 -0.15 0.00 -0.00 0.00 0.00 56.01 55.83 1nee n LEU 79 Cb 0.48 -0.11 -0.14 0.00 -0.00 0.00 0.00 43.42 43.66 1nee n LEU 79 CO 0.53 -0.60 -0.17 -1.58 -0.00 0.00 0.00 177.39 175.57 1nee s GLN 80 N -3.11 0.12 0.00 1.47 0.74 -1.26 -1.44 119.66 116.18 1nee s GLN 80 Ca 0.09 0.61 0.00 0.00 0.05 0.00 0.00 55.36 56.11 1nee s GLN 80 Cb -0.00 -0.28 0.00 0.00 1.10 0.00 0.00 33.01 33.82 1nee s GLN 80 CO 0.06 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 1nee n GLY 81 N 5.34 0.49 0.50 2.59 0.00 -1.24 -2.66 105.19 110.21 1nee n GLY 81 Ca -0.05 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1nee n GLY 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nee n LYS 82 N 0.00 0.00 -0.79 1.61 4.81 -1.01 -4.41 118.16 118.36 1nee n LYS 82 Ca 0.00 -0.84 -0.08 0.00 -0.87 0.00 0.00 58.31 56.52 1nee n LYS 82 Cb 0.00 -0.42 -0.12 0.00 0.02 0.00 0.00 35.03 34.51 1nee n LYS 82 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1nee n PHE 83 N 0.00 0.00 -1.92 5.64 3.01 -1.26 -4.70 117.46 118.23 1nee n PHE 83 Ca 0.00 -1.25 -0.38 0.00 1.01 0.00 0.00 57.45 56.83 1nee n PHE 83 Cb 0.67 -1.23 -0.03 0.00 -0.01 0.00 0.00 39.48 38.87 1nee n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1nee n THR 84 N 2.30 2.70 -3.88 4.37 -1.04 -1.26 -4.26 114.28 113.21 1nee n THR 84 Ca 0.29 -2.63 -0.30 0.00 -2.04 0.00 0.00 64.05 59.37 1nee n THR 84 Cb 0.74 -2.33 -0.04 0.00 -1.82 0.00 0.00 70.33 66.87 1nee n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nee n HIS 85 N 9.65 -1.53 0.00 -1.42 1.44 -1.26 -4.84 115.22 117.26 1nee n HIS 85 Ca 0.48 0.53 0.00 0.00 -2.01 0.00 0.00 57.72 56.73 1nee n HIS 85 Cb 0.44 -2.07 0.00 0.00 0.12 0.00 0.00 29.99 28.48 1nee n HIS 85 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1nee n PHE 86 N -3.79 0.00 -0.04 -1.40 -0.00 -1.26 -4.06 117.46 106.92 1nee n PHE 86 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.36 1nee n PHE 86 Cb 0.48 -0.04 -0.08 0.00 -0.00 0.00 0.00 39.48 39.84 1nee n PHE 86 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1nee h LEU 87 N 0.00 0.57 0.79 -2.13 -0.00 -1.90 -1.86 115.31 110.79 1nee h LEU 87 Ca 0.00 -0.62 -0.04 0.00 -0.00 0.00 0.00 57.88 57.22 1nee h LEU 87 Cb 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 40.50 1nee h LEU 87 CO 0.00 1.10 -0.39 0.40 -0.00 0.00 0.00 178.44 179.54 1nee h ILE 88 N 0.09 0.00 0.10 1.22 2.04 -1.89 -0.48 117.51 118.59 1nee h ILE 88 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1nee h ILE 88 Cb 1.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1nee h ILE 88 CO 0.09 0.00 -0.12 -1.13 0.00 0.00 0.00 178.15 176.99 1nee h ASN 89 N -1.08 -0.32 0.39 1.72 -0.73 -1.70 0.21 115.58 114.07 1nee h ASN 89 Ca -0.11 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.09 1nee h ASN 89 Cb 0.83 0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.52 1nee h ASN 89 CO 0.17 -0.18 -0.32 -0.33 -0.37 0.00 0.00 177.43 176.40 1nee h GLU 90 N -0.25 -0.69 -0.18 6.67 5.08 -1.39 0.15 114.58 123.97 1nee h GLU 90 Ca 0.01 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1nee h GLU 90 Cb 0.25 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1nee h GLU 90 CO -0.05 -0.46 0.10 -0.09 -1.00 0.00 0.00 179.01 177.51 1nee h ARG 91 N -0.72 0.21 0.19 2.33 9.65 -1.06 -1.80 114.38 123.17 1nee h ARG 91 Ca -0.03 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1nee h ARG 91 Cb 0.63 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 1nee h ARG 91 CO -0.02 0.14 -0.33 0.82 2.80 0.00 0.00 179.97 183.37 1nee h ILE 92 N 0.21 0.30 -0.32 1.20 2.04 -0.43 -0.56 117.51 119.95 1nee h ILE 92 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1nee h ILE 92 Cb -0.01 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1nee h ILE 92 CO -0.03 0.00 0.35 -0.08 0.00 0.00 0.00 178.15 178.39 1nee h GLU 93 N -0.60 0.00 -0.06 2.37 4.81 -0.54 0.32 114.58 120.88 1nee h GLU 93 Ca 0.01 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 1nee h GLU 93 Cb 0.60 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.99 1nee h GLU 93 CO -0.15 0.00 -0.86 -0.44 -0.73 0.00 0.00 179.01 176.83 1nee h ASP 94 N 0.00 0.68 0.00 1.04 5.19 -0.22 -1.86 116.42 121.24 1nee h ASP 94 Ca 0.15 -0.49 -0.06 0.00 -0.62 0.00 0.00 57.03 56.00 1nee h ASP 94 Cb 0.86 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 1nee h ASP 94 CO -0.00 1.27 -0.53 1.88 -3.12 0.00 0.00 179.24 178.74 1nee h TYR 95 N 0.35 0.00 -0.67 4.55 -1.99 -0.46 -2.90 116.97 115.85 1nee h TYR 95 Ca -0.07 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.75 1nee h TYR 95 Cb 1.48 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 40.14 1nee h TYR 95 CO 0.07 0.57 0.33 0.28 -0.00 0.00 0.00 178.16 179.41 1nee h VAL 96 N -1.00 0.86 -1.82 -2.88 2.07 -0.64 -2.63 116.25 110.21 1nee h VAL 96 Ca -0.10 -0.20 -0.68 0.00 0.82 0.00 0.00 66.70 66.55 1nee h VAL 96 Cb 0.70 0.23 -0.35 0.00 -1.52 0.00 0.00 31.29 30.35 1nee h VAL 96 CO -0.06 0.11 0.10 0.59 0.02 0.00 0.00 177.57 178.33 1nee n ASN 97 N -4.87 5.98 0.05 0.57 4.13 -0.70 -4.70 115.26 115.72 1nee n ASN 97 Ca 0.10 -3.76 0.13 0.00 1.68 0.00 0.00 54.58 52.73 1nee n ASN 97 Cb 0.25 -0.76 0.52 0.00 -1.54 0.00 0.00 39.78 38.25 1nee n ASN 97 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1nee n LYS 98 N -0.46 0.12 -0.03 3.52 0.00 -0.99 -2.03 118.16 118.29 1nee n LYS 98 Ca 0.45 0.11 -0.14 0.00 -0.00 0.00 0.00 58.31 58.73 1nee n LYS 98 Cb 0.44 -1.64 -0.10 0.00 -0.00 0.00 0.00 35.03 33.73 1nee n LYS 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1nee h PHE 99 N 0.00 0.17 0.00 5.58 -5.15 -1.85 0.06 116.94 115.75 1nee h PHE 99 Ca 0.00 -0.07 -0.22 0.00 -0.20 0.00 0.00 57.97 57.48 1nee h PHE 99 Cb 0.60 -0.03 -0.04 0.00 0.22 0.00 0.00 35.95 36.70 1nee h PHE 99 CO 0.00 0.72 -1.30 -0.24 -2.00 0.00 0.00 178.31 175.49 1nee h VAL 100 N -0.43 1.02 0.00 0.88 3.04 -1.95 -0.90 116.25 117.92 1nee h VAL 100 Ca -0.00 -2.70 -0.01 0.00 -1.01 0.00 0.00 66.70 62.98 1nee h VAL 100 Cb 0.72 2.46 -0.00 0.00 -2.01 0.00 0.00 31.29 32.46 1nee h VAL 100 CO 0.02 0.58 -0.09 0.40 -1.01 0.00 0.00 177.57 177.47 1nee h ILE 101 N 0.00 0.86 -0.01 3.17 1.08 -1.52 -3.36 117.51 117.73 1nee h ILE 101 Ca -0.15 -1.67 0.00 0.00 -0.39 0.00 0.00 64.86 62.65 1nee h ILE 101 Cb 1.78 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 1nee h ILE 101 CO 0.08 0.29 -0.21 0.00 -0.69 0.00 0.00 178.15 177.62 1nee n HIS 103 N -0.57 -1.78 -3.56 0.00 -0.00 -0.46 -3.93 115.22 104.93 1nee n HIS 103 Ca 0.13 0.76 -0.30 0.00 -0.00 0.00 0.00 57.72 58.31 1nee n HIS 103 Cb 0.34 -4.48 0.02 0.00 -0.00 0.00 0.00 29.99 25.88 1nee n HIS 103 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1nee n GLU 104 N -3.53 -1.79 -0.70 -0.41 0.28 -0.52 -4.67 120.64 109.29 1nee n GLU 104 Ca -0.23 1.22 -0.33 0.00 -0.16 0.00 0.00 57.16 57.67 1nee n GLU 104 Cb 0.63 -2.50 -0.06 0.00 1.43 0.00 0.00 31.44 30.95 1nee n GLU 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nee n ASN 106 N 6.91 0.00 -3.55 0.00 4.13 -1.26 -4.76 115.26 116.73 1nee n ASN 106 Ca 0.40 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.30 1nee n ASN 106 Cb 0.29 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.52 1nee n ASN 106 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1nee n ARG 107 N 0.00 4.27 -1.60 3.52 5.12 -1.26 -5.07 116.66 121.64 1nee n ARG 107 Ca 0.00 -4.68 -0.43 0.00 -1.93 0.00 0.00 57.85 50.81 1nee n ARG 107 Cb 0.00 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 28.90 1nee n ARG 107 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1nee n PRO 108 N 0.41 1.39 -0.07 5.56 -0.02 -1.26 -4.84 135.00 136.17 1nee n PRO 108 Ca 0.35 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1nee n PRO 108 Cb 0.33 -1.97 0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1nee n PRO 108 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nee n ASP 109 N 0.83 1.55 -4.77 2.55 8.00 -1.26 -4.81 116.55 118.63 1nee n ASP 109 Ca 0.09 -2.08 -0.31 0.00 0.71 0.00 0.00 54.79 53.21 1nee n ASP 109 Cb 0.36 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 1nee n ASP 109 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nee s THR 110 N -1.03 1.41 -0.70 -3.53 -4.23 -1.26 -5.08 115.64 101.22 1nee s THR 110 Ca 0.04 -1.88 -0.22 0.00 -1.18 0.00 0.00 61.69 58.45 1nee s THR 110 Cb 0.03 -2.29 0.08 0.00 1.34 0.00 0.00 72.50 71.65 1nee s THR 110 CO 0.01 0.00 1.01 -0.60 -0.54 0.00 0.00 174.62 174.50 1nee s ARG 111 N -3.94 3.18 0.12 3.99 3.52 -1.26 -5.02 118.95 119.54 1nee s ARG 111 Ca 0.16 -0.93 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 1nee s ARG 111 Cb 0.02 -4.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.01 1nee s ARG 111 CO 0.09 -1.83 0.45 0.42 -0.81 0.00 0.00 175.30 173.62 1nee s ILE 112 N 3.98 5.03 -0.15 4.11 -1.09 -1.26 -4.91 121.20 126.90 1nee s ILE 112 Ca 0.24 0.49 -0.09 0.00 -2.23 0.00 0.00 60.65 59.07 1nee s ILE 112 Cb -0.15 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1nee s ILE 112 CO 0.07 0.21 0.37 -0.63 -1.23 0.00 0.00 174.94 173.73 1nee s ILE 113 N -1.49 -0.02 -0.12 2.92 1.01 -1.26 -5.02 121.20 117.22 1nee s ILE 113 Ca 0.37 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1nee s ILE 113 Cb -0.14 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1nee s ILE 113 CO 0.19 0.04 -0.09 -0.60 0.00 0.00 0.00 174.94 174.48 1nee s ARG 114 N 1.20 1.66 -0.01 2.79 3.52 -1.26 -2.12 118.95 124.73 1nee s ARG 114 Ca -0.08 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 1nee s ARG 114 Cb -0.08 -1.66 -0.01 0.00 -1.56 0.00 0.00 34.95 31.64 1nee s ARG 114 CO -0.10 -0.24 -0.15 -2.00 -0.81 0.00 0.00 175.30 172.00 1nee s GLU 115 N 1.60 1.19 0.00 5.12 2.12 -0.11 -4.83 118.70 123.79 1nee s GLU 115 Ca 0.04 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1nee s GLU 115 Cb -0.13 -1.15 0.00 0.00 0.26 0.00 0.00 34.13 33.11 1nee s GLU 115 CO -0.08 0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 1nee n GLY 116 N 2.72 1.86 3.36 -1.50 0.00 -1.26 -1.58 105.19 108.78 1nee n GLY 116 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 1nee n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nee n ARG 117 N -0.78 -6.53 -2.73 1.61 3.00 -1.26 -3.20 116.66 106.76 1nee n ARG 117 Ca 0.00 0.81 -0.08 0.00 -0.01 0.00 0.00 57.85 58.57 1nee n ARG 117 Cb 0.00 -5.74 0.04 0.00 0.00 0.00 0.00 32.46 26.76 1nee n ARG 117 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1nee n ILE 118 N -4.12 -2.10 0.00 0.55 2.08 -1.26 -4.90 119.36 109.61 1nee n ILE 118 Ca -0.24 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 62.93 1nee n ILE 118 Cb 0.65 -3.21 0.00 0.00 -0.75 0.00 0.00 39.64 36.33 1nee n ILE 118 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1nee n SER 119 N -1.39 3.73 -4.24 4.38 2.88 -1.19 -4.89 113.62 112.90 1nee n SER 119 Ca -0.08 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.27 1nee n SER 119 Cb 0.56 0.27 -0.12 0.00 -0.75 0.00 0.00 64.21 64.17 1nee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1nee s LEU 120 N -3.80 2.35 -0.16 2.46 2.01 -0.61 -5.02 118.68 115.91 1nee s LEU 120 Ca 0.00 -0.74 -0.35 0.00 0.01 0.00 0.00 54.13 53.05 1nee s LEU 120 Cb 0.00 -0.63 0.14 0.00 0.01 0.00 0.00 46.19 45.72 1nee s LEU 120 CO 0.00 -0.08 1.30 -1.48 1.01 0.00 0.00 176.35 177.10 1nee s LEU 121 N -2.18 -0.07 -0.06 1.79 0.05 -0.57 -0.94 118.68 116.70 1nee s LEU 121 Ca 0.06 -0.03 0.04 0.00 0.05 0.00 0.00 54.13 54.25 1nee s LEU 121 Cb -0.07 1.25 -0.02 0.00 -2.05 0.00 0.00 46.19 45.29 1nee s LEU 121 CO 0.03 -0.17 -0.17 -1.59 -0.55 0.00 0.00 176.35 173.90 1nee s LYS 122 N -2.27 2.62 -0.33 1.48 -2.85 -0.90 -2.26 119.74 115.23 1nee s LYS 122 Ca 0.12 -0.76 0.15 0.00 -1.00 0.00 0.00 55.97 54.48 1nee s LYS 122 Cb 0.01 -2.34 0.46 0.00 -2.06 0.00 0.00 37.83 33.90 1nee s LYS 122 CO -0.04 0.50 1.05 0.00 0.10 0.00 0.00 175.35 176.96 1nee h GLU 124 N 2.72 0.00 0.00 0.00 3.07 -1.89 -2.54 114.58 115.95 1nee h GLU 124 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1nee h GLU 124 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1nee h GLU 124 CO 0.54 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.15 1nee n ALA 125 N -2.55 -0.13 -1.18 3.43 0.00 -1.26 -4.00 120.51 114.82 1nee n ALA 125 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 1nee n ALA 125 Cb 0.89 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.26 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 3.19 0.84 3.31 0.00 0.00 -1.08 -4.87 105.19 106.57 1nee n GLY 127 Ca 0.65 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.96 -0.10 4.61 0.00 -0.98 -3.98 121.76 118.35 1nee s ALA 128 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 1nee s ALA 128 Cb 0.00 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.44 1nee s ALA 128 CO 0.00 -0.41 0.45 0.21 0.00 0.00 0.00 175.76 176.01 1nee s LYS 129 N -2.22 0.67 -0.55 0.00 2.36 -1.26 -4.56 119.74 114.18 1nee s LYS 129 Ca -0.07 0.31 -0.26 0.00 -2.55 0.00 0.00 55.97 53.40 1nee s LYS 129 Cb -0.02 0.31 0.03 0.00 -1.05 0.00 0.00 37.83 37.11 1nee s LYS 129 CO -0.01 -0.15 1.06 0.00 1.55 0.00 0.00 175.35 177.81 1nee s ALA 130 N -0.50 3.09 0.20 3.13 0.00 -0.96 -4.21 121.76 122.51 1nee s ALA 130 Ca -0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1nee s ALA 130 Cb -0.03 -3.87 0.13 0.00 0.00 0.00 0.00 23.12 19.35 1nee s ALA 130 CO 0.03 -2.47 1.49 -1.00 0.00 0.00 0.00 175.76 173.82 1nee h PRO 131 N 9.39 0.41 -2.56 0.00 0.13 -1.82 -1.52 132.00 136.02 1nee h PRO 131 Ca -0.25 -0.29 -0.11 0.00 -0.87 0.00 0.00 66.00 64.48 1nee h PRO 131 Cb 1.07 0.05 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 1nee h PRO 131 CO 1.13 0.91 -0.38 -0.51 -0.23 0.00 0.00 178.00 178.91 1nee s LEU 132 N -8.08 -0.57 0.00 1.56 1.02 -1.26 -4.07 118.68 107.28 1nee s LEU 132 Ca -0.06 0.94 -0.11 0.00 0.02 0.00 0.00 54.13 54.93 1nee s LEU 132 Cb 0.11 1.28 0.17 0.00 0.02 0.00 0.00 46.19 47.77 1nee s LEU 132 CO 0.83 -0.23 1.01 0.29 0.02 0.00 0.00 176.35 178.27 1nee n LYS 133 N 5.32 -0.84 -1.05 1.70 5.02 -1.26 -5.05 118.16 122.00 1nee n LYS 133 Ca -0.09 -1.73 -0.30 0.00 -2.02 0.00 0.00 58.31 54.17 1nee n LYS 133 Cb 0.50 -0.99 0.14 0.00 -0.02 0.00 0.00 35.03 34.66 1nee n LYS 133 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1nee s ASN 134 N -4.75 3.34 0.00 4.39 0.01 -1.26 -5.26 114.94 111.41 1nee s ASN 134 Ca 0.59 1.71 0.22 0.00 -0.71 0.00 0.00 52.86 54.66 1nee s ASN 134 Cb -0.02 -2.34 1.31 0.00 0.41 0.00 0.00 41.25 40.61 1nee s ASN 134 CO 0.41 -2.75 1.69 0.55 -1.51 0.00 0.00 177.10 175.48