#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1y n SER 2 N 0.00 0.00 -0.25 0.00 2.88 -1.26 -5.06 113.62 109.93 1u1y n SER 2 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1u1y n SER 2 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 1u1y n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1u1y n ASN 3 N 0.00 1.22 -3.87 -3.46 2.04 -1.26 -4.72 115.26 105.22 1u1y n ASN 3 Ca 0.00 -0.98 -0.41 0.00 -0.44 0.00 0.00 54.58 52.74 1u1y n ASN 3 Cb 0.00 0.35 -0.03 0.00 -2.53 0.00 0.00 39.78 37.57 1u1y n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 1u1y n PHE 4 N -0.70 2.99 -4.39 -2.53 7.35 -1.26 -4.86 117.46 114.05 1u1y n PHE 4 Ca 0.09 -2.40 -0.20 0.00 -0.76 0.00 0.00 57.45 54.19 1u1y n PHE 4 Cb 0.38 -2.26 -0.10 0.00 0.35 0.00 0.00 39.48 37.84 1u1y n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1u1y s THR 5 N 4.67 1.31 0.67 -2.13 -4.23 -1.26 -4.89 115.64 109.79 1u1y s THR 5 Ca 0.54 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1u1y s THR 5 Cb 0.12 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1u1y s THR 5 CO 0.03 -0.25 1.09 0.00 -0.54 0.00 0.00 174.62 174.94 1u1y s GLN 6 N -3.81 2.84 0.24 3.99 -2.07 -1.26 -4.71 119.66 114.88 1u1y s GLN 6 Ca 0.30 1.25 -0.17 0.00 -1.82 0.00 0.00 55.36 54.92 1u1y s GLN 6 Cb 0.06 -1.97 0.01 0.00 -1.09 0.00 0.00 33.01 30.02 1u1y s GLN 6 CO 0.11 -1.20 0.58 -0.59 -1.32 0.00 0.00 175.29 172.87 1u1y s PHE 7 N -2.56 0.03 -0.33 9.60 -0.71 -0.65 -5.00 117.98 118.36 1u1y s PHE 7 Ca 0.64 -0.42 -0.21 0.00 -1.04 0.00 0.00 56.93 55.89 1u1y s PHE 7 Cb -0.18 0.43 -0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1u1y s PHE 7 CO 0.45 -1.06 0.69 0.08 -1.34 0.00 0.00 175.22 174.03 1u1y s VAL 8 N -3.94 4.86 -0.11 -2.49 1.01 -1.26 -1.01 120.40 117.46 1u1y s VAL 8 Ca 0.15 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 1u1y s VAL 8 Cb -0.03 -4.08 -0.27 0.00 0.00 0.00 0.00 36.38 32.00 1u1y s VAL 8 CO 0.05 -0.26 0.62 0.25 0.00 0.00 0.00 175.10 175.76 1u1y h LEU 9 N 9.37 0.31 -7.93 3.92 5.85 -1.44 -3.44 115.31 121.96 1u1y h LEU 9 Ca -0.26 -0.85 -0.68 0.00 0.84 0.00 0.00 57.88 56.93 1u1y h LEU 9 Cb 1.11 -0.10 -0.35 0.00 0.37 0.00 0.00 40.66 41.68 1u1y h LEU 9 CO 0.85 1.48 -0.75 -0.69 -0.34 0.00 0.00 178.44 178.98 1u1y s VAL 10 N -2.42 2.54 -0.44 1.05 1.01 -1.04 -5.00 120.40 116.10 1u1y s VAL 10 Ca -0.19 -1.57 -0.22 0.00 0.00 0.00 0.00 61.98 60.00 1u1y s VAL 10 Cb 0.03 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1u1y s VAL 10 CO 0.75 -0.09 0.72 -0.62 0.00 0.00 0.00 175.10 175.86 1u1y s ASP 11 N 1.17 6.38 -0.30 3.32 -1.08 -1.26 -1.17 116.67 123.73 1u1y s ASP 11 Ca -0.06 -0.19 0.09 0.00 -0.52 0.00 0.00 52.55 51.86 1u1y s ASP 11 Cb -0.20 -2.35 0.52 0.00 -1.46 0.00 0.00 42.92 39.43 1u1y s ASP 11 CO -0.03 -0.84 1.50 0.59 0.52 0.00 0.00 175.17 176.91 1u1y n ASN 12 N 6.49 2.63 -2.36 -0.34 3.02 -1.26 -4.95 115.26 118.49 1u1y n ASN 12 Ca 0.00 -3.74 -0.06 0.00 -0.03 0.00 0.00 54.58 50.76 1u1y n ASN 12 Cb 0.48 -0.65 0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1u1y n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u1y n GLY 13 N -1.10 -0.25 4.77 7.41 0.00 -1.26 -4.00 105.19 110.75 1u1y n GLY 13 Ca 0.35 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1u1y n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1y n GLY 14 N -1.37 0.39 3.39 -0.02 0.00 -1.26 -4.83 105.19 101.50 1u1y n GLY 14 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1u1y n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u1y s THR 15 N 0.00 4.41 0.00 2.61 -1.32 -1.26 -4.26 115.64 115.83 1u1y s THR 15 Ca 0.00 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1u1y s THR 15 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.64 1u1y s THR 15 CO 0.00 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1u1y n GLY 16 N 4.95 0.96 3.77 6.08 0.00 -1.26 -4.76 105.19 114.94 1u1y n GLY 16 Ca -0.13 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1u1y n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1y s ASP 17 N -2.04 5.81 -0.28 1.61 1.01 -1.26 -4.59 116.67 116.93 1u1y s ASP 17 Ca 0.00 2.19 -0.04 0.00 0.71 0.00 0.00 52.55 55.41 1u1y s ASP 17 Cb 0.00 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1u1y s ASP 17 CO 0.00 -1.16 0.02 -0.69 0.21 0.00 0.00 175.17 173.55 1u1y s VAL 18 N -1.74 3.47 -0.05 -1.27 1.01 -0.32 -4.99 120.40 116.53 1u1y s VAL 18 Ca 0.71 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1u1y s VAL 18 Cb -0.24 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1u1y s VAL 18 CO 0.28 0.12 0.14 -0.89 0.00 0.00 0.00 175.10 174.75 1u1y s THR 19 N 1.42 5.25 -0.05 3.92 2.01 -1.26 -1.05 115.64 125.88 1u1y s THR 19 Ca 0.01 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1u1y s THR 19 Cb -0.17 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 68.95 1u1y s THR 19 CO -0.01 0.44 -0.22 0.54 -0.69 0.00 0.00 174.62 174.69 1u1y s VAL 20 N -1.18 1.77 0.11 3.82 0.11 -0.18 -4.37 120.40 120.49 1u1y s VAL 20 Ca 0.22 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.41 1u1y s VAL 20 Cb -0.12 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1u1y s VAL 20 CO 0.12 0.50 -0.14 0.00 -3.33 0.00 0.00 175.10 172.25 1u1y s ALA 21 N -0.15 1.46 0.06 1.54 0.00 -0.76 -1.64 121.76 122.27 1u1y s ALA 21 Ca -0.02 -1.24 -0.37 0.00 0.00 0.00 0.00 51.96 50.33 1u1y s ALA 21 Cb -0.12 -0.09 -0.16 0.00 0.00 0.00 0.00 23.12 22.75 1u1y s ALA 21 CO 0.02 0.13 1.41 -2.30 0.00 0.00 0.00 175.76 175.01 1u1y n PRO 22 N 0.68 1.25 0.00 0.00 -0.02 -1.26 -1.37 135.00 134.28 1u1y n PRO 22 Ca -0.17 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1u1y n PRO 22 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1u1y n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1u1y n SER 23 N 2.91 0.03 -3.59 2.55 3.41 0.29 -4.86 113.62 114.35 1u1y n SER 23 Ca 0.19 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 1u1y n SER 23 Cb 0.20 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 1u1y n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1u1y s ASN 24 N -0.20 -0.34 0.00 4.04 3.84 -1.21 -4.98 114.94 116.09 1u1y s ASN 24 Ca 0.00 0.42 0.00 0.00 0.21 0.00 0.00 52.86 53.49 1u1y s ASN 24 Cb 0.00 0.34 0.01 0.00 -0.55 0.00 0.00 41.25 41.05 1u1y s ASN 24 CO 0.00 -0.28 0.99 0.33 -2.79 0.00 0.00 177.10 175.35 1u1y n PHE 25 N 0.92 0.00 -1.85 0.43 7.35 -1.26 -1.17 117.46 121.88 1u1y n PHE 25 Ca -0.10 -0.01 -0.42 0.00 -0.76 0.00 0.00 57.45 56.17 1u1y n PHE 25 Cb 0.58 -0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.34 1u1y n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1u1y s ALA 26 N 0.00 3.80 -1.75 3.13 0.00 -1.25 -2.79 121.76 122.90 1u1y s ALA 26 Ca 0.01 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1u1y s ALA 26 Cb 0.01 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1u1y s ALA 26 CO -0.00 -0.86 0.00 0.09 0.00 0.00 0.00 175.76 174.99 1u1y n ASN 27 N 3.42 -5.57 0.00 0.00 3.02 -1.26 -2.40 115.26 112.46 1u1y n ASN 27 Ca 0.12 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1u1y n ASN 27 Cb 0.37 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 1u1y n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u1y n GLY 28 N -0.94 2.81 3.58 7.41 0.00 -1.12 -4.98 105.19 111.95 1u1y n GLY 28 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1u1y n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1y s VAL 29 N -3.07 4.60 0.19 1.61 1.01 -1.01 -4.79 120.40 118.94 1u1y s VAL 29 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1u1y s VAL 29 Cb 0.00 -4.33 -0.08 0.00 0.00 0.00 0.00 36.38 31.97 1u1y s VAL 29 CO 0.00 -0.63 0.97 0.00 0.00 0.00 0.00 175.10 175.44 1u1y s ALA 30 N 3.43 3.31 0.02 5.51 0.00 -0.87 -3.91 121.76 129.26 1u1y s ALA 30 Ca 0.35 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.99 1u1y s ALA 30 Cb -0.12 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 1u1y s ALA 30 CO 0.21 0.06 -0.12 -2.00 0.00 0.00 0.00 175.76 173.92 1u1y s GLU 31 N -0.71 0.83 0.00 0.00 2.12 -0.32 -1.53 118.70 119.09 1u1y s GLU 31 Ca 0.44 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.21 1u1y s GLU 31 Cb -0.26 -0.80 -0.01 0.00 0.26 0.00 0.00 34.13 33.32 1u1y s GLU 31 CO 0.32 0.20 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.57 1u1y s TRP 32 N -0.66 0.81 0.06 5.30 0.51 0.48 -0.55 118.94 124.89 1u1y s TRP 32 Ca 0.01 -0.20 -0.07 0.00 -2.12 0.00 0.00 56.10 53.72 1u1y s TRP 32 Cb -0.06 -0.51 -0.01 0.00 -0.81 0.00 0.00 33.47 32.08 1u1y s TRP 32 CO 0.00 -0.01 0.12 0.96 -0.51 0.00 0.00 176.95 177.52 1u1y s ILE 33 N -0.40 0.15 0.80 2.03 -4.36 -0.47 -1.11 121.20 117.84 1u1y s ILE 33 Ca 0.02 -1.20 -0.09 0.00 -0.26 0.00 0.00 60.65 59.12 1u1y s ILE 33 Cb -0.04 -1.14 0.11 0.00 1.25 0.00 0.00 42.46 42.64 1u1y s ILE 33 CO -0.00 -0.66 1.13 -0.94 0.24 0.00 0.00 174.94 174.71 1u1y s SER 34 N -2.48 4.21 -1.38 4.36 1.04 -0.83 -1.83 113.70 116.79 1u1y s SER 34 Ca 0.00 0.33 -0.15 0.00 0.48 0.00 0.00 55.95 56.62 1u1y s SER 34 Cb 0.02 -0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.47 1u1y s SER 34 CO -0.07 -2.01 1.99 -1.20 0.98 0.00 0.00 173.24 172.92 1u1y n SER 35 N -3.22 4.42 -3.41 7.02 7.64 -1.26 -4.76 113.62 120.04 1u1y n SER 35 Ca 0.11 -2.90 -0.15 0.00 1.01 0.00 0.00 58.87 56.94 1u1y n SER 35 Cb 0.60 -1.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 1u1y n SER 35 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1u1y s ASN 36 N 3.29 0.94 0.61 6.43 0.01 -1.26 -5.06 114.94 119.90 1u1y s ASN 36 Ca 0.48 -1.50 -0.17 0.00 -0.71 0.00 0.00 52.86 50.96 1u1y s ASN 36 Cb 0.09 0.61 -0.02 0.00 0.41 0.00 0.00 41.25 42.34 1u1y s ASN 36 CO -0.02 -1.19 1.14 -0.94 -1.51 0.00 0.00 177.10 174.57 1u1y s SER 37 N -3.24 5.28 0.33 -1.22 1.04 -1.26 -4.74 113.70 109.89 1u1y s SER 37 Ca 0.33 2.14 0.24 0.00 0.48 0.00 0.00 55.95 59.14 1u1y s SER 37 Cb 0.01 -2.57 1.20 0.00 0.10 0.00 0.00 66.02 64.76 1u1y s SER 37 CO 0.20 -1.52 1.72 0.03 0.98 0.00 0.00 173.24 174.66 1u1y h ARG 38 N 0.56 0.00 0.00 4.02 3.08 -1.97 -0.92 114.38 119.15 1u1y h ARG 38 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1u1y h ARG 38 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1u1y h ARG 38 CO 0.55 0.00 -0.30 -1.13 -1.07 0.00 0.00 179.97 178.02 1u1y n SER 39 N -2.32 0.73 0.00 7.04 3.41 -1.26 -3.89 113.62 117.33 1u1y n SER 39 Ca -0.01 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1u1y n SER 39 Cb 0.09 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1u1y n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1y n GLN 40 N -2.15 1.23 -1.89 4.33 6.02 -0.44 -5.00 117.38 119.48 1u1y n GLN 40 Ca 0.05 -0.97 -0.31 0.00 -0.01 0.00 0.00 57.00 55.76 1u1y n GLN 40 Cb 0.43 -0.90 0.03 0.00 1.02 0.00 0.00 30.24 30.82 1u1y n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u1y s ALA 41 N -0.51 3.00 -0.19 -1.58 0.00 -0.65 -4.70 121.76 117.14 1u1y s ALA 41 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 1u1y s ALA 41 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 1u1y s ALA 41 CO 0.00 -0.91 0.38 0.71 0.00 0.00 0.00 175.76 175.94 1u1y s TYR 42 N -3.26 3.39 0.02 0.00 1.51 -1.26 -4.39 117.35 113.36 1u1y s TYR 42 Ca 0.56 0.61 0.08 0.00 -1.01 0.00 0.00 57.07 57.32 1u1y s TYR 42 Cb -0.11 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.23 1u1y s TYR 42 CO 0.53 0.04 -0.23 0.21 -1.11 0.00 0.00 175.55 174.98 1u1y s LYS 43 N 1.14 1.68 -0.03 -0.62 2.20 -0.78 -1.97 119.74 121.37 1u1y s LYS 43 Ca 0.19 -0.94 -0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1u1y s LYS 43 Cb -0.14 -1.75 0.03 0.00 -1.51 0.00 0.00 37.83 34.45 1u1y s LYS 43 CO 0.07 0.46 0.03 0.08 -0.36 0.00 0.00 175.35 175.64 1u1y s VAL 44 N -0.70 -0.01 0.07 4.02 1.01 -0.27 -0.64 120.40 123.88 1u1y s VAL 44 Ca 0.09 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1u1y s VAL 44 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1u1y s VAL 44 CO 0.01 0.13 -0.15 0.42 0.00 0.00 0.00 175.10 175.51 1u1y s THR 45 N 1.37 1.19 -0.02 3.92 -4.23 -0.37 -0.39 115.64 117.12 1u1y s THR 45 Ca -0.05 -1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 1u1y s THR 45 Cb -0.13 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.60 1u1y s THR 45 CO -0.03 -0.16 0.22 0.00 -0.54 0.00 0.00 174.62 174.11 1u1y s SER 47 N -1.07 -0.57 0.09 0.00 1.04 -0.76 -2.05 113.70 110.38 1u1y s SER 47 Ca -0.11 0.60 0.09 0.00 0.48 0.00 0.00 55.95 57.01 1u1y s SER 47 Cb -0.06 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1u1y s SER 47 CO 0.02 -0.54 -0.23 -0.69 0.98 0.00 0.00 173.24 172.78 1u1y s VAL 48 N -1.24 1.91 0.17 5.02 1.01 -1.26 -0.72 120.40 125.28 1u1y s VAL 48 Ca -0.08 -1.50 -0.21 0.00 0.00 0.00 0.00 61.98 60.20 1u1y s VAL 48 Cb -0.00 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.74 1u1y s VAL 48 CO 0.07 0.10 0.56 0.00 0.00 0.00 0.00 175.10 175.83 1u1y s ARG 49 N -1.68 1.31 -0.69 2.72 1.70 -0.53 -4.99 118.95 116.80 1u1y s ARG 49 Ca 0.09 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.54 1u1y s ARG 49 Cb -0.10 0.56 0.13 0.00 -0.57 0.00 0.00 34.95 34.97 1u1y s ARG 49 CO 0.04 -0.57 0.78 -1.14 -1.08 0.00 0.00 175.30 173.34 1u1y s GLN 50 N -3.80 3.24 0.31 3.89 2.00 -1.26 0.43 119.66 124.47 1u1y s GLN 50 Ca 0.04 -1.60 0.00 0.00 -2.00 0.00 0.00 55.36 51.79 1u1y s GLN 50 Cb -0.01 -4.41 0.51 0.00 0.80 0.00 0.00 33.01 29.90 1u1y s GLN 50 CO -0.09 -1.54 1.94 0.66 -0.50 0.00 0.00 175.29 175.76 1u1y h SER 51 N 8.88 0.80 -2.80 6.67 4.64 -1.80 -3.46 113.55 126.48 1u1y h SER 51 Ca -0.15 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 1u1y h SER 51 Cb 1.07 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1u1y h SER 51 CO 1.04 0.64 0.01 -1.54 -0.87 0.00 0.00 176.83 176.11 1u1y n SER 52 N -4.38 -1.09 -0.32 4.97 3.41 -1.18 -5.01 113.62 110.03 1u1y n SER 52 Ca 0.06 -2.14 0.01 0.00 -0.26 0.00 0.00 58.87 56.55 1u1y n SER 52 Cb 0.10 1.93 0.19 0.00 -0.26 0.00 0.00 64.21 66.17 1u1y n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1y h ALA 53 N 1.89 1.41 -0.00 7.33 0.00 -2.04 -3.09 119.26 124.75 1u1y h ALA 53 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u1y h ALA 53 Cb 0.77 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1u1y h ALA 53 CO 0.25 0.51 -0.85 0.00 0.00 0.00 0.00 179.25 179.16 1u1y n GLN 54 N -4.44 0.54 -4.44 0.00 0.00 -1.26 -4.91 117.38 102.87 1u1y n GLN 54 Ca 0.12 -0.21 -0.27 0.00 0.00 0.00 0.00 57.00 56.65 1u1y n GLN 54 Cb 0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 30.24 28.75 1u1y n GLN 54 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1u1y s ASN 55 N -2.79 2.87 0.11 2.61 0.01 -1.17 -0.26 114.94 116.31 1u1y s ASN 55 Ca 0.10 -0.68 0.08 0.00 -0.71 0.00 0.00 52.86 51.65 1u1y s ASN 55 Cb 0.16 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1u1y s ASN 55 CO 0.77 0.14 -0.15 -0.13 -1.51 0.00 0.00 177.10 176.22 1u1y s ARG 56 N -1.79 1.92 -0.04 -0.60 0.52 -0.47 -2.51 118.95 115.98 1u1y s ARG 56 Ca 0.10 -1.13 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 1u1y s ARG 56 Cb -0.10 -2.18 0.03 0.00 0.52 0.00 0.00 34.95 33.22 1u1y s ARG 56 CO 0.04 0.49 0.07 0.21 0.02 0.00 0.00 175.30 176.13 1u1y s LYS 57 N -2.19 0.00 -0.14 3.54 2.20 0.17 -0.93 119.74 122.39 1u1y s LYS 57 Ca 0.19 0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 56.00 1u1y s LYS 57 Cb -0.11 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1u1y s LYS 57 CO 0.12 -0.17 0.09 0.71 -0.36 0.00 0.00 175.35 175.74 1u1y s TYR 58 N 1.15 3.40 -0.19 4.03 1.51 0.25 -1.45 117.35 126.05 1u1y s TYR 58 Ca -0.09 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.31 1u1y s TYR 58 Cb -0.13 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1u1y s TYR 58 CO -0.04 0.47 -0.19 0.99 -1.11 0.00 0.00 175.55 175.67 1u1y s THR 59 N -0.42 2.12 -0.08 -0.71 2.01 0.10 -1.18 115.64 117.48 1u1y s THR 59 Ca 0.11 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1u1y s THR 59 Cb -0.12 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 1u1y s THR 59 CO 0.02 0.48 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.56 1u1y s ILE 60 N 1.28 1.97 -0.01 1.82 1.01 0.08 -1.83 121.20 125.52 1u1y s ILE 60 Ca 0.04 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1u1y s ILE 60 Cb -0.14 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1u1y s ILE 60 CO -0.12 0.54 -0.16 -0.54 0.00 0.00 0.00 174.94 174.66 1u1y s LYS 61 N 0.13 1.30 -0.02 2.79 1.02 -0.45 -0.43 119.74 124.08 1u1y s LYS 61 Ca -0.12 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1u1y s LYS 61 Cb -0.16 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1u1y s LYS 61 CO 0.06 0.34 -0.03 0.08 -0.92 0.00 0.00 175.35 174.88 1u1y s VAL 62 N -0.44 0.32 -0.12 3.17 1.01 -0.65 -1.24 120.40 122.46 1u1y s VAL 62 Ca 0.06 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1u1y s VAL 62 Cb -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1u1y s VAL 62 CO -0.00 0.13 -0.22 -1.61 0.00 0.00 0.00 175.10 173.40 1u1y s GLU 63 N 0.34 2.93 -0.10 2.72 2.02 0.19 -0.66 118.70 126.14 1u1y s GLU 63 Ca -0.04 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.17 1u1y s GLU 63 Cb -0.07 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1u1y s GLU 63 CO -0.01 0.04 -0.24 0.08 0.02 0.00 0.00 175.26 175.16 1u1y s VAL 64 N 0.68 2.05 0.44 2.63 1.01 -0.64 -1.86 120.40 124.71 1u1y s VAL 64 Ca -0.11 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 1u1y s VAL 64 Cb -0.16 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 1u1y s VAL 64 CO 0.02 0.56 0.99 -2.16 0.00 0.00 0.00 175.10 174.51 1u1y s PRO 65 N 0.38 4.09 -0.14 2.72 0.04 -1.26 -1.20 135.00 139.63 1u1y s PRO 65 Ca -0.18 1.26 -0.27 0.00 0.04 0.00 0.00 61.00 61.85 1u1y s PRO 65 Cb -0.18 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 1u1y s PRO 65 CO 0.08 -0.16 0.93 0.21 0.04 0.00 0.00 177.00 178.09 1u1y s LYS 66 N -3.05 4.35 -0.19 4.56 2.20 -0.46 -4.91 119.74 122.25 1u1y s LYS 66 Ca 0.63 1.21 0.09 0.00 -0.36 0.00 0.00 55.97 57.54 1u1y s LYS 66 Cb -0.14 -3.56 -0.22 0.00 -1.51 0.00 0.00 37.83 32.40 1u1y s LYS 66 CO 0.18 -0.34 0.10 0.28 -0.36 0.00 0.00 175.35 175.20 1u1y n VAL 67 N 4.68 1.51 -1.68 4.02 0.31 -1.26 -4.69 118.33 121.22 1u1y n VAL 67 Ca 0.07 -0.73 -0.45 0.00 -0.01 0.00 0.00 64.34 63.22 1u1y n VAL 67 Cb 0.49 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.34 1u1y n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u1y n ALA 68 N -2.92 1.48 -1.24 3.52 0.00 -1.26 -1.25 120.51 118.83 1u1y n ALA 68 Ca -0.35 0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1u1y n ALA 68 Cb 1.07 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 1u1y n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u1y n THR 69 N 4.61 0.00 -2.03 0.00 -2.24 -1.26 -5.00 114.28 108.36 1u1y n THR 69 Ca 0.20 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.63 1u1y n THR 69 Cb 0.33 -1.16 0.02 0.00 -2.10 0.00 0.00 70.33 67.42 1u1y n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1u1y s GLN 70 N -2.44 3.11 -0.36 -0.78 0.74 -0.38 -5.02 119.66 114.53 1u1y s GLN 70 Ca 0.00 1.50 0.01 0.00 0.05 0.00 0.00 55.36 56.91 1u1y s GLN 70 Cb 0.00 -1.98 0.10 0.00 1.10 0.00 0.00 33.01 32.22 1u1y s GLN 70 CO 0.00 -1.02 0.09 0.99 -0.55 0.00 0.00 175.29 174.80 1u1y s THR 71 N -2.05 2.71 -0.09 -0.34 2.01 -1.26 -5.07 115.64 111.54 1u1y s THR 71 Ca 0.70 -2.10 -0.36 0.00 0.31 0.00 0.00 61.69 60.23 1u1y s THR 71 Cb -0.22 -2.88 -0.14 0.00 0.01 0.00 0.00 72.50 69.28 1u1y s THR 71 CO 0.34 -0.55 1.74 0.52 -0.69 0.00 0.00 174.62 175.98 1u1y n VAL 72 N 4.42 0.35 -0.98 3.82 0.31 -1.26 -0.90 118.33 124.10 1u1y n VAL 72 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1u1y n VAL 72 Cb 0.42 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1u1y n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u1y n GLY 73 N 4.00 0.73 3.97 2.92 0.00 -1.26 -5.03 105.19 110.52 1u1y n GLY 73 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1u1y n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u1y s GLY 74 N -2.00 1.79 -0.48 -0.02 0.00 -0.08 -5.05 107.32 101.47 1u1y s GLY 74 Ca 0.00 -1.29 -0.19 0.00 0.00 0.00 0.00 44.72 43.24 1u1y s GLY 74 CO 0.00 -0.93 0.62 0.14 0.00 0.00 0.00 173.10 172.93 1u1y s VAL 75 N -2.94 4.86 -0.27 1.40 1.01 -1.26 -4.99 120.40 118.22 1u1y s VAL 75 Ca 0.59 -0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1u1y s VAL 75 Cb -0.10 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1u1y s VAL 75 CO 0.41 -0.73 0.03 -1.61 0.00 0.00 0.00 175.10 173.20 1u1y s GLU 76 N 2.68 3.15 0.08 2.72 2.02 -1.26 -5.09 118.70 123.00 1u1y s GLU 76 Ca 0.17 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.43 1u1y s GLU 76 Cb -0.18 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1u1y s GLU 76 CO 0.14 -0.37 -0.19 -0.51 0.02 0.00 0.00 175.26 174.35 1u1y s LEU 77 N 1.48 2.26 0.39 1.80 2.01 -1.26 -4.08 118.68 121.28 1u1y s LEU 77 Ca 0.03 -0.63 -0.24 0.00 0.01 0.00 0.00 54.13 53.31 1u1y s LEU 77 Cb -0.16 -0.80 -0.09 0.00 0.01 0.00 0.00 46.19 45.14 1u1y s LEU 77 CO 0.00 0.05 1.01 -2.16 1.01 0.00 0.00 176.35 176.26 1u1y s PRO 78 N -1.69 4.24 0.34 1.29 0.04 -1.26 -5.02 135.00 132.95 1u1y s PRO 78 Ca 0.04 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.57 1u1y s PRO 78 Cb -0.10 -2.52 0.78 0.00 0.04 0.00 0.00 34.50 32.70 1u1y s PRO 78 CO 0.03 -0.05 1.86 0.28 0.04 0.00 0.00 177.00 179.16 1u1y h VAL 79 N 2.20 0.85 0.00 -0.36 2.07 -2.00 -1.54 116.25 117.46 1u1y h VAL 79 Ca -0.48 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1u1y h VAL 79 Cb 1.21 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1u1y h VAL 79 CO 0.62 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 178.33 1u1y h ALA 80 N 1.59 1.32 0.00 1.67 0.00 -1.93 -1.96 119.26 119.95 1u1y h ALA 80 Ca 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1u1y h ALA 80 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1u1y h ALA 80 CO -0.21 0.03 -0.32 0.00 0.00 0.00 0.00 179.25 178.75 1u1y n ALA 81 N -2.24 2.63 -0.37 0.00 0.00 -0.58 -3.98 120.51 115.97 1u1y n ALA 81 Ca -0.03 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1u1y n ALA 81 Cb 0.12 -1.32 0.16 0.00 0.00 0.00 0.00 19.45 18.41 1u1y n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1u1y n TRP 82 N -2.16 0.52 -3.84 0.00 7.02 -0.74 -4.93 117.44 113.32 1u1y n TRP 82 Ca 0.04 -0.60 -0.12 0.00 -1.02 0.00 0.00 57.50 55.81 1u1y n TRP 82 Cb 0.43 -0.10 -0.11 0.00 -2.42 0.00 0.00 31.31 29.12 1u1y n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1u1y s ARG 83 N -1.46 0.39 -0.04 -0.99 0.52 -1.19 -1.35 118.95 114.82 1u1y s ARG 83 Ca 0.26 -0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.38 1u1y s ARG 83 Cb 0.16 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.77 1u1y s ARG 83 CO 0.12 -0.08 -0.13 -1.12 0.02 0.00 0.00 175.30 174.12 1u1y s SER 84 N -0.77 4.18 -0.07 0.23 0.01 -0.34 -4.93 113.70 112.00 1u1y s SER 84 Ca -0.09 -0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.05 1u1y s SER 84 Cb -0.05 -0.91 -0.00 0.00 0.21 0.00 0.00 66.02 65.27 1u1y s SER 84 CO 0.01 0.34 -0.22 -0.31 0.41 0.00 0.00 173.24 173.47 1u1y s TYR 85 N -0.78 2.29 -0.14 2.43 2.02 -1.26 -1.62 117.35 120.28 1u1y s TYR 85 Ca 0.12 -0.80 0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1u1y s TYR 85 Cb -0.11 -1.53 -0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1u1y s TYR 85 CO 0.02 -0.30 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.37 1u1y s LEU 86 N 0.14 2.45 -0.16 -1.29 2.96 0.17 -5.00 118.68 117.95 1u1y s LEU 86 Ca -0.11 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 1u1y s LEU 86 Cb -0.15 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1u1y s LEU 86 CO 0.06 0.11 -0.19 0.21 -1.32 0.00 0.00 176.35 175.22 1u1y s ASN 87 N 0.64 3.00 -0.05 3.68 3.84 -1.26 -1.63 114.94 123.17 1u1y s ASN 87 Ca -0.09 -0.59 0.05 0.00 0.21 0.00 0.00 52.86 52.44 1u1y s ASN 87 Cb -0.16 -1.39 -0.01 0.00 -0.55 0.00 0.00 41.25 39.14 1u1y s ASN 87 CO 0.02 0.02 -0.19 -0.04 -2.79 0.00 0.00 177.10 174.12 1u1y s MET 88 N 1.14 1.95 -0.09 0.43 -1.94 0.43 -5.01 119.30 116.20 1u1y s MET 88 Ca 0.00 -0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 1u1y s MET 88 Cb -0.14 -1.69 0.03 0.00 2.01 0.00 0.00 34.83 35.04 1u1y s MET 88 CO -0.08 0.28 -0.02 -1.21 -0.01 0.00 0.00 175.02 173.98 1u1y s GLU 89 N -0.02 0.90 -0.25 2.03 2.02 -1.26 -0.74 118.70 121.38 1u1y s GLU 89 Ca -0.03 -0.05 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 1u1y s GLU 89 Cb -0.12 -1.26 0.01 0.00 0.10 0.00 0.00 34.13 32.86 1u1y s GLU 89 CO 0.02 -0.32 -0.04 -1.17 0.02 0.00 0.00 175.26 173.78 1u1y s LEU 90 N 1.88 3.17 -0.25 1.80 2.96 -0.33 -4.96 118.68 122.94 1u1y s LEU 90 Ca 0.04 -0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 53.16 1u1y s LEU 90 Cb -0.13 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1u1y s LEU 90 CO -0.06 -0.10 0.13 -0.89 -1.32 0.00 0.00 176.35 174.11 1u1y s THR 91 N 1.39 4.94 -0.18 3.68 2.01 -1.26 -0.59 115.64 125.64 1u1y s THR 91 Ca 0.02 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1u1y s THR 91 Cb -0.16 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.06 1u1y s THR 91 CO -0.03 0.31 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.46 1u1y s ILE 92 N 1.47 1.63 0.45 1.82 1.01 -0.11 -4.97 121.20 122.50 1u1y s ILE 92 Ca 0.06 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 1u1y s ILE 92 Cb -0.15 -1.62 -0.09 0.00 0.01 0.00 0.00 42.46 40.61 1u1y s ILE 92 CO 0.07 0.31 1.18 -2.65 0.00 0.00 0.00 174.94 173.84 1u1y n PRO 93 N 4.72 1.65 0.00 2.79 -0.02 -1.26 -1.37 135.00 141.50 1u1y n PRO 93 Ca -0.16 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1u1y n PRO 93 Cb 0.48 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1u1y n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1u1y n ILE 94 N -0.51 1.42 1.12 4.25 -5.35 0.63 -1.64 119.36 119.27 1u1y n ILE 94 Ca 0.08 0.35 0.13 0.00 -0.27 0.00 0.00 62.75 63.04 1u1y n ILE 94 Cb 0.41 -1.35 0.34 0.00 -1.74 0.00 0.00 39.64 37.29 1u1y n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1u1y n PHE 95 N -1.36 0.00 -1.97 4.28 3.72 -1.26 -4.90 117.46 115.97 1u1y n PHE 95 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1u1y n PHE 95 Cb 0.00 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 1u1y n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u1y s ALA 96 N -2.78 3.69 0.80 4.37 0.00 -0.65 -5.01 121.76 122.17 1u1y s ALA 96 Ca 0.17 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 1u1y s ALA 96 Cb 0.18 -3.66 0.15 0.00 0.00 0.00 0.00 23.12 19.79 1u1y s ALA 96 CO 0.61 -0.99 1.10 0.95 0.00 0.00 0.00 175.76 177.43 1u1y s THR 97 N 2.21 2.09 0.28 0.00 -4.23 -1.26 -4.87 115.64 109.87 1u1y s THR 97 Ca 0.72 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1u1y s THR 97 Cb -0.40 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 70.96 1u1y s THR 97 CO 0.31 0.00 1.89 0.78 -0.54 0.00 0.00 174.62 177.06 1u1y h ASN 98 N -0.89 0.90 -0.30 3.99 4.21 -1.99 -1.11 115.58 120.40 1u1y h ASN 98 Ca -0.39 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.01 1u1y h ASN 98 Cb 1.26 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 1u1y h ASN 98 CO 0.40 0.76 0.12 0.28 -1.29 0.00 0.00 177.43 177.69 1u1y h SER 99 N 0.99 0.41 -0.50 5.81 0.02 -1.99 -0.34 113.55 117.96 1u1y h SER 99 Ca 0.25 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1u1y h SER 99 Cb 0.09 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1u1y h SER 99 CO -0.03 0.47 0.20 0.44 -1.14 0.00 0.00 176.83 176.76 1u1y h ASP 100 N 0.33 0.22 0.21 3.07 3.32 -1.80 -1.57 116.42 120.21 1u1y h ASP 100 Ca 0.10 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1u1y h ASP 100 Cb 0.19 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1u1y h ASP 100 CO -0.01 0.16 -0.21 0.00 -1.72 0.00 0.00 179.24 177.46 1u1y h GLU 102 N 0.01 0.98 -0.78 0.00 5.08 -0.11 -1.95 114.58 117.81 1u1y h GLU 102 Ca -0.00 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.90 1u1y h GLU 102 Cb 0.39 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1u1y h GLU 102 CO 0.03 1.09 0.28 1.25 -1.00 0.00 0.00 179.01 180.65 1u1y h LEU 103 N 0.83 1.10 -0.80 1.33 5.85 -0.78 -0.96 115.31 121.88 1u1y h LEU 103 Ca 0.11 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1u1y h LEU 103 Cb 0.77 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1u1y h LEU 103 CO 0.06 0.99 0.44 0.40 -0.34 0.00 0.00 178.44 179.99 1u1y h ILE 104 N 1.14 1.24 -0.61 4.05 2.04 -1.15 -0.77 117.51 123.45 1u1y h ILE 104 Ca 0.25 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1u1y h ILE 104 Cb 0.26 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1u1y h ILE 104 CO -0.02 0.27 0.07 0.58 0.00 0.00 0.00 178.15 179.06 1u1y h VAL 105 N 1.12 1.26 -0.82 1.67 2.07 -0.86 -2.34 116.25 118.34 1u1y h VAL 105 Ca 0.28 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1u1y h VAL 105 Cb 0.04 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1u1y h VAL 105 CO -0.04 0.38 0.51 0.11 0.02 0.00 0.00 177.57 178.55 1u1y h LYS 106 N 0.93 1.11 -0.91 1.57 1.57 -0.60 -0.82 116.57 119.42 1u1y h LYS 106 Ca 0.18 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1u1y h LYS 106 Cb 0.46 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1u1y h LYS 106 CO 0.02 0.77 0.54 0.00 -0.57 0.00 0.00 179.45 180.21 1u1y h ALA 107 N 1.28 1.16 -0.58 3.86 0.00 -0.88 0.83 119.26 124.92 1u1y h ALA 107 Ca 0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1u1y h ALA 107 Cb -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.33 1u1y h ALA 107 CO -0.06 0.62 0.03 0.52 0.00 0.00 0.00 179.25 180.37 1u1y h MET 108 N 1.26 0.99 -0.45 0.00 2.86 -0.82 -0.93 114.93 117.83 1u1y h MET 108 Ca 0.33 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1u1y h MET 108 Cb -0.04 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 1u1y h MET 108 CO -0.06 0.95 -0.05 1.96 1.06 0.00 0.00 176.91 180.78 1u1y h GLN 109 N 0.91 0.83 -0.72 1.72 4.20 -0.54 -3.06 115.11 118.46 1u1y h GLN 109 Ca 0.17 -0.29 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1u1y h GLN 109 Cb 0.49 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1u1y h GLN 109 CO 0.02 0.91 0.21 0.78 -0.67 0.00 0.00 178.83 180.08 1u1y h GLY 110 N 0.67 1.21 0.72 3.46 0.00 -0.59 -1.77 103.07 106.77 1u1y h GLY 110 Ca 0.12 -0.73 0.11 0.00 0.00 0.00 0.00 47.33 46.83 1u1y h GLY 110 CO 0.03 0.68 0.55 -2.00 0.00 0.00 0.00 176.54 175.80 1u1y h LEU 111 N 1.07 0.69 -2.54 3.11 5.85 -1.07 -2.72 115.31 119.69 1u1y h LEU 111 Ca 0.23 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1u1y h LEU 111 Cb 0.33 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1u1y h LEU 111 CO -0.00 0.40 0.00 0.18 -0.34 0.00 0.00 178.44 178.67 1u1y n LEU 112 N -4.53 3.32 -4.74 2.25 4.77 -1.05 -4.45 117.00 112.58 1u1y n LEU 112 Ca 0.15 -1.76 -0.39 0.00 -0.03 0.00 0.00 56.01 53.98 1u1y n LEU 112 Cb 0.36 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1u1y n LEU 112 CO 0.31 0.78 0.97 1.17 -1.33 0.00 0.00 177.39 179.30 1u1y n LYS 113 N 1.18 1.86 -1.68 3.23 4.81 -0.69 -4.81 118.16 122.06 1u1y n LYS 113 Ca 0.17 0.67 -0.44 0.00 -0.87 0.00 0.00 58.31 57.85 1u1y n LYS 113 Cb 0.53 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.01 1u1y n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1u1y n ASP 114 N -0.56 2.69 0.00 3.14 9.92 -1.26 -2.07 116.55 128.41 1u1y n ASP 114 Ca 0.08 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.51 1u1y n ASP 114 Cb 0.43 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1u1y n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u1y n GLY 115 N 1.70 2.06 3.86 0.44 0.00 -1.26 -5.05 105.19 106.94 1u1y n GLY 115 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1u1y n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u1y s ASN 116 N -2.17 5.97 0.09 1.61 0.01 -0.88 -4.88 114.94 114.69 1u1y s ASN 116 Ca 0.00 1.40 -0.21 0.00 -0.71 0.00 0.00 52.86 53.33 1u1y s ASN 116 Cb 0.00 -2.38 -0.07 0.00 0.41 0.00 0.00 41.25 39.21 1u1y s ASN 116 CO 0.00 -1.04 1.36 -0.65 -1.51 0.00 0.00 177.10 175.26 1u1y h PRO 117 N -0.44 -0.23 0.23 -0.60 0.11 -1.89 -2.01 132.00 127.17 1u1y h PRO 117 Ca -0.44 0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1u1y h PRO 117 Cb 1.20 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1u1y h PRO 117 CO 0.62 -0.15 -0.44 0.82 -0.21 0.00 0.00 178.00 178.64 1u1y h ILE 118 N -0.24 0.13 -0.50 4.15 1.08 -1.95 0.27 117.51 120.45 1u1y h ILE 118 Ca 0.05 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1u1y h ILE 118 Cb 0.38 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 1u1y h ILE 118 CO -0.41 0.00 0.33 1.55 -0.69 0.00 0.00 178.15 178.93 1u1y h PRO 119 N -0.75 0.60 -0.58 2.37 0.13 -1.77 -1.48 132.00 130.51 1u1y h PRO 119 Ca -0.00 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1u1y h PRO 119 Cb 0.73 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1u1y h PRO 119 CO -0.19 0.39 0.09 0.77 -0.23 0.00 0.00 178.00 178.84 1u1y h SER 120 N 0.61 0.93 0.11 1.44 0.02 -0.84 -1.29 113.55 114.54 1u1y h SER 120 Ca 0.19 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1u1y h SER 120 Cb 0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1u1y h SER 120 CO -0.05 0.96 -0.05 0.00 -1.14 0.00 0.00 176.83 176.55 1u1y h ALA 121 N 1.01 -0.15 -0.51 3.77 0.00 -0.35 -2.33 119.26 120.70 1u1y h ALA 121 Ca 0.18 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1u1y h ALA 121 Cb 0.43 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1u1y h ALA 121 CO 0.01 -0.45 0.23 0.82 0.00 0.00 0.00 179.25 179.86 1u1y h ILE 122 N -0.42 0.90 0.00 0.00 2.04 -1.25 -1.23 117.51 117.55 1u1y h ILE 122 Ca -0.02 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1u1y h ILE 122 Cb 0.35 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1u1y h ILE 122 CO 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.18 1u1y h ALA 123 N 1.30 1.10 -0.55 1.87 0.00 -1.21 -2.56 119.26 119.21 1u1y h ALA 123 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u1y h ALA 123 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1u1y h ALA 123 CO -0.19 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1u1y n ALA 124 N -2.18 3.60 -4.01 0.00 0.00 -0.69 -4.93 120.51 112.31 1u1y n ALA 124 Ca -0.01 -1.90 -0.32 0.00 0.00 0.00 0.00 53.44 51.21 1u1y n ALA 124 Cb 0.27 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1u1y n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u1y n ASN 125 N 0.59 -4.17 -3.18 0.00 3.02 -0.96 -4.93 115.26 105.63 1u1y n ASN 125 Ca 0.27 -0.85 -0.19 0.00 -0.03 0.00 0.00 54.58 53.78 1u1y n ASN 125 Cb 1.09 -3.36 -0.08 0.00 -0.61 0.00 0.00 39.78 36.83 1u1y n ASN 125 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1u1y n SER 126 N -2.72 -0.71 0.00 6.41 3.41 -0.55 -5.05 113.62 114.41 1u1y n SER 126 Ca 0.06 -3.14 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1u1y n SER 126 Cb 0.51 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 1u1y n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u1y n GLY 127 N -0.62 3.41 3.88 5.00 0.00 -1.26 -4.19 105.19 111.41 1u1y n GLY 127 Ca 0.08 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1u1y n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1y s ILE 128 N 2.39 5.48 0.00 -0.61 -1.09 -1.26 -4.80 121.20 121.30 1u1y s ILE 128 Ca 0.00 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1u1y s ILE 128 Cb 0.00 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1u1y s ILE 128 CO 0.00 0.59 0.00 0.00 -1.23 0.00 0.00 174.94 174.30