#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w0n s THR 13 N 0.00 2.42 -0.14 1.39 2.01 -0.47 -4.98 115.64 115.87 1w0n s THR 13 Ca 0.00 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1w0n s THR 13 Cb 0.00 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 1w0n s THR 13 CO 0.00 0.51 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.64 1w0n s LYS 14 N 1.34 3.57 -0.09 4.92 2.20 -1.26 -1.01 119.74 129.40 1w0n s LYS 14 Ca 0.05 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1w0n s LYS 14 Cb -0.13 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1w0n s LYS 14 CO -0.10 0.28 -0.13 0.08 -0.36 0.00 0.00 175.35 175.11 1w0n s VAL 15 N 0.25 1.32 0.15 4.02 1.01 -0.05 -5.00 120.40 122.10 1w0n s VAL 15 Ca -0.03 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1w0n s VAL 15 Cb -0.14 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.95 1w0n s VAL 15 CO 0.03 0.40 1.09 -1.61 0.00 0.00 0.00 175.10 175.02 1w0n s GLU 16 N 0.97 4.59 0.30 2.72 0.41 -1.26 -1.14 118.70 125.28 1w0n s GLU 16 Ca -0.08 1.68 0.01 0.00 -0.41 0.00 0.00 54.97 56.17 1w0n s GLU 16 Cb -0.15 -3.30 0.52 0.00 -1.78 0.00 0.00 34.13 29.42 1w0n s GLU 16 CO -0.01 0.05 1.91 0.00 -0.49 0.00 0.00 175.26 176.73 1w0n h ALA 17 N 5.41 1.51 0.00 5.21 0.00 -1.60 -1.20 119.26 128.59 1w0n h ALA 17 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1w0n h ALA 17 Cb 1.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1w0n h ALA 17 CO 0.73 0.36 0.00 -0.85 0.00 0.00 0.00 179.25 179.50 1w0n n GLU 18 N -4.48 0.00 -0.08 0.00 0.00 -1.26 -1.43 120.64 113.39 1w0n n GLU 18 Ca 0.13 0.33 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1w0n n GLU 18 Cb 0.19 -1.51 0.14 0.00 0.00 0.00 0.00 31.44 30.26 1w0n n GLU 18 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1w0n n ASN 19 N -1.51 3.15 -4.95 -1.84 3.02 -0.45 -4.99 115.26 107.68 1w0n n ASN 19 Ca 0.02 -1.98 -0.23 0.00 -0.03 0.00 0.00 54.58 52.36 1w0n n ASN 19 Cb 0.12 -0.10 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 1w0n n ASN 19 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1w0n s MET 20 N -1.75 2.37 0.19 3.52 -1.94 -0.52 -5.02 119.30 116.16 1w0n s MET 20 Ca 0.32 -0.54 -0.30 0.00 -1.71 0.00 0.00 55.69 53.46 1w0n s MET 20 Cb 0.21 -2.34 -0.09 0.00 2.01 0.00 0.00 34.83 34.62 1w0n s MET 20 CO 0.30 -0.97 1.30 0.21 -0.01 0.00 0.00 175.02 175.85 1w0n s LYS 21 N -4.99 4.40 -0.15 2.03 2.20 0.04 -4.85 119.74 118.41 1w0n s LYS 21 Ca 0.59 2.03 -0.00 0.00 -0.36 0.00 0.00 55.97 58.22 1w0n s LYS 21 Cb -0.11 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1w0n s LYS 21 CO 0.41 -0.25 -0.13 0.42 -0.36 0.00 0.00 175.35 175.45 1w0n s ILE 22 N 0.17 2.91 0.25 5.43 1.01 -1.26 -1.02 121.20 128.69 1w0n s ILE 22 Ca 0.57 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1w0n s ILE 22 Cb -0.36 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1w0n s ILE 22 CO 0.37 0.51 0.16 -0.83 0.00 0.00 0.00 174.94 175.15 1w0n s GLY 23 N 0.65 1.74 0.00 6.18 0.00 -0.41 -5.00 107.32 110.48 1w0n s GLY 23 Ca -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.86 1w0n s GLY 23 CO 0.02 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1w0n n GLY 24 N -0.41 1.11 0.32 0.20 0.00 -1.23 -1.32 105.19 103.86 1w0n n GLY 24 Ca 0.02 -2.08 -0.06 0.00 0.00 0.00 0.00 46.02 43.91 1w0n n GLY 24 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1w0n h THR 25 N 0.00 1.25 0.00 2.61 2.02 -1.85 -3.37 112.91 113.57 1w0n h THR 25 Ca 0.00 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1w0n h THR 25 Cb 0.00 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1w0n h THR 25 CO 0.00 0.35 -1.14 -1.22 0.37 0.00 0.00 175.52 173.88 1w0n n TYR 26 N -4.24 0.00 -1.80 3.16 4.01 -1.26 -5.06 117.16 111.97 1w0n n TYR 26 Ca 0.05 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.40 1w0n n TYR 26 Cb 0.25 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1w0n n TYR 26 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1w0n s ALA 27 N -2.15 2.98 0.06 -0.72 0.00 -1.26 -4.92 121.76 115.74 1w0n s ALA 27 Ca -0.01 1.38 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 1w0n s ALA 27 Cb 0.01 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.65 1w0n s ALA 27 CO 0.11 -1.30 0.86 0.20 0.00 0.00 0.00 175.76 175.64 1w0n s GLY 28 N -0.80 -0.43 0.45 0.00 0.00 -1.17 -4.84 107.32 100.53 1w0n s GLY 28 Ca 0.68 0.72 -0.25 0.00 0.00 0.00 0.00 44.72 45.86 1w0n s GLY 28 CO 0.51 0.23 1.41 0.54 0.00 0.00 0.00 173.10 175.78 1w0n s LYS 29 N -3.26 3.69 0.19 2.90 1.02 -1.26 -1.54 119.74 121.48 1w0n s LYS 29 Ca 0.06 2.37 0.07 0.00 0.02 0.00 0.00 55.97 58.49 1w0n s LYS 29 Cb -0.01 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1w0n s LYS 29 CO -0.07 -0.80 -0.14 0.96 -0.92 0.00 0.00 175.35 174.39 1w0n s ILE 30 N -1.22 1.65 -0.06 2.17 -4.36 -0.04 -4.84 121.20 114.49 1w0n s ILE 30 Ca 0.61 -2.14 0.06 0.00 -0.26 0.00 0.00 60.65 58.92 1w0n s ILE 30 Cb -0.43 -1.97 -0.09 0.00 1.25 0.00 0.00 42.46 41.22 1w0n s ILE 30 CO 0.55 -0.58 0.16 -1.54 0.24 0.00 0.00 174.94 173.77 1w0n n SER 31 N -0.25 2.92 -4.15 4.36 3.41 -1.24 -1.66 113.62 117.01 1w0n n SER 31 Ca -0.09 -0.12 -0.24 0.00 -0.26 0.00 0.00 58.87 58.16 1w0n n SER 31 Cb 0.60 1.24 -0.15 0.00 -0.26 0.00 0.00 64.21 65.63 1w0n n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w0n s ALA 32 N -2.28 1.37 -1.70 7.33 0.00 -1.26 -3.15 121.76 122.08 1w0n s ALA 32 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1w0n s ALA 32 Cb 0.04 -0.34 0.13 0.00 0.00 0.00 0.00 23.12 22.95 1w0n s ALA 32 CO 0.26 0.33 1.01 -0.35 0.00 0.00 0.00 175.76 177.01 1w0n n PRO 33 N 2.62 1.43 -3.75 0.00 -0.04 -1.26 -4.96 135.00 129.04 1w0n n PRO 33 Ca -0.15 -0.53 -0.03 0.00 -0.04 0.00 0.00 63.50 62.75 1w0n n PRO 33 Cb 0.54 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.74 1w0n n PRO 33 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1w0n s PHE 34 N -1.69 -0.13 -0.07 0.54 -0.12 -1.19 -5.00 117.98 110.33 1w0n s PHE 34 Ca 0.10 -0.17 -0.30 0.00 -0.05 0.00 0.00 56.93 56.51 1w0n s PHE 34 Cb 0.06 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 43.04 1w0n s PHE 34 CO 0.05 -0.81 1.38 -0.51 -0.05 0.00 0.00 175.22 175.28 1w0n s ASP 35 N -2.94 6.87 0.00 1.98 1.01 -1.24 -3.59 116.67 118.76 1w0n s ASP 35 Ca 0.12 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.35 1w0n s ASP 35 Cb -0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.37 1w0n s ASP 35 CO 0.02 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.26 1w0n n GLY 36 N 3.69 1.08 3.01 0.21 0.00 -0.66 -4.66 105.19 107.85 1w0n n GLY 36 Ca 0.14 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1w0n n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w0n s VAL 37 N -1.11 0.53 -0.08 1.61 1.01 -0.52 -0.86 120.40 120.98 1w0n s VAL 37 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1w0n s VAL 37 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1w0n s VAL 37 CO 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 175.10 175.18 1w0n s ALA 38 N -0.54 3.70 -0.13 5.51 0.00 -0.59 -0.74 121.76 128.97 1w0n s ALA 38 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1w0n s ALA 38 Cb -0.05 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1w0n s ALA 38 CO 0.00 0.64 -0.22 -0.51 0.00 0.00 0.00 175.76 175.67 1w0n s LEU 39 N -1.25 2.11 -0.00 0.00 1.43 0.08 -3.06 118.68 117.98 1w0n s LEU 39 Ca 0.18 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1w0n s LEU 39 Cb -0.12 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1w0n s LEU 39 CO 0.07 0.09 0.00 -1.22 0.23 0.00 0.00 176.35 175.53 1w0n n TYR 40 N 3.98 0.00 -4.08 0.29 4.01 -1.26 -1.47 117.16 118.63 1w0n n TYR 40 Ca -0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.40 1w0n n TYR 40 Cb 0.52 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 1w0n n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1w0n s ALA 41 N -2.02 0.65 0.09 -0.72 0.00 -1.26 -4.85 121.76 113.66 1w0n s ALA 41 Ca -0.00 -1.44 -0.37 0.00 0.00 0.00 0.00 51.96 50.15 1w0n s ALA 41 Cb 0.00 1.16 -0.17 0.00 0.00 0.00 0.00 23.12 24.11 1w0n s ALA 41 CO 0.02 -0.79 1.32 -1.71 0.00 0.00 0.00 175.76 174.60 1w0n n ASN 42 N -1.19 1.56 0.00 0.00 4.05 -1.26 -1.92 115.26 116.50 1w0n n ASN 42 Ca 0.01 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.16 1w0n n ASN 42 Cb 0.62 -1.18 0.00 0.00 1.23 0.00 0.00 39.78 40.45 1w0n n ASN 42 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1w0n n ALA 43 N 2.40 0.00 -1.77 5.20 0.00 -1.26 -4.75 120.51 120.33 1w0n n ALA 43 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1w0n n ALA 43 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 1w0n n ALA 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1w0n s ASP 44 N -2.96 6.69 0.17 0.00 1.01 -0.81 -3.51 116.67 117.26 1w0n s ASP 44 Ca 0.00 2.32 -0.23 0.00 0.71 0.00 0.00 52.55 55.34 1w0n s ASP 44 Cb 0.00 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.38 1w0n s ASP 44 CO 0.00 -0.56 0.66 -0.72 0.21 0.00 0.00 175.17 174.77 1w0n s TYR 45 N -1.39 -0.43 0.07 4.23 1.13 -0.43 -4.39 117.35 116.13 1w0n s TYR 45 Ca 0.55 0.17 0.09 0.00 -1.41 0.00 0.00 57.07 56.46 1w0n s TYR 45 Cb -0.30 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.12 1w0n s TYR 45 CO 0.38 -0.91 -0.24 0.14 -2.51 0.00 0.00 175.55 172.42 1w0n s VAL 46 N -3.72 1.94 0.09 -3.49 -7.23 -0.64 -1.29 120.40 106.06 1w0n s VAL 46 Ca 0.04 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 1w0n s VAL 46 Cb -0.02 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.26 1w0n s VAL 46 CO -0.08 0.21 0.39 -0.94 -0.31 0.00 0.00 175.10 174.37 1w0n s SER 47 N -1.45 -0.23 0.25 4.85 1.04 -0.19 -1.03 113.70 116.94 1w0n s SER 47 Ca 0.10 -0.20 -0.22 0.00 0.48 0.00 0.00 55.95 56.12 1w0n s SER 47 Cb -0.10 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1w0n s SER 47 CO 0.03 -0.76 0.71 -0.72 0.98 0.00 0.00 173.24 173.49 1w0n s TYR 48 N -3.19 -0.25 -0.21 5.02 1.13 -0.50 -0.78 117.35 118.56 1w0n s TYR 48 Ca -0.01 -0.15 -0.11 0.00 -1.41 0.00 0.00 57.07 55.39 1w0n s TYR 48 Cb 0.01 0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 41.50 1w0n s TYR 48 CO -0.08 -1.14 0.16 -1.12 -2.51 0.00 0.00 175.55 170.86 1w0n s SER 49 N -2.89 6.19 -0.09 -0.18 0.01 -1.26 -0.30 113.70 115.18 1w0n s SER 49 Ca 0.09 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.59 1w0n s SER 49 Cb -0.05 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 1w0n s SER 49 CO 0.03 0.12 -0.21 -1.58 0.41 0.00 0.00 173.24 172.01 1w0n s GLN 50 N 0.67 2.98 -0.04 12.44 2.00 -0.10 -4.93 119.66 132.68 1w0n s GLN 50 Ca 0.09 -0.83 -0.22 0.00 -2.00 0.00 0.00 55.36 52.40 1w0n s GLN 50 Cb -0.12 -2.35 -0.05 0.00 0.80 0.00 0.00 33.01 31.30 1w0n s GLN 50 CO 0.01 0.26 0.63 -0.47 -0.50 0.00 0.00 175.29 175.22 1w0n s TYR 51 N 0.17 3.63 -0.08 1.67 5.04 -1.26 -0.79 117.35 125.72 1w0n s TYR 51 Ca -0.12 1.19 0.05 0.00 -2.44 0.00 0.00 57.07 55.75 1w0n s TYR 51 Cb -0.16 -2.68 -0.00 0.00 0.35 0.00 0.00 41.96 39.46 1w0n s TYR 51 CO 0.07 0.23 -0.24 -0.06 -1.34 0.00 0.00 175.55 174.21 1w0n s PHE 52 N 0.28 2.45 -0.02 4.97 0.08 -0.12 -4.96 117.98 120.66 1w0n s PHE 52 Ca 0.33 -0.91 0.08 0.00 0.12 0.00 0.00 56.93 56.56 1w0n s PHE 52 Cb -0.18 -1.63 -0.24 0.00 -0.57 0.00 0.00 43.02 40.41 1w0n s PHE 52 CO 0.17 -0.34 0.73 0.00 -0.10 0.00 0.00 175.22 175.68 1w0n h ALA 53 N 6.49 0.63 -3.20 5.36 0.00 -1.96 0.67 119.26 127.25 1w0n h ALA 53 Ca -0.24 -1.35 -0.65 0.00 0.00 0.00 0.00 54.91 52.67 1w0n h ALA 53 Cb 1.21 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 1w0n h ALA 53 CO 0.47 1.46 -0.61 -0.80 0.00 0.00 0.00 179.25 179.78 1w0n s ASN 54 N -6.38 5.47 0.00 0.00 -0.87 -1.26 -4.89 114.94 107.00 1w0n s ASN 54 Ca -0.06 0.03 0.28 0.00 -1.57 0.00 0.00 52.86 51.53 1w0n s ASN 54 Cb 0.08 -1.48 0.98 0.00 -0.02 0.00 0.00 41.25 40.81 1w0n s ASN 54 CO 0.82 0.22 1.74 -1.54 -2.57 0.00 0.00 177.10 175.77 1w0n n SER 55 N 0.85 0.24 -3.95 -1.22 3.41 -1.26 -4.74 113.62 106.94 1w0n n SER 55 Ca -0.11 0.09 -0.19 0.00 -0.26 0.00 0.00 58.87 58.39 1w0n n SER 55 Cb 0.52 -0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 1w0n n SER 55 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1w0n s THR 56 N -2.93 0.62 0.06 6.66 2.01 -1.26 -0.24 115.64 120.55 1w0n s THR 56 Ca 0.15 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1w0n s THR 56 Cb 0.19 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1w0n s THR 56 CO 0.58 0.21 -0.04 -1.00 -0.69 0.00 0.00 174.62 173.68 1w0n s HIS 57 N 0.37 0.57 0.02 4.92 0.09 -0.55 -4.80 115.29 115.91 1w0n s HIS 57 Ca -0.05 -0.91 -0.17 0.00 -0.00 0.00 0.00 55.06 53.93 1w0n s HIS 57 Cb -0.09 -0.39 -0.06 0.00 -0.00 0.00 0.00 32.58 32.04 1w0n s HIS 57 CO 0.00 -0.28 0.48 -0.80 -0.00 0.00 0.00 174.74 174.14 1w0n s ASN 58 N -2.63 6.90 -0.08 1.40 0.02 0.33 -0.81 114.94 120.07 1w0n s ASN 58 Ca 0.03 1.07 0.01 0.00 -1.02 0.00 0.00 52.86 52.95 1w0n s ASN 58 Cb 0.03 -2.30 0.02 0.00 0.02 0.00 0.00 41.25 39.03 1w0n s ASN 58 CO -0.07 0.28 -0.08 -0.63 0.02 0.00 0.00 177.10 176.62 1w0n s ILE 59 N -0.96 0.93 0.07 0.60 1.09 0.21 -1.20 121.20 121.94 1w0n s ILE 59 Ca 0.26 -0.29 0.10 0.00 -1.10 0.00 0.00 60.65 59.61 1w0n s ILE 59 Cb -0.18 -0.92 -0.03 0.00 -1.06 0.00 0.00 42.46 40.27 1w0n s ILE 59 CO 0.15 0.33 -0.26 -0.44 -0.10 0.00 0.00 174.94 174.62 1w0n s SER 60 N 1.23 3.18 -0.05 3.58 0.01 -0.14 -0.57 113.70 120.95 1w0n s SER 60 Ca -0.05 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1w0n s SER 60 Cb -0.14 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.84 1w0n s SER 60 CO -0.02 0.23 -0.08 -0.69 0.41 0.00 0.00 173.24 173.08 1w0n s VAL 61 N -0.88 0.82 -0.15 3.43 1.01 -0.17 -0.31 120.40 124.15 1w0n s VAL 61 Ca 0.12 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1w0n s VAL 61 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1w0n s VAL 61 CO 0.03 0.28 0.55 -0.60 0.00 0.00 0.00 175.10 175.36 1w0n s ARG 62 N 0.65 4.29 0.37 2.72 3.52 -0.97 -1.08 118.95 128.46 1w0n s ARG 62 Ca -0.11 0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 55.92 1w0n s ARG 62 Cb -0.14 -3.50 0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1w0n s ARG 62 CO 0.02 -0.01 0.69 0.20 -0.81 0.00 0.00 175.30 175.38 1w0n s GLY 63 N 0.90 0.77 0.18 8.12 0.00 -0.51 -0.52 107.32 116.25 1w0n s GLY 63 Ca 0.28 -1.02 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 1w0n s GLY 63 CO 0.11 -0.55 0.50 0.00 0.00 0.00 0.00 173.10 173.16 1w0n s ALA 64 N -2.52 -0.93 0.22 3.20 0.00 -0.26 -1.36 121.76 120.11 1w0n s ALA 64 Ca 0.21 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1w0n s ALA 64 Cb -0.04 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1w0n s ALA 64 CO 0.15 -0.77 0.44 0.45 0.00 0.00 0.00 175.76 176.03 1w0n s SER 65 N -2.86 6.43 0.36 0.00 0.15 -0.60 -0.81 113.70 116.36 1w0n s SER 65 Ca 0.08 0.54 0.27 0.00 0.70 0.00 0.00 55.95 57.54 1w0n s SER 65 Cb -0.00 -2.07 1.18 0.00 -1.71 0.00 0.00 66.02 63.42 1w0n s SER 65 CO -0.05 -0.08 1.81 0.77 1.20 0.00 0.00 173.24 176.90 1w0n h SER 66 N 2.05 0.00 -5.20 5.45 4.64 -1.41 -3.37 113.55 115.71 1w0n h SER 66 Ca -0.47 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.42 1w0n h SER 66 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1w0n h SER 66 CO 0.68 0.00 -0.53 0.20 -0.87 0.00 0.00 176.83 176.31 1w0n s ASN 67 N -4.63 1.53 0.51 4.97 0.01 -1.26 -4.96 114.94 111.10 1w0n s ASN 67 Ca 0.02 -1.64 0.15 0.00 -0.71 0.00 0.00 52.86 50.69 1w0n s ASN 67 Cb 0.09 0.48 1.22 0.00 0.41 0.00 0.00 41.25 43.45 1w0n s ASN 67 CO 0.41 -0.96 2.13 0.00 -1.51 0.00 0.00 177.10 177.16 1w0n h ALA 68 N 2.19 1.95 -3.02 0.60 0.00 -1.89 -3.19 119.26 115.90 1w0n h ALA 68 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1w0n h ALA 68 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1w0n h ALA 68 CO 0.46 0.04 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1w0n n GLY 69 N -1.47 0.11 3.80 0.00 0.00 -1.26 -2.16 105.19 104.21 1w0n n GLY 69 Ca -0.03 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.85 1w0n n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w0n s THR 70 N 0.61 5.12 -0.06 2.61 2.01 -1.26 -1.79 115.64 122.87 1w0n s THR 70 Ca 0.00 0.80 0.05 0.00 0.31 0.00 0.00 61.69 62.86 1w0n s THR 70 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1w0n s THR 70 CO 0.00 0.49 -0.23 0.00 -0.69 0.00 0.00 174.62 174.20 1w0n s ALA 71 N -0.46 2.27 -0.05 7.40 0.00 0.29 -1.35 121.76 129.86 1w0n s ALA 71 Ca 0.23 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1w0n s ALA 71 Cb -0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1w0n s ALA 71 CO 0.11 0.43 -0.24 0.15 0.00 0.00 0.00 175.76 176.21 1w0n s LYS 72 N -0.23 2.32 -0.16 0.00 1.02 -1.26 -0.78 119.74 120.65 1w0n s LYS 72 Ca -0.01 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1w0n s LYS 72 Cb -0.13 -2.03 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1w0n s LYS 72 CO 0.03 0.40 -0.13 0.08 -0.92 0.00 0.00 175.35 174.81 1w0n s VAL 73 N -0.23 1.58 0.30 3.17 1.01 -0.13 -1.36 120.40 124.73 1w0n s VAL 73 Ca -0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1w0n s VAL 73 Cb -0.12 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 1w0n s VAL 73 CO 0.02 0.36 1.09 -1.81 0.00 0.00 0.00 175.10 174.77 1w0n s ASP 74 N 1.46 7.18 -0.23 3.32 1.01 0.11 -0.36 116.67 129.16 1w0n s ASP 74 Ca 0.03 2.24 -0.08 0.00 0.71 0.00 0.00 52.55 55.45 1w0n s ASP 74 Cb -0.14 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1w0n s ASP 74 CO -0.10 -0.20 0.08 -0.22 0.21 0.00 0.00 175.17 174.94 1w0n s LEU 75 N -1.64 3.62 -0.17 1.23 2.96 -0.35 -2.22 118.68 122.12 1w0n s LEU 75 Ca 0.47 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.29 1w0n s LEU 75 Cb -0.30 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1w0n s LEU 75 CO 0.39 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.62 1w0n s VAL 76 N 1.21 2.63 -0.16 1.68 1.01 0.19 -0.86 120.40 126.09 1w0n s VAL 76 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1w0n s VAL 76 Cb -0.14 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1w0n s VAL 76 CO 0.04 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 1w0n s ILE 77 N 0.99 1.82 -1.47 2.22 1.01 0.01 -0.86 121.20 124.92 1w0n s ILE 77 Ca -0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1w0n s ILE 77 Cb -0.15 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.67 1w0n s ILE 77 CO -0.03 0.50 0.60 0.61 0.00 0.00 0.00 174.94 176.62 1w0n n GLY 78 N 4.69 -0.51 2.63 6.18 0.00 0.29 -1.50 105.19 116.98 1w0n n GLY 78 Ca -0.19 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1w0n n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w0n n GLY 79 N -1.44 1.73 3.67 -0.02 0.00 -1.26 -4.97 105.19 102.89 1w0n n GLY 79 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1w0n n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w0n s VAL 80 N -3.35 5.31 -0.43 1.61 1.01 -0.56 -5.04 120.40 118.95 1w0n s VAL 80 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1w0n s VAL 80 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1w0n s VAL 80 CO 0.00 0.32 1.28 -0.89 0.00 0.00 0.00 175.10 175.81 1w0n s THR 81 N 1.09 4.05 -0.77 3.92 2.01 -1.26 -0.81 115.64 123.88 1w0n s THR 81 Ca 0.12 1.09 0.23 0.00 0.31 0.00 0.00 61.69 63.43 1w0n s THR 81 Cb -0.14 -4.38 -0.11 0.00 0.01 0.00 0.00 72.50 67.88 1w0n s THR 81 CO 0.05 -0.84 1.08 1.33 -0.69 0.00 0.00 174.62 175.54 1w0n n VAL 82 N 6.91 0.09 0.00 3.82 0.24 -0.04 -5.00 118.33 124.36 1w0n n VAL 82 Ca 0.14 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1w0n n VAL 82 Cb 0.48 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1w0n n VAL 82 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1w0n n GLY 83 N 1.42 -0.47 2.98 7.63 0.00 -1.25 -5.03 105.19 110.47 1w0n n GLY 83 Ca 0.03 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 1w0n n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w0n s SER 84 N 0.00 0.93 0.00 1.61 1.04 -1.26 -1.21 113.70 114.81 1w0n s SER 84 Ca 0.00 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.11 1w0n s SER 84 Cb 0.00 -0.19 -0.06 0.00 0.10 0.00 0.00 66.02 65.88 1w0n s SER 84 CO 0.00 0.06 0.51 -0.36 0.98 0.00 0.00 173.24 174.44 1w0n s PHE 85 N 0.06 3.71 -0.33 5.02 0.08 0.52 -4.88 117.98 122.15 1w0n s PHE 85 Ca -0.00 1.11 -0.09 0.00 0.12 0.00 0.00 56.93 58.07 1w0n s PHE 85 Cb -0.06 -2.47 0.01 0.00 -0.57 0.00 0.00 43.02 39.94 1w0n s PHE 85 CO -0.00 0.49 0.14 1.21 -0.10 0.00 0.00 175.22 176.95 1w0n s ASN 86 N -0.62 5.42 -0.39 1.36 3.04 -1.26 -0.96 114.94 121.52 1w0n s ASN 86 Ca 0.27 -0.79 -0.06 0.00 0.04 0.00 0.00 52.86 52.32 1w0n s ASN 86 Cb -0.18 -1.95 0.08 0.00 -1.54 0.00 0.00 41.25 37.67 1w0n s ASN 86 CO 0.16 -0.26 0.20 -0.36 -3.04 0.00 0.00 177.10 173.79 1w0n s PHE 87 N 1.53 3.41 -0.18 0.43 0.08 0.04 -4.94 117.98 118.36 1w0n s PHE 87 Ca 0.02 -1.90 -0.06 0.00 0.12 0.00 0.00 56.93 55.12 1w0n s PHE 87 Cb -0.18 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.33 1w0n s PHE 87 CO 0.05 -0.89 0.02 0.99 -0.10 0.00 0.00 175.22 175.29 1w0n s THR 88 N 1.30 4.31 0.00 0.64 2.01 -1.26 -0.55 115.64 122.09 1w0n s THR 88 Ca 0.03 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1w0n s THR 88 Cb -0.22 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1w0n s THR 88 CO -0.01 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 1w0n n GLY 89 N 3.75 0.19 0.22 4.40 0.00 -0.74 -4.76 105.19 108.25 1w0n n GLY 89 Ca -0.17 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.23 1w0n n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w0n h LYS 90 N 0.00 0.00 -6.11 1.61 1.57 -1.71 -1.60 116.57 110.32 1w0n h LYS 90 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1w0n h LYS 90 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1w0n h LYS 90 CO 0.00 0.00 0.27 0.99 -0.57 0.00 0.00 179.45 180.14 1w0n s THR 91 N -3.26 4.94 0.45 -0.16 2.01 -1.26 -4.66 115.64 113.70 1w0n s THR 91 Ca 0.06 1.68 -0.25 0.00 0.31 0.00 0.00 61.69 63.50 1w0n s THR 91 Cb 0.06 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1w0n s THR 91 CO 0.65 0.15 1.37 -2.65 -0.69 0.00 0.00 174.62 173.45 1w0n n PRO 92 N 4.29 2.10 -4.18 4.92 -0.02 -1.26 -4.80 135.00 136.05 1w0n n PRO 92 Ca 0.03 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1w0n n PRO 92 Cb 0.50 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1w0n n PRO 92 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1w0n s THR 93 N -1.20 0.50 -0.25 3.45 -4.23 -0.47 -4.96 115.64 108.48 1w0n s THR 93 Ca 0.62 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 59.05 1w0n s THR 93 Cb -0.47 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1w0n s THR 93 CO 0.57 -0.67 0.38 -0.69 -0.54 0.00 0.00 174.62 173.67 1w0n s VAL 94 N -3.76 5.18 0.15 2.29 1.01 -1.26 -1.42 120.40 122.58 1w0n s VAL 94 Ca 0.18 0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.83 1w0n s VAL 94 Cb 0.06 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1w0n s VAL 94 CO -0.01 0.18 -0.01 -1.10 0.00 0.00 0.00 175.10 174.16 1w0n s GLN 95 N 1.90 2.40 0.00 2.72 -1.52 -0.24 -4.95 119.66 119.97 1w0n s GLN 95 Ca 0.16 -1.05 0.01 0.00 -1.95 0.00 0.00 55.36 52.53 1w0n s GLN 95 Cb -0.15 -2.38 -0.01 0.00 -0.22 0.00 0.00 33.01 30.25 1w0n s GLN 95 CO 0.09 0.47 -0.04 0.99 -0.25 0.00 0.00 175.29 176.56 1w0n s THR 96 N -1.61 0.26 -0.22 -0.19 2.01 -1.26 -1.00 115.64 113.63 1w0n s THR 96 Ca 0.27 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1w0n s THR 96 Cb -0.10 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.19 1w0n s THR 96 CO 0.18 -0.01 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.22 1w0n s LEU 97 N -0.32 2.85 0.02 4.42 1.43 0.27 -5.01 118.68 122.34 1w0n s LEU 97 Ca -0.01 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 1w0n s LEU 97 Cb -0.03 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1w0n s LEU 97 CO -0.00 -0.09 0.19 -0.44 0.23 0.00 0.00 176.35 176.24 1w0n s SER 98 N 1.28 6.37 -1.30 2.29 0.01 -1.26 -0.62 113.70 120.46 1w0n s SER 98 Ca 0.00 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.56 1w0n s SER 98 Cb -0.16 -1.99 0.01 0.00 0.21 0.00 0.00 66.02 64.09 1w0n s SER 98 CO -0.08 0.23 0.84 0.59 0.41 0.00 0.00 173.24 175.23 1w0n n ASN 99 N 0.69 -2.05 -4.64 2.44 3.02 -1.14 -4.94 115.26 108.64 1w0n n ASN 99 Ca -0.09 -0.74 -0.40 0.00 -0.03 0.00 0.00 54.58 53.32 1w0n n ASN 99 Cb 0.52 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.22 1w0n n ASN 99 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1w0n s ILE 100 N -3.53 5.02 0.11 2.41 -1.09 0.01 -4.86 121.20 119.26 1w0n s ILE 100 Ca 0.10 1.10 -0.15 0.00 -2.23 0.00 0.00 60.65 59.46 1w0n s ILE 100 Cb -0.05 -3.91 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 1w0n s ILE 100 CO 0.79 0.07 0.53 -0.89 -1.23 0.00 0.00 174.94 174.20 1w0n s THR 101 N 2.25 4.86 0.31 2.92 2.01 -1.26 -1.48 115.64 125.25 1w0n s THR 101 Ca 0.26 0.90 -0.18 0.00 0.31 0.00 0.00 61.69 62.98 1w0n s THR 101 Cb -0.16 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1w0n s THR 101 CO 0.09 0.36 0.69 -1.38 -0.69 0.00 0.00 174.62 173.69 1w0n s HIS 102 N -1.33 0.03 0.65 4.92 -3.43 0.66 -4.99 115.29 111.80 1w0n s HIS 102 Ca 0.34 -0.53 -0.15 0.00 -0.80 0.00 0.00 55.06 53.93 1w0n s HIS 102 Cb -0.16 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.61 1w0n s HIS 102 CO 0.18 -1.29 1.09 0.00 -2.00 0.00 0.00 174.74 172.72 1w0n s ALA 103 N -3.47 2.56 0.57 -1.38 0.00 -1.26 -4.55 121.76 114.23 1w0n s ALA 103 Ca 0.15 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1w0n s ALA 103 Cb -0.05 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.89 1w0n s ALA 103 CO 0.09 -1.15 0.72 0.25 0.00 0.00 0.00 175.76 175.67 1w0n n THR 104 N -2.41 0.00 -4.11 0.00 -2.24 -1.26 -4.88 114.28 99.37 1w0n n THR 104 Ca 0.10 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1w0n n THR 104 Cb 0.52 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1w0n n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w0n n GLY 105 N -0.85 -0.87 3.68 3.38 0.00 0.23 -4.78 105.19 105.97 1w0n n GLY 105 Ca 0.13 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1w0n n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w0n s ASP 106 N -4.00 7.11 -0.02 1.61 1.01 -1.26 -0.94 116.67 120.18 1w0n s ASP 106 Ca 0.00 1.59 0.01 0.00 0.71 0.00 0.00 52.55 54.87 1w0n s ASP 106 Cb 0.00 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1w0n s ASP 106 CO 0.00 -0.59 -0.05 -1.10 0.21 0.00 0.00 175.17 173.64 1w0n s GLN 107 N 2.59 0.55 0.17 8.23 -1.52 0.03 -4.97 119.66 124.75 1w0n s GLN 107 Ca 0.50 -0.15 -0.30 0.00 -1.95 0.00 0.00 55.36 53.45 1w0n s GLN 107 Cb -0.20 -0.56 -0.08 0.00 -0.22 0.00 0.00 33.01 31.95 1w0n s GLN 107 CO 0.16 0.05 1.34 -2.00 -0.25 0.00 0.00 175.29 174.58 1w0n s GLU 108 N 0.25 4.36 -0.19 2.91 2.12 -1.26 -0.92 118.70 125.97 1w0n s GLU 108 Ca -0.03 2.06 -0.05 0.00 0.36 0.00 0.00 54.97 57.32 1w0n s GLU 108 Cb -0.07 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 1w0n s GLU 108 CO -0.00 -0.32 -0.00 0.42 -0.54 0.00 0.00 175.26 174.82 1w0n s ILE 109 N 0.43 4.00 -0.01 -3.70 -1.09 0.59 -0.55 121.20 120.87 1w0n s ILE 109 Ca 0.59 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1w0n s ILE 109 Cb -0.37 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1w0n s ILE 109 CO 0.36 0.45 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.70 1w0n s LYS 110 N 0.80 0.59 -0.09 2.79 2.20 -0.04 -1.40 119.74 124.57 1w0n s LYS 110 Ca 0.00 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1w0n s LYS 110 Cb -0.14 -0.58 -0.02 0.00 -1.51 0.00 0.00 37.83 35.59 1w0n s LYS 110 CO 0.02 0.10 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.43 1w0n s LEU 111 N 0.05 2.55 0.04 5.43 1.43 -0.20 -0.63 118.68 127.33 1w0n s LEU 111 Ca -0.00 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1w0n s LEU 111 Cb -0.05 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.67 1w0n s LEU 111 CO -0.00 0.23 0.35 0.00 0.23 0.00 0.00 176.35 177.17 1w0n s ALA 112 N -0.06 -0.84 0.41 4.21 0.00 -0.94 -1.62 121.76 122.91 1w0n s ALA 112 Ca -0.04 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 1w0n s ALA 112 Cb -0.14 0.30 -0.10 0.00 0.00 0.00 0.00 23.12 23.18 1w0n s ALA 112 CO 0.04 -0.41 1.38 1.28 0.00 0.00 0.00 175.76 178.05 1w0n n LEU 113 N 0.63 4.47 -0.26 0.00 4.77 -1.26 0.04 117.00 125.40 1w0n n LEU 113 Ca -0.19 1.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.88 1w0n n LEU 113 Cb 0.59 -1.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1w0n n LEU 113 CO 0.21 -0.27 0.96 0.74 -1.33 0.00 0.00 177.39 177.70 1w0n h THR 114 N 2.44 1.26 -2.02 -5.08 2.02 -1.54 -3.42 112.91 106.57 1w0n h THR 114 Ca -0.49 -0.93 -0.57 0.00 0.77 0.00 0.00 66.41 65.19 1w0n h THR 114 Cb 1.27 0.51 -0.13 0.00 -1.74 0.00 0.00 68.15 68.06 1w0n h THR 114 CO 0.62 0.36 -0.57 -0.94 0.37 0.00 0.00 175.52 175.35 1w0n s SER 115 N -6.40 3.19 -0.25 4.18 1.04 -1.26 -5.00 113.70 109.21 1w0n s SER 115 Ca -0.12 -1.48 -0.15 0.00 0.48 0.00 0.00 55.95 54.68 1w0n s SER 115 Cb 0.15 0.03 -0.16 0.00 0.10 0.00 0.00 66.02 66.14 1w0n s SER 115 CO 0.84 -0.66 -0.12 -0.67 0.98 0.00 0.00 173.24 173.61 1w0n n ASP 116 N -0.98 1.94 -0.11 7.02 4.64 -1.26 -4.52 116.55 123.28 1w0n n ASP 116 Ca -0.07 0.32 0.05 0.00 -1.38 0.00 0.00 54.79 53.71 1w0n n ASP 116 Cb 0.67 -0.84 -0.04 0.00 -1.04 0.00 0.00 41.12 39.87 1w0n n ASP 116 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1w0n n ASP 117 N -4.18 0.85 0.01 1.67 10.43 -1.26 -4.25 116.55 119.82 1w0n n ASP 117 Ca -0.45 -0.92 -0.07 0.00 2.57 0.00 0.00 54.79 55.92 1w0n n ASP 117 Cb 0.84 0.77 -0.12 0.00 1.84 0.00 0.00 41.12 44.45 1w0n n ASP 117 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1w0n h GLY 118 N 2.50 0.00 -2.21 0.44 0.00 -1.99 -3.47 103.07 98.34 1w0n h GLY 118 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1w0n h GLY 118 CO 0.00 0.00 -0.59 -0.51 0.00 0.00 0.00 176.54 175.44 1w0n s THR 119 N -2.68 0.38 0.48 4.70 -4.23 -1.26 -5.03 115.64 107.99 1w0n s THR 119 Ca -0.03 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.40 1w0n s THR 119 Cb 0.09 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.48 1w0n s THR 119 CO 0.82 0.00 0.46 0.79 -0.54 0.00 0.00 174.62 176.15 1w0n n TRP 120 N -0.50 -3.49 -3.42 3.99 7.02 -0.46 -4.92 117.44 115.67 1w0n n TRP 120 Ca 0.01 -0.42 -0.32 0.00 -1.02 0.00 0.00 57.50 55.75 1w0n n TRP 120 Cb 0.66 -0.45 -0.05 0.00 -2.42 0.00 0.00 31.31 29.04 1w0n n TRP 120 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1w0n s ASP 121 N -2.76 6.65 -0.12 -0.99 1.01 -1.26 -4.62 116.67 114.57 1w0n s ASP 121 Ca 0.29 0.93 -0.03 0.00 0.71 0.00 0.00 52.55 54.45 1w0n s ASP 121 Cb -0.02 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 1w0n s ASP 121 CO 0.22 -0.05 -0.03 0.00 0.21 0.00 0.00 175.17 175.53 1w0n s ALA 122 N -1.77 3.11 -0.23 5.23 0.00 -0.54 -1.11 121.76 126.45 1w0n s ALA 122 Ca 0.46 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 1w0n s ALA 122 Cb -0.12 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1w0n s ALA 122 CO 0.21 0.39 0.11 0.71 0.00 0.00 0.00 175.76 177.18 1w0n s TYR 123 N -0.23 3.22 -0.14 0.00 2.02 0.01 -0.74 117.35 121.49 1w0n s TYR 123 Ca 0.05 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.75 1w0n s TYR 123 Cb -0.13 -2.22 -0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1w0n s TYR 123 CO 0.02 -0.05 -0.18 0.54 -1.57 0.00 0.00 175.55 174.31 1w0n s VAL 124 N 1.09 2.48 -0.17 0.71 0.11 0.08 -1.10 120.40 123.59 1w0n s VAL 124 Ca 0.06 -0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 58.11 1w0n s VAL 124 Cb -0.14 -2.02 -0.10 0.00 -1.53 0.00 0.00 36.38 32.59 1w0n s VAL 124 CO 0.04 0.53 -0.01 -0.67 -3.33 0.00 0.00 175.10 171.66 1w0n n ASP 125 N 3.93 1.83 -3.68 3.54 -0.08 0.32 -1.44 116.55 120.97 1w0n n ASP 125 Ca -0.19 0.53 -0.08 0.00 -1.51 0.00 0.00 54.79 53.55 1w0n n ASP 125 Cb 0.52 -0.91 -0.02 0.00 2.34 0.00 0.00 41.12 43.05 1w0n n ASP 125 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1w0n s PHE 126 N -2.31 -0.28 0.08 -0.67 -0.12 -1.24 -1.74 117.98 111.70 1w0n s PHE 126 Ca -0.22 -0.04 0.10 0.00 -0.05 0.00 0.00 56.93 56.72 1w0n s PHE 126 Cb 0.04 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 43.03 1w0n s PHE 126 CO 0.39 -0.97 -0.26 -1.50 -0.05 0.00 0.00 175.22 172.84 1w0n s ILE 127 N -3.64 2.13 -0.05 -4.49 2.07 -0.30 -2.28 121.20 114.65 1w0n s ILE 127 Ca 0.08 -1.54 0.00 0.00 -1.41 0.00 0.00 60.65 57.78 1w0n s ILE 127 Cb -0.03 -1.85 0.03 0.00 0.13 0.00 0.00 42.46 40.73 1w0n s ILE 127 CO -0.01 0.21 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.61 1w0n s GLU 128 N -1.61 0.57 -0.10 3.50 2.02 0.57 -0.87 118.70 122.78 1w0n s GLU 128 Ca 0.12 0.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.10 1w0n s GLU 128 Cb -0.10 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.36 1w0n s GLU 128 CO 0.04 -0.16 0.05 -0.06 0.02 0.00 0.00 175.26 175.15 1w0n s PHE 129 N 1.24 3.32 0.15 1.61 0.40 -0.18 -0.96 117.98 123.56 1w0n s PHE 129 Ca -0.06 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.50 1w0n s PHE 129 Cb -0.13 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 1w0n s PHE 129 CO -0.02 0.57 0.24 -1.54 0.70 0.00 0.00 175.22 175.17 1w0n s SER 130 N -0.96 0.08 0.00 1.36 1.04 -0.34 -1.37 113.70 113.51 1w0n s SER 130 Ca 0.14 -0.87 0.28 0.00 0.48 0.00 0.00 55.95 55.98 1w0n s SER 130 Cb -0.12 0.40 1.03 0.00 0.10 0.00 0.00 66.02 67.44 1w0n s SER 130 CO 0.03 -0.85 1.73 0.18 0.98 0.00 0.00 173.24 175.32