#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1y s SER 2 N 0.00 -0.21 0.00 0.00 0.15 -1.26 -5.04 113.70 107.34 1u1y s SER 2 Ca 0.00 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.24 1u1y s SER 2 Cb 0.00 0.92 0.41 0.00 -1.71 0.00 0.00 66.02 65.63 1u1y s SER 2 CO 0.00 -0.06 1.38 -0.46 1.20 0.00 0.00 173.24 175.31 1u1y n ASN 3 N 2.95 2.71 -3.98 5.45 0.23 -1.26 -4.65 115.26 116.72 1u1y n ASN 3 Ca -0.16 -1.89 -0.42 0.00 -0.53 0.00 0.00 54.58 51.57 1u1y n ASN 3 Cb 0.57 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 1u1y n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1u1y n PHE 4 N 1.10 3.70 -4.57 -2.53 -0.00 -1.26 -4.91 117.46 108.99 1u1y n PHE 4 Ca 0.16 -2.94 -0.26 0.00 -0.00 0.00 0.00 57.45 54.40 1u1y n PHE 4 Cb 0.54 -2.37 -0.11 0.00 -0.00 0.00 0.00 39.48 37.54 1u1y n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1u1y s THR 5 N 2.45 1.94 0.51 -2.13 -4.23 -1.26 -4.84 115.64 108.08 1u1y s THR 5 Ca 0.46 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 1u1y s THR 5 Cb 0.10 -2.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 1u1y s THR 5 CO -0.03 -0.07 0.97 0.00 -0.54 0.00 0.00 174.62 174.95 1u1y s GLN 6 N -3.71 3.91 0.15 3.99 -2.07 -1.26 -4.62 119.66 116.05 1u1y s GLN 6 Ca 0.34 0.90 -0.14 0.00 -1.82 0.00 0.00 55.36 54.64 1u1y s GLN 6 Cb 0.07 -2.16 0.02 0.00 -1.09 0.00 0.00 33.01 29.86 1u1y s GLN 6 CO 0.17 -0.26 0.38 -0.59 -1.32 0.00 0.00 175.29 173.67 1u1y s PHE 7 N -2.63 0.00 -0.23 9.60 -0.71 -0.69 -5.00 117.98 118.32 1u1y s PHE 7 Ca 0.58 -0.35 -0.19 0.00 -1.04 0.00 0.00 56.93 55.93 1u1y s PHE 7 Cb -0.10 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 1u1y s PHE 7 CO 0.32 -0.75 0.53 0.54 -1.34 0.00 0.00 175.22 174.53 1u1y s VAL 8 N -3.87 5.07 -0.06 -2.49 0.11 -1.26 -0.82 120.40 117.08 1u1y s VAL 8 Ca 0.08 0.95 -0.23 0.00 -2.93 0.00 0.00 61.98 59.85 1u1y s VAL 8 Cb 0.02 -3.85 -0.30 0.00 -1.53 0.00 0.00 36.38 30.71 1u1y s VAL 8 CO -0.07 0.12 0.88 0.25 -3.33 0.00 0.00 175.10 172.96 1u1y h LEU 9 N 8.42 0.39 -7.95 2.54 5.85 -1.04 -3.43 115.31 120.09 1u1y h LEU 9 Ca -0.31 -0.95 -0.68 0.00 0.84 0.00 0.00 57.88 56.78 1u1y h LEU 9 Cb 1.14 -0.13 -0.35 0.00 0.37 0.00 0.00 40.66 41.70 1u1y h LEU 9 CO 0.74 1.32 -0.72 -0.69 -0.34 0.00 0.00 178.44 178.74 1u1y s VAL 10 N -2.43 2.72 -0.42 1.05 1.01 -0.87 -4.99 120.40 116.47 1u1y s VAL 10 Ca -0.14 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.02 1u1y s VAL 10 Cb 0.00 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1u1y s VAL 10 CO 0.81 -0.16 0.83 -0.62 0.00 0.00 0.00 175.10 175.96 1u1y s ASP 11 N 1.23 6.50 -0.25 3.32 2.15 -1.26 -1.40 116.67 126.96 1u1y s ASP 11 Ca -0.04 0.15 0.11 0.00 0.43 0.00 0.00 52.55 53.20 1u1y s ASP 11 Cb -0.20 -2.41 0.47 0.00 -0.30 0.00 0.00 42.92 40.48 1u1y s ASP 11 CO -0.03 -0.89 1.37 0.59 -0.17 0.00 0.00 175.17 176.04 1u1y n ASN 12 N 6.75 2.35 -2.48 -0.34 3.02 -1.26 -4.97 115.26 118.32 1u1y n ASN 12 Ca 0.04 -3.72 -0.09 0.00 -0.03 0.00 0.00 54.58 50.79 1u1y n ASN 12 Cb 0.48 -0.59 0.04 0.00 -0.61 0.00 0.00 39.78 39.11 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 4.63 7.41 0.00 -1.26 -3.69 105.19 110.94 1u1y n GLY 13 Ca 0.27 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.33 1.06 3.00 -0.02 0.00 -1.26 -4.88 105.19 101.76 1u1y n GLY 14 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1u1y n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1y s THR 15 N -0.28 1.68 0.00 2.61 -4.23 -1.24 -4.58 115.64 109.59 1u1y s THR 15 Ca 0.00 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1u1y s THR 15 Cb 0.00 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1u1y s THR 15 CO 0.00 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 1u1y n GLY 16 N 4.67 0.83 3.73 3.99 0.00 -1.26 -4.72 105.19 112.43 1u1y n GLY 16 Ca -0.15 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.13 6.81 -0.49 1.61 1.11 -1.26 -4.66 116.67 117.66 1u1y s ASP 17 Ca 0.00 2.44 -0.16 0.00 0.18 0.00 0.00 52.55 55.00 1u1y s ASP 17 Cb 0.00 -2.60 0.07 0.00 1.07 0.00 0.00 42.92 41.46 1u1y s ASP 17 CO 0.00 -0.62 0.46 -0.69 1.18 0.00 0.00 175.17 175.50 1u1y s VAL 18 N 0.51 5.13 -0.04 -1.27 1.01 -0.49 -4.98 120.40 120.27 1u1y s VAL 18 Ca 0.61 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1u1y s VAL 18 Cb -0.38 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1u1y s VAL 18 CO 0.36 -0.66 0.14 0.28 0.00 0.00 0.00 175.10 175.22 1u1y s THR 19 N 1.91 5.21 0.01 3.92 -1.32 -1.26 -0.37 115.64 123.74 1u1y s THR 19 Ca 0.07 -0.14 0.08 0.00 -1.21 0.00 0.00 61.69 60.49 1u1y s THR 19 Cb -0.23 -3.37 -0.02 0.00 -1.51 0.00 0.00 72.50 67.37 1u1y s THR 19 CO 0.08 0.42 -0.24 0.54 -2.21 0.00 0.00 174.62 173.21 1u1y s VAL 20 N -1.19 1.93 0.12 5.08 0.11 0.00 -4.24 120.40 122.21 1u1y s VAL 20 Ca 0.22 -1.15 0.06 0.00 -2.93 0.00 0.00 61.98 58.18 1u1y s VAL 20 Cb -0.12 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 1u1y s VAL 20 CO 0.13 0.44 -0.14 0.00 -3.33 0.00 0.00 175.10 172.20 1u1y s ALA 21 N -0.67 1.47 0.22 1.54 0.00 -0.67 -1.70 121.76 121.96 1u1y s ALA 21 Ca 0.10 -1.30 -0.32 0.00 0.00 0.00 0.00 51.96 50.44 1u1y s ALA 21 Cb -0.09 -0.06 -0.14 0.00 0.00 0.00 0.00 23.12 22.82 1u1y s ALA 21 CO 0.00 0.08 1.35 -2.30 0.00 0.00 0.00 175.76 174.90 1u1y n PRO 22 N 0.48 1.82 0.00 0.00 -0.02 -1.26 -1.37 135.00 134.65 1u1y n PRO 22 Ca -0.15 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1u1y n PRO 22 Cb 0.57 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 2.15 0.03 -3.61 2.55 3.41 0.48 -4.84 113.62 113.79 1u1y n SER 23 Ca 0.13 -0.05 -0.06 0.00 -0.26 0.00 0.00 58.87 58.63 1u1y n SER 23 Cb 0.30 0.10 -0.04 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 -0.10 -0.19 0.00 4.04 3.84 -1.18 -4.98 114.94 116.36 1u1y s ASN 24 Ca 0.00 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.26 1u1y s ASN 24 Cb 0.00 0.16 0.00 0.00 -0.55 0.00 0.00 41.25 40.86 1u1y s ASN 24 CO 0.00 -0.19 0.68 0.33 -2.79 0.00 0.00 177.10 175.13 1u1y n PHE 25 N 0.56 0.00 -1.76 0.43 -0.00 -1.25 -0.38 117.46 115.06 1u1y n PHE 25 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.99 1u1y n PHE 25 Cb 0.58 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 40.05 1u1y n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1u1y n ALA 26 N 0.00 2.53 -2.82 3.13 0.00 -1.26 -2.57 120.51 119.52 1u1y n ALA 26 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 1u1y n ALA 26 Cb 0.58 -2.45 0.02 0.00 0.00 0.00 0.00 19.45 17.60 1u1y n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u1y n ASN 27 N 1.65 -6.04 -0.61 0.00 3.02 -1.26 -2.79 115.26 109.23 1u1y n ASN 27 Ca 0.06 -0.20 -0.08 0.00 -0.03 0.00 0.00 54.58 54.33 1u1y n ASN 27 Cb 0.37 -4.92 -0.03 0.00 -0.61 0.00 0.00 39.78 34.59 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 -1.37 0.89 3.21 7.41 0.00 -1.06 -4.97 105.19 109.30 1u1y n GLY 28 Ca -0.15 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.97 3.49 0.13 1.61 1.01 -1.12 -4.66 120.40 118.88 1u1y s VAL 29 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 1u1y s VAL 29 Cb 0.00 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1u1y s VAL 29 CO 0.00 -0.28 1.26 0.00 0.00 0.00 0.00 175.10 176.08 1u1y s ALA 30 N 1.31 3.47 0.02 5.51 0.00 -0.32 -3.97 121.76 127.78 1u1y s ALA 30 Ca -0.01 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.99 1u1y s ALA 30 Cb -0.21 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1u1y s ALA 30 CO 0.00 -0.47 -0.16 -2.00 0.00 0.00 0.00 175.76 173.12 1u1y s GLU 31 N 0.55 1.19 0.03 0.00 2.12 0.49 -1.12 118.70 121.98 1u1y s GLU 31 Ca 0.58 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 55.24 1u1y s GLU 31 Cb -0.33 -1.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.83 1u1y s GLU 31 CO 0.33 0.32 -0.13 -1.58 -0.54 0.00 0.00 175.26 173.65 1u1y s TRP 32 N -0.62 1.16 0.02 5.30 0.51 0.52 -0.39 118.94 125.44 1u1y s TRP 32 Ca 0.05 -0.34 -0.06 0.00 -2.12 0.00 0.00 56.10 53.63 1u1y s TRP 32 Cb -0.07 -0.69 -0.00 0.00 -0.81 0.00 0.00 33.47 31.89 1u1y s TRP 32 CO 0.01 0.02 0.11 0.96 -0.51 0.00 0.00 176.95 177.54 1u1y s ILE 33 N -0.81 0.11 0.69 2.03 -4.36 -0.47 -1.47 121.20 116.91 1u1y s ILE 33 Ca 0.01 -0.88 -0.11 0.00 -0.26 0.00 0.00 60.65 59.41 1u1y s ILE 33 Cb -0.08 -0.64 0.00 0.00 1.25 0.00 0.00 42.46 43.00 1u1y s ILE 33 CO 0.01 -0.49 1.06 -0.94 0.24 0.00 0.00 174.94 174.82 1u1y s SER 34 N -1.74 5.51 -0.90 4.36 1.04 -0.88 -1.68 113.70 119.41 1u1y s SER 34 Ca -0.10 1.51 -0.19 0.00 0.48 0.00 0.00 55.95 57.65 1u1y s SER 34 Cb -0.05 -2.42 -0.12 0.00 0.10 0.00 0.00 66.02 63.54 1u1y s SER 34 CO -0.01 -1.35 2.00 -0.24 0.98 0.00 0.00 173.24 174.63 1u1y n SER 35 N -3.06 3.04 -3.20 7.02 2.88 -1.26 -4.70 113.62 114.34 1u1y n SER 35 Ca 0.07 -2.67 -0.19 0.00 -1.33 0.00 0.00 58.87 54.75 1u1y n SER 35 Cb 0.54 -1.20 -0.07 0.00 -0.75 0.00 0.00 64.21 62.73 1u1y n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1u1y n ASN 36 N 6.89 -0.20 -4.78 -3.46 4.13 -1.26 -5.08 115.26 111.50 1u1y n ASN 36 Ca 0.50 -3.01 -0.36 0.00 1.68 0.00 0.00 54.58 53.39 1u1y n ASN 36 Cb 0.37 1.40 -0.02 0.00 -1.54 0.00 0.00 39.78 39.99 1u1y n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1u1y s SER 37 N -3.18 6.22 0.63 6.41 1.04 -1.26 -4.78 113.70 118.78 1u1y s SER 37 Ca 0.32 2.15 0.31 0.00 0.48 0.00 0.00 55.95 59.22 1u1y s SER 37 Cb 0.02 -2.59 1.73 0.00 0.10 0.00 0.00 66.02 65.28 1u1y s SER 37 CO 0.23 -0.87 2.04 -0.09 0.98 0.00 0.00 173.24 175.53 1u1y h ARG 38 N 1.86 0.00 0.00 4.02 9.65 -1.97 0.40 114.38 128.34 1u1y h ARG 38 Ca -0.49 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1u1y h ARG 38 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1u1y h ARG 38 CO 0.60 0.00 -0.20 -1.13 2.80 0.00 0.00 179.97 182.04 1u1y n SER 39 N -3.36 0.45 0.00 -3.80 3.41 -1.26 -3.88 113.62 105.18 1u1y n SER 39 Ca 0.01 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1u1y n SER 39 Cb 0.37 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.83 0.85 -2.31 4.33 6.02 0.04 -3.88 117.38 120.60 1u1y n GLN 40 Ca 0.06 -0.87 -0.32 0.00 -0.01 0.00 0.00 57.00 55.85 1u1y n GLN 40 Cb 0.38 -0.91 -0.02 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.42 3.00 0.22 -1.58 0.00 -0.65 -4.84 121.76 117.49 1u1y s ALA 41 Ca 0.00 0.22 -0.24 0.00 0.00 0.00 0.00 51.96 51.94 1u1y s ALA 41 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1u1y s ALA 41 CO 0.00 -0.37 0.81 0.71 0.00 0.00 0.00 175.76 176.91 1u1y s TYR 42 N -2.60 3.80 -0.02 0.00 1.51 -1.26 -4.64 117.35 114.14 1u1y s TYR 42 Ca 0.60 1.62 0.04 0.00 -1.01 0.00 0.00 57.07 58.32 1u1y s TYR 42 Cb -0.11 -2.78 -0.01 0.00 -0.11 0.00 0.00 41.96 38.95 1u1y s TYR 42 CO 0.33 0.40 -0.14 0.21 -1.11 0.00 0.00 175.55 175.24 1u1y s LYS 43 N -1.57 1.23 -0.04 -0.62 2.20 -0.96 -2.08 119.74 117.90 1u1y s LYS 43 Ca 0.41 -0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1u1y s LYS 43 Cb -0.21 -1.16 0.03 0.00 -1.51 0.00 0.00 37.83 34.98 1u1y s LYS 43 CO 0.25 0.27 0.00 0.08 -0.36 0.00 0.00 175.35 175.59 1u1y s VAL 44 N -0.20 0.22 0.09 4.02 1.01 -0.54 -0.28 120.40 124.71 1u1y s VAL 44 Ca 0.03 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1u1y s VAL 44 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 1u1y s VAL 44 CO 0.00 0.18 -0.14 0.42 0.00 0.00 0.00 175.10 175.56 1u1y s THR 45 N 1.30 1.17 -0.02 3.92 -4.23 -0.15 -0.36 115.64 117.27 1u1y s THR 45 Ca -0.06 -1.44 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 1u1y s THR 45 Cb -0.13 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.50 1u1y s THR 45 CO -0.02 -0.29 0.27 0.00 -0.54 0.00 0.00 174.62 174.03 1u1y s SER 47 N -1.17 -0.62 0.05 0.00 1.04 -0.78 -1.17 113.70 111.05 1u1y s SER 47 Ca -0.12 0.84 0.08 0.00 0.48 0.00 0.00 55.95 57.23 1u1y s SER 47 Cb -0.05 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 1u1y s SER 47 CO 0.03 -0.46 -0.23 -0.69 0.98 0.00 0.00 173.24 172.88 1u1y s VAL 48 N -0.73 1.84 0.02 5.02 1.01 -1.26 -0.41 120.40 125.88 1u1y s VAL 48 Ca -0.06 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.50 1u1y s VAL 48 Cb -0.02 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1u1y s VAL 48 CO 0.06 0.26 0.31 0.00 0.00 0.00 0.00 175.10 175.72 1u1y s ARG 49 N -1.22 0.74 -1.32 2.72 1.70 -0.69 -4.99 118.95 115.90 1u1y s ARG 49 Ca 0.09 -0.35 -0.13 0.00 -0.47 0.00 0.00 55.73 54.87 1u1y s ARG 49 Cb -0.09 0.33 0.12 0.00 -0.57 0.00 0.00 34.95 34.73 1u1y s ARG 49 CO 0.02 -0.22 1.87 0.94 -1.08 0.00 0.00 175.30 176.82 1u1y n GLN 50 N 0.91 3.30 -0.32 3.89 -0.06 -1.26 -0.68 117.38 123.16 1u1y n GLN 50 Ca -0.20 -3.30 0.05 0.00 -2.00 0.00 0.00 57.00 51.54 1u1y n GLN 50 Cb 0.58 -3.13 0.13 0.00 -4.06 0.00 0.00 30.24 23.75 1u1y n GLN 50 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1u1y h SER 51 N 6.35 -0.82 -3.78 1.69 4.64 -1.86 -3.43 113.55 116.34 1u1y h SER 51 Ca 0.44 0.27 -0.29 0.00 -0.47 0.00 0.00 61.79 61.74 1u1y h SER 51 Cb 0.71 0.56 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1u1y h SER 51 CO 1.60 -0.30 -0.23 -0.24 -0.87 0.00 0.00 176.83 176.79 1u1y n SER 52 N -5.57 1.72 0.15 4.97 2.88 -1.12 -5.03 113.62 111.61 1u1y n SER 52 Ca 0.14 -2.06 -0.00 0.00 -1.33 0.00 0.00 58.87 55.62 1u1y n SER 52 Cb 0.47 0.37 0.21 0.00 -0.75 0.00 0.00 64.21 64.51 1u1y n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u1y h ALA 53 N 1.25 1.02 -0.15 -1.46 0.00 -2.03 -3.32 119.26 114.57 1u1y h ALA 53 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1u1y h ALA 53 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u1y h ALA 53 CO 0.28 0.71 0.00 1.04 0.00 0.00 0.00 179.25 181.28 1u1y n GLN 54 N -3.81 2.34 -3.46 0.00 6.02 -1.26 -5.01 117.38 112.20 1u1y n GLN 54 Ca -0.01 -2.51 -0.10 0.00 -0.01 0.00 0.00 57.00 54.36 1u1y n GLN 54 Cb 0.58 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 1u1y n GLN 54 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1u1y s ASN 55 N -2.06 -0.47 0.17 1.08 2.20 -1.25 -1.91 114.94 112.69 1u1y s ASN 55 Ca 0.32 0.02 0.08 0.00 -0.94 0.00 0.00 52.86 52.34 1u1y s ASN 55 Cb 0.26 0.49 -0.04 0.00 -2.00 0.00 0.00 41.25 39.96 1u1y s ASN 55 CO 0.07 -0.79 -0.05 -0.13 -2.94 0.00 0.00 177.10 173.26 1u1y s ARG 56 N -3.35 2.24 -0.09 3.55 0.52 -0.26 -2.81 118.95 118.75 1u1y s ARG 56 Ca 0.03 -1.16 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 1u1y s ARG 56 Cb -0.01 -2.28 0.02 0.00 0.52 0.00 0.00 34.95 33.20 1u1y s ARG 56 CO -0.10 0.45 -0.12 0.21 0.02 0.00 0.00 175.30 175.76 1u1y s LYS 57 N -2.80 1.86 -0.18 3.54 2.20 0.14 -1.01 119.74 123.48 1u1y s LYS 57 Ca 0.26 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.34 1u1y s LYS 57 Cb -0.09 -1.61 -0.05 0.00 -1.51 0.00 0.00 37.83 34.57 1u1y s LYS 57 CO 0.17 -0.06 0.13 0.71 -0.36 0.00 0.00 175.35 175.94 1u1y s TYR 58 N 0.96 3.43 -0.23 4.03 1.51 0.11 -1.70 117.35 125.47 1u1y s TYR 58 Ca -0.08 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 1u1y s TYR 58 Cb -0.15 -2.11 0.05 0.00 -0.11 0.00 0.00 41.96 39.64 1u1y s TYR 58 CO -0.00 0.37 -0.14 0.99 -1.11 0.00 0.00 175.55 175.66 1u1y s THR 59 N 0.08 2.08 -0.02 -0.71 2.01 0.45 -1.05 115.64 118.48 1u1y s THR 59 Ca 0.09 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.79 1u1y s THR 59 Cb -0.11 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1u1y s THR 59 CO -0.01 0.16 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.27 1u1y s ILE 60 N 1.19 2.73 -0.00 1.82 1.01 -0.33 -1.86 121.20 125.75 1u1y s ILE 60 Ca -0.04 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.70 1u1y s ILE 60 Cb -0.17 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1u1y s ILE 60 CO -0.08 0.53 -0.06 -0.75 0.00 0.00 0.00 174.94 174.58 1u1y s LYS 61 N -0.85 0.49 -0.02 2.79 2.20 -0.31 -1.06 119.74 122.99 1u1y s LYS 61 Ca 0.12 -0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1u1y s LYS 61 Cb -0.10 -0.47 0.01 0.00 -1.51 0.00 0.00 37.83 35.76 1u1y s LYS 61 CO 0.01 0.13 -0.02 0.08 -0.36 0.00 0.00 175.35 175.19 1u1y s VAL 62 N -0.19 0.28 -0.17 4.02 1.01 -0.46 -0.97 120.40 123.92 1u1y s VAL 62 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1u1y s VAL 62 Cb -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.08 1u1y s VAL 62 CO -0.00 0.12 -0.15 -1.61 0.00 0.00 0.00 175.10 173.46 1u1y s GLU 63 N 0.45 2.41 -0.30 2.72 2.02 0.61 -1.00 118.70 125.62 1u1y s GLU 63 Ca -0.05 -0.68 -0.08 0.00 0.02 0.00 0.00 54.97 54.18 1u1y s GLU 63 Cb -0.08 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.87 1u1y s GLU 63 CO -0.01 -0.27 0.11 0.08 0.02 0.00 0.00 175.26 175.19 1u1y s VAL 64 N 1.42 4.21 0.30 2.63 1.01 -0.50 -2.28 120.40 127.19 1u1y s VAL 64 Ca 0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1u1y s VAL 64 Cb -0.14 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 1u1y s VAL 64 CO -0.11 0.09 0.60 -2.16 0.00 0.00 0.00 175.10 173.52 1u1y s PRO 65 N 1.55 3.72 -0.61 2.72 0.04 -1.26 -0.60 135.00 140.55 1u1y s PRO 65 Ca 0.04 0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 1u1y s PRO 65 Cb -0.17 -2.59 0.16 0.00 0.04 0.00 0.00 34.50 31.94 1u1y s PRO 65 CO 0.04 0.19 0.44 0.21 0.04 0.00 0.00 177.00 177.92 1u1y s LYS 66 N -3.40 2.61 0.39 4.56 2.47 -0.46 -4.98 119.74 120.93 1u1y s LYS 66 Ca 0.47 -2.37 -0.27 0.00 -1.56 0.00 0.00 55.97 52.24 1u1y s LYS 66 Cb -0.11 -3.81 -0.09 0.00 -1.46 0.00 0.00 37.83 32.36 1u1y s LYS 66 CO 0.27 -1.18 1.34 0.14 0.16 0.00 0.00 175.35 176.09 1u1y s VAL 67 N 0.23 2.49 0.22 4.02 -7.23 -1.26 0.62 120.40 119.49 1u1y s VAL 67 Ca 0.15 0.46 -0.16 0.00 -1.81 0.00 0.00 61.98 60.62 1u1y s VAL 67 Cb -0.20 -3.28 0.02 0.00 0.56 0.00 0.00 36.38 33.48 1u1y s VAL 67 CO -0.04 0.08 0.53 0.00 -0.31 0.00 0.00 175.10 175.36 1u1y s ALA 68 N -1.21 -0.73 -0.24 1.32 0.00 -0.58 -4.71 121.76 115.61 1u1y s ALA 68 Ca 0.55 -0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 1u1y s ALA 68 Cb -0.40 0.91 0.04 0.00 0.00 0.00 0.00 23.12 23.67 1u1y s ALA 68 CO 0.53 -0.85 -0.09 0.99 0.00 0.00 0.00 175.76 176.34 1u1y s THR 69 N -3.93 2.59 0.03 0.00 2.01 -1.26 -1.35 115.64 113.74 1u1y s THR 69 Ca 0.14 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 60.97 1u1y s THR 69 Cb -0.01 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1u1y s THR 69 CO 0.02 0.17 0.06 -1.58 -0.69 0.00 0.00 174.62 172.61 1u1y s GLN 70 N 1.26 2.92 -0.47 4.92 0.74 -0.64 -4.89 119.66 123.50 1u1y s GLN 70 Ca -0.02 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.69 1u1y s GLN 70 Cb -0.17 -2.76 0.12 0.00 1.10 0.00 0.00 33.01 31.30 1u1y s GLN 70 CO -0.06 0.61 0.35 0.99 -0.55 0.00 0.00 175.29 176.63 1u1y s THR 71 N -1.26 4.26 -0.24 -0.34 2.01 -1.26 -0.14 115.64 118.66 1u1y s THR 71 Ca 0.25 -1.76 -0.06 0.00 0.31 0.00 0.00 61.69 60.42 1u1y s THR 71 Cb -0.12 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1u1y s THR 71 CO 0.17 -0.77 0.04 -0.69 -0.69 0.00 0.00 174.62 172.68 1u1y s VAL 72 N 1.37 4.06 -1.24 3.82 1.01 0.17 -4.49 120.40 125.11 1u1y s VAL 72 Ca 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1u1y s VAL 72 Cb -0.26 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1u1y s VAL 72 CO -0.00 0.36 0.24 0.61 0.00 0.00 0.00 175.10 176.31 1u1y n GLY 73 N 4.89 -0.24 2.34 4.51 0.00 -1.26 -2.23 105.19 113.20 1u1y n GLY 73 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1u1y n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1y n GLY 74 N -1.18 0.50 3.30 -0.02 0.00 -1.26 -5.02 105.19 101.51 1u1y n GLY 74 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1u1y n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1y s VAL 75 N -2.16 2.02 -0.07 1.61 1.01 -0.95 -5.09 120.40 116.76 1u1y s VAL 75 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 1u1y s VAL 75 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1u1y s VAL 75 CO 0.00 0.57 0.67 -1.61 0.00 0.00 0.00 175.10 174.73 1u1y s GLU 76 N -0.53 4.42 0.03 2.72 2.02 -1.26 -0.66 118.70 125.45 1u1y s GLU 76 Ca 0.08 0.82 0.05 0.00 0.02 0.00 0.00 54.97 55.93 1u1y s GLU 76 Cb -0.10 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1u1y s GLU 76 CO -0.00 0.09 -0.14 -0.51 0.02 0.00 0.00 175.26 174.71 1u1y s LEU 77 N 0.74 2.15 -0.21 1.80 1.43 0.79 -4.97 118.68 120.42 1u1y s LEU 77 Ca 0.36 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 1u1y s LEU 77 Cb -0.17 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.44 1u1y s LEU 77 CO 0.17 0.05 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 1u1y s PRO 78 N -1.02 4.26 0.14 1.29 0.04 -1.26 -1.62 135.00 136.83 1u1y s PRO 78 Ca 0.02 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1u1y s PRO 78 Cb -0.07 -3.66 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 1u1y s PRO 78 CO 0.01 -0.63 0.08 1.33 0.04 0.00 0.00 177.00 177.83 1u1y n VAL 79 N 5.30 0.00 -4.18 -0.36 0.24 -0.45 -4.71 118.33 114.17 1u1y n VAL 79 Ca 0.12 -0.91 -0.30 0.00 -2.04 0.00 0.00 64.34 61.21 1u1y n VAL 79 Cb 0.46 0.40 -0.16 0.00 -1.47 0.00 0.00 33.84 33.06 1u1y n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u1y s ALA 80 N -2.47 1.88 0.26 2.33 0.00 -1.25 -1.53 121.76 120.99 1u1y s ALA 80 Ca 0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 1u1y s ALA 80 Cb 0.01 -1.01 0.40 0.00 0.00 0.00 0.00 23.12 22.52 1u1y s ALA 80 CO 0.08 -0.28 1.87 0.00 0.00 0.00 0.00 175.76 177.43 1u1y h ALA 81 N 7.84 1.36 -2.45 0.00 0.00 -0.11 -3.46 119.26 122.45 1u1y h ALA 81 Ca -0.37 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.69 1u1y h ALA 81 Cb 1.15 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1u1y h ALA 81 CO 0.53 0.39 0.48 1.67 0.00 0.00 0.00 179.25 182.32 1u1y s TRP 82 N -6.04 -0.08 0.03 0.00 1.48 -1.25 -5.03 118.94 108.06 1u1y s TRP 82 Ca -0.12 -0.28 0.02 0.00 -1.06 0.00 0.00 56.10 54.66 1u1y s TRP 82 Cb 0.20 0.67 -0.02 0.00 -1.16 0.00 0.00 33.47 33.16 1u1y s TRP 82 CO 0.81 -0.91 -0.08 1.03 -4.06 0.00 0.00 176.95 173.73 1u1y s ARG 83 N -3.05 0.56 -0.15 3.25 0.52 -1.26 -1.36 118.95 117.46 1u1y s ARG 83 Ca 0.14 -0.63 -0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1u1y s ARG 83 Cb -0.02 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 1u1y s ARG 83 CO 0.04 0.09 0.06 0.45 0.02 0.00 0.00 175.30 175.96 1u1y s SER 84 N -1.20 5.67 -0.14 0.23 0.15 0.23 -4.95 113.70 113.69 1u1y s SER 84 Ca -0.06 0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.76 1u1y s SER 84 Cb -0.08 -1.88 -0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1u1y s SER 84 CO 0.00 0.26 -0.17 -0.31 1.20 0.00 0.00 173.24 174.23 1u1y s TYR 85 N -0.13 2.75 -0.19 3.44 2.02 -1.26 -1.41 117.35 122.57 1u1y s TYR 85 Ca 0.07 -0.99 -0.02 0.00 -0.37 0.00 0.00 57.07 55.75 1u1y s TYR 85 Cb -0.12 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 1u1y s TYR 85 CO 0.01 -0.43 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.31 1u1y s LEU 86 N 0.67 2.77 -0.13 -1.29 2.96 -0.17 -5.00 118.68 118.49 1u1y s LEU 86 Ca -0.08 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1u1y s LEU 86 Cb -0.16 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.88 1u1y s LEU 86 CO 0.02 0.04 -0.14 0.20 -1.32 0.00 0.00 176.35 175.15 1u1y s ASN 87 N 1.10 2.54 0.03 3.68 -0.87 -1.26 -1.35 114.94 118.80 1u1y s ASN 87 Ca 0.01 -0.45 0.03 0.00 -1.57 0.00 0.00 52.86 50.88 1u1y s ASN 87 Cb -0.15 -1.11 -0.02 0.00 -0.02 0.00 0.00 41.25 39.96 1u1y s ASN 87 CO -0.02 -0.03 -0.10 0.00 -2.57 0.00 0.00 177.10 174.39 1u1y s MET 88 N 1.30 0.67 -0.07 -0.60 0.23 -0.22 -5.03 119.30 115.58 1u1y s MET 88 Ca 0.00 -0.58 0.03 0.00 -1.03 0.00 0.00 55.69 54.11 1u1y s MET 88 Cb -0.14 -0.59 0.01 0.00 -1.53 0.00 0.00 34.83 32.58 1u1y s MET 88 CO -0.07 0.14 -0.14 -1.21 -2.03 0.00 0.00 175.02 171.71 1u1y s GLU 89 N -0.95 1.89 -0.18 3.16 2.02 -1.26 -1.19 118.70 122.19 1u1y s GLU 89 Ca -0.02 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.48 1u1y s GLU 89 Cb -0.07 -1.54 0.04 0.00 0.10 0.00 0.00 34.13 32.66 1u1y s GLU 89 CO 0.00 0.07 -0.11 -1.17 0.02 0.00 0.00 175.26 174.07 1u1y s LEU 90 N 0.54 2.11 -0.29 1.80 2.96 -0.22 -4.96 118.68 120.63 1u1y s LEU 90 Ca -0.14 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 52.91 1u1y s LEU 90 Cb -0.16 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 1u1y s LEU 90 CO 0.04 -0.12 0.13 -0.89 -1.32 0.00 0.00 176.35 174.19 1u1y s THR 91 N 1.42 4.60 -0.12 3.68 2.01 -1.26 -0.71 115.64 125.25 1u1y s THR 91 Ca 0.01 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1u1y s THR 91 Cb -0.15 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1u1y s THR 91 CO -0.09 0.18 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.17 1u1y s ILE 92 N 1.63 2.22 0.56 1.82 1.01 -0.18 -4.97 121.20 123.30 1u1y s ILE 92 Ca 0.05 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 1u1y s ILE 92 Cb -0.16 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 1u1y s ILE 92 CO 0.06 0.55 1.22 -2.16 0.00 0.00 0.00 174.94 174.60 1u1y s PRO 93 N 0.54 3.16 0.32 2.79 0.04 -1.26 -1.11 135.00 139.48 1u1y s PRO 93 Ca -0.13 1.86 0.24 0.00 0.04 0.00 0.00 61.00 63.01 1u1y s PRO 93 Cb -0.17 -2.06 1.14 0.00 0.04 0.00 0.00 34.50 33.45 1u1y s PRO 93 CO 0.04 -1.06 1.73 -0.84 0.04 0.00 0.00 177.00 176.91 1u1y h ILE 94 N 1.16 0.00 -0.00 0.56 3.07 -1.73 -2.18 117.51 118.38 1u1y h ILE 94 Ca -0.50 -0.13 0.00 0.00 1.55 0.00 0.00 64.86 65.77 1u1y h ILE 94 Cb 1.29 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1u1y h ILE 94 CO 0.56 0.00 -0.03 0.49 -1.05 0.00 0.00 178.15 178.13 1u1y n PHE 95 N -2.32 0.00 -2.48 0.16 3.72 -1.26 -4.84 117.46 110.44 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 0.14 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.15 3.41 0.93 4.37 0.00 -0.82 -5.03 121.76 122.46 1u1y s ALA 96 Ca 0.40 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1u1y s ALA 96 Cb 0.21 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 20.07 1u1y s ALA 96 CO 0.39 -0.55 1.24 0.25 0.00 0.00 0.00 175.76 177.09 1u1y n THR 97 N 4.22 0.00 -0.11 0.00 -2.24 -1.26 -4.86 114.28 110.03 1u1y n THR 97 Ca 0.09 -1.15 -0.06 0.00 -2.27 0.00 0.00 64.05 60.67 1u1y n THR 97 Cb 0.47 -1.34 0.13 0.00 -2.10 0.00 0.00 70.33 67.49 1u1y n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u1y h ASN 98 N -1.42 0.79 -0.16 3.42 4.21 -1.99 -1.90 115.58 118.53 1u1y h ASN 98 Ca -0.40 -0.22 -0.10 0.00 1.21 0.00 0.00 56.30 56.79 1u1y h ASN 98 Cb 1.19 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1u1y h ASN 98 CO 0.32 0.89 -0.22 0.77 -1.29 0.00 0.00 177.43 177.89 1u1y h SER 99 N 0.75 0.60 -0.83 5.81 4.64 -1.99 -1.09 113.55 121.44 1u1y h SER 99 Ca 0.14 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1u1y h SER 99 Cb 0.53 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1u1y h SER 99 CO 0.03 0.82 0.44 0.44 -0.87 0.00 0.00 176.83 177.69 1u1y h ASP 100 N 0.53 1.05 0.47 4.97 3.32 -1.80 -2.55 116.42 122.42 1u1y h ASP 100 Ca 0.08 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.87 1u1y h ASP 100 Cb 0.67 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1u1y h ASP 100 CO 0.05 0.86 -0.68 0.00 -1.72 0.00 0.00 179.24 177.74 1u1y h GLU 102 N 0.13 0.15 -0.57 0.00 5.08 -0.90 -2.13 114.58 116.33 1u1y h GLU 102 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1u1y h GLU 102 Cb 1.22 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1u1y h GLU 102 CO 0.10 0.41 0.30 1.25 -1.00 0.00 0.00 179.01 180.07 1u1y h LEU 103 N 0.14 0.73 -0.20 1.33 5.85 -1.28 -0.20 115.31 121.67 1u1y h LEU 103 Ca 0.02 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1u1y h LEU 103 Cb 0.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1u1y h LEU 103 CO 0.04 0.62 0.10 0.40 -0.34 0.00 0.00 178.44 179.26 1u1y h ILE 104 N 0.77 1.14 -0.82 4.05 2.04 -1.32 -1.31 117.51 122.06 1u1y h ILE 104 Ca 0.20 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1u1y h ILE 104 Cb 0.07 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 1u1y h ILE 104 CO -0.03 0.13 0.50 0.58 0.00 0.00 0.00 178.15 179.34 1u1y h VAL 105 N 0.20 1.23 -0.67 1.67 2.07 -1.06 -1.67 116.25 118.01 1u1y h VAL 105 Ca 0.07 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1u1y h VAL 105 Cb 0.13 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1u1y h VAL 105 CO -0.01 0.23 0.12 0.11 0.02 0.00 0.00 177.57 178.05 1u1y h LYS 106 N 1.12 1.09 -0.67 1.57 1.57 -0.85 -1.59 116.57 118.82 1u1y h LYS 106 Ca 0.30 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1u1y h LYS 106 Cb -0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 1u1y h LYS 106 CO -0.06 0.99 0.29 0.00 -0.57 0.00 0.00 179.45 180.10 1u1y h ALA 107 N 1.10 0.86 -0.40 3.86 0.00 -0.77 0.87 119.26 124.78 1u1y h ALA 107 Ca 0.21 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1u1y h ALA 107 Cb 0.42 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1u1y h ALA 107 CO 0.01 0.46 -0.10 0.52 0.00 0.00 0.00 179.25 180.14 1u1y h MET 108 N 0.94 0.70 -0.38 0.00 2.86 -1.08 -0.21 114.93 117.76 1u1y h MET 108 Ca 0.23 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 1u1y h MET 108 Cb 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1u1y h MET 108 CO -0.02 0.78 -0.38 1.96 1.06 0.00 0.00 176.91 180.30 1u1y h GLN 109 N 0.64 0.93 -0.45 1.72 4.20 -0.86 -3.07 115.11 118.22 1u1y h GLN 109 Ca 0.11 -0.49 -0.10 0.00 0.06 0.00 0.00 58.65 58.23 1u1y h GLN 109 Cb 0.54 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1u1y h GLN 109 CO 0.03 1.15 -0.13 0.78 -0.67 0.00 0.00 178.83 180.00 1u1y h GLY 110 N 0.75 0.90 0.40 3.46 0.00 -0.53 -2.70 103.07 105.36 1u1y h GLY 110 Ca 0.06 -0.71 0.13 0.00 0.00 0.00 0.00 47.33 46.81 1u1y h GLY 110 CO 0.10 0.65 0.60 -2.00 0.00 0.00 0.00 176.54 175.88 1u1y h LEU 111 N 0.75 0.85 -2.59 3.11 5.85 -0.94 -2.67 115.31 119.67 1u1y h LEU 111 Ca 0.12 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1u1y h LEU 111 Cb 0.63 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1u1y h LEU 111 CO 0.04 0.43 0.00 0.18 -0.34 0.00 0.00 178.44 178.75 1u1y n LEU 112 N -4.67 3.63 -4.76 2.25 4.77 -1.15 -4.40 117.00 112.67 1u1y n LEU 112 Ca 0.19 -1.80 -0.41 0.00 -0.03 0.00 0.00 56.01 53.96 1u1y n LEU 112 Cb 0.39 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1u1y n LEU 112 CO 0.26 0.86 1.09 1.17 -1.33 0.00 0.00 177.39 179.44 1u1y n LYS 113 N 1.45 2.57 -1.62 3.23 4.81 -1.01 -4.81 118.16 122.77 1u1y n LYS 113 Ca 0.21 0.90 -0.47 0.00 -0.87 0.00 0.00 58.31 58.07 1u1y n LYS 113 Cb 0.59 -2.61 -0.04 0.00 0.02 0.00 0.00 35.03 32.99 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 0.48 2.09 0.00 3.14 8.00 -1.26 -1.77 116.55 127.22 1u1y n ASP 114 Ca 0.02 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.65 1u1y n ASP 114 Cb 0.38 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1u1y n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1y n GLY 115 N 2.28 3.28 3.79 0.44 0.00 -1.26 -5.05 105.19 108.67 1u1y n GLY 115 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.62 4.76 0.07 1.61 0.01 -0.73 -4.85 114.94 115.18 1u1y s ASN 116 Ca 0.00 1.71 -0.18 0.00 -0.71 0.00 0.00 52.86 53.67 1u1y s ASN 116 Cb 0.00 -2.47 -0.06 0.00 0.41 0.00 0.00 41.25 39.13 1u1y s ASN 116 CO 0.00 -1.85 1.31 -0.65 -1.51 0.00 0.00 177.10 174.39 1u1y h PRO 117 N -1.00 -0.22 0.23 -0.60 0.11 -1.89 -2.40 132.00 126.23 1u1y h PRO 117 Ca -0.44 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1u1y h PRO 117 Cb 1.23 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 1u1y h PRO 117 CO 0.54 -0.14 -0.41 0.82 -0.21 0.00 0.00 178.00 178.59 1u1y h ILE 118 N -0.22 0.17 -0.18 4.15 5.03 -1.94 -0.99 117.51 123.52 1u1y h ILE 118 Ca 0.04 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.83 1u1y h ILE 118 Cb 0.33 0.17 -0.01 0.00 -3.03 0.00 0.00 36.82 34.28 1u1y h ILE 118 CO -0.33 0.00 0.13 1.55 -0.68 0.00 0.00 178.15 178.82 1u1y h PRO 119 N -0.72 0.01 -0.17 2.37 0.13 -1.76 -1.76 132.00 130.10 1u1y h PRO 119 Ca -0.00 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1u1y h PRO 119 Cb 0.70 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1u1y h PRO 119 CO -0.17 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 178.37 1u1y h SER 120 N 0.01 0.29 -0.22 1.44 0.02 -0.83 -2.18 113.55 112.07 1u1y h SER 120 Ca 0.09 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1u1y h SER 120 Cb 0.34 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1u1y h SER 120 CO -0.00 0.53 0.11 0.00 -1.14 0.00 0.00 176.83 176.32 1u1y h ALA 121 N 0.77 0.28 -0.46 3.77 0.00 -0.57 -2.61 119.26 120.45 1u1y h ALA 121 Ca 0.05 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1u1y h ALA 121 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1u1y h ALA 121 CO 0.01 -0.16 0.23 0.82 0.00 0.00 0.00 179.25 180.15 1u1y h ILE 122 N 0.23 0.96 0.00 0.00 2.04 -1.33 -1.80 117.51 117.61 1u1y h ILE 122 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1u1y h ILE 122 Cb 0.11 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1u1y h ILE 122 CO -0.01 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.22 1u1y n ALA 123 N -2.31 1.69 -0.22 1.87 0.00 -0.82 -2.62 120.51 118.10 1u1y n ALA 123 Ca 0.03 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.57 1u1y n ALA 123 Cb 0.12 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.39 1u1y n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1y n ALA 124 N -1.69 2.22 -3.72 0.00 0.00 -0.74 -4.98 120.51 111.60 1u1y n ALA 124 Ca 0.03 -1.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.04 1u1y n ALA 124 Cb 0.22 -0.48 0.03 0.00 0.00 0.00 0.00 19.45 19.22 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 0.56 -1.63 -3.51 0.00 3.02 -0.93 -4.97 115.26 107.79 1u1y n ASN 125 Ca 0.13 -0.81 -0.16 0.00 -0.03 0.00 0.00 54.58 53.71 1u1y n ASN 125 Cb 0.46 -4.05 -0.07 0.00 -0.61 0.00 0.00 39.78 35.52 1u1y n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1u1y s SER 126 N -4.23 0.99 0.00 6.41 1.04 -0.81 -5.07 113.70 112.04 1u1y s SER 126 Ca 0.09 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1u1y s SER 126 Cb -0.04 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1u1y s SER 126 CO 0.81 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1u1y n GLY 127 N -0.52 2.17 3.87 7.32 0.00 -1.26 -4.36 105.19 112.41 1u1y n GLY 127 Ca 0.03 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 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 1.15 5.42 0.00 -0.61 1.09 -1.26 -4.82 121.20 122.17 1u1y s ILE 128 Ca 0.00 0.15 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 1u1y s ILE 128 Cb 0.00 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 38.03 1u1y s ILE 128 CO 0.00 0.60 0.00 0.00 -0.10 0.00 0.00 174.94 175.44