#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr5 s ARG 27 N 0.00 3.57 -0.22 1.09 3.00 0.94 -4.91 118.95 122.41 1cr5 s ARG 27 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 55.73 55.51 1cr5 s ARG 27 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 34.95 32.07 1cr5 s ARG 27 CO 0.00 0.48 -0.07 -1.01 0.00 0.00 0.00 175.30 174.70 1cr5 s HIS 28 N -1.66 2.95 0.08 -0.53 3.76 -1.26 -0.35 115.29 118.27 1cr5 s HIS 28 Ca 0.40 -1.18 0.05 0.00 -0.15 0.00 0.00 55.06 54.17 1cr5 s HIS 28 Cb -0.12 -2.07 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 1cr5 s HIS 28 CO 0.26 -0.63 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.88 1cr5 s LEU 29 N 1.42 2.31 -0.15 0.89 1.43 -0.16 -4.83 118.68 119.58 1cr5 s LEU 29 Ca 0.05 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1cr5 s LEU 29 Cb -0.14 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 1cr5 s LEU 29 CO -0.05 -0.13 0.21 -0.54 0.23 0.00 0.00 176.35 176.07 1cr5 s LYS 30 N -1.98 3.99 0.13 1.70 1.02 -0.47 0.08 119.74 124.22 1cr5 s LYS 30 Ca -0.01 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.64 1cr5 s LYS 30 Cb -0.08 -3.34 -0.07 0.00 -0.52 0.00 0.00 37.83 33.81 1cr5 s LYS 30 CO 0.02 0.44 1.19 0.08 -0.92 0.00 0.00 175.35 176.16 1cr5 s VAL 31 N -0.10 3.80 0.11 3.17 1.01 -0.88 -0.71 120.40 126.80 1cr5 s VAL 31 Ca 0.14 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.57 1cr5 s VAL 31 Cb -0.12 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1cr5 s VAL 31 CO 0.03 0.18 -0.10 -0.94 0.00 0.00 0.00 175.10 174.27 1cr5 s SER 32 N 0.50 1.49 0.33 3.32 1.04 -0.37 0.36 113.70 120.38 1cr5 s SER 32 Ca 0.55 -0.86 -0.27 0.00 0.48 0.00 0.00 55.95 55.85 1cr5 s SER 32 Cb -0.31 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.73 1cr5 s SER 32 CO 0.33 -0.29 1.05 0.21 0.98 0.00 0.00 173.24 175.53 1cr5 s ASN 33 N -2.61 7.09 -0.43 7.02 2.47 -1.26 -1.53 114.94 125.69 1cr5 s ASN 33 Ca 0.08 2.12 0.04 0.00 0.42 0.00 0.00 52.86 55.51 1cr5 s ASN 33 Cb -0.01 -2.61 0.17 0.00 -1.45 0.00 0.00 41.25 37.35 1cr5 s ASN 33 CO -0.00 -0.26 0.35 0.00 -3.72 0.00 0.00 177.10 173.47 1cr5 n PRO 35 N 2.81 0.35 -1.83 0.00 -0.04 -1.26 -4.05 135.00 130.98 1cr5 n PRO 35 Ca 0.28 -0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 1cr5 n PRO 35 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1cr5 n PRO 35 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1cr5 s ASN 36 N -2.74 6.52 0.65 3.54 3.84 -1.26 -4.70 114.94 120.78 1cr5 s ASN 36 Ca 0.20 2.64 0.32 0.00 0.21 0.00 0.00 52.86 56.23 1cr5 s ASN 36 Cb 0.19 -2.57 1.72 0.00 -0.55 0.00 0.00 41.25 40.04 1cr5 s ASN 36 CO 0.55 -0.93 2.00 -0.55 -2.79 0.00 0.00 177.10 175.39 1cr5 h ASN 37 N 8.05 0.00 0.44 -4.21 7.08 -1.96 0.27 115.58 125.25 1cr5 h ASN 37 Ca -0.44 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 52.75 1cr5 h ASN 37 Cb 1.21 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.44 1cr5 h ASN 37 CO 0.94 0.00 -0.17 0.28 -2.08 0.00 0.00 177.43 176.40 1cr5 h SER 38 N 0.00 0.00 0.00 6.14 0.02 -1.98 -3.14 113.55 114.59 1cr5 h SER 38 Ca 0.04 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.78 1cr5 h SER 38 Cb 0.62 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1cr5 h SER 38 CO -0.00 0.17 -1.58 -1.22 -1.14 0.00 0.00 176.83 173.05 1cr5 n TYR 39 N -3.69 0.00 -0.18 3.45 4.02 -0.17 -4.43 117.16 116.17 1cr5 n TYR 39 Ca -0.02 0.00 0.29 0.00 -0.01 0.00 0.00 57.90 58.16 1cr5 n TYR 39 Cb 0.28 -0.53 0.73 0.00 -0.02 0.00 0.00 39.34 39.80 1cr5 n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1cr5 h ALA 40 N -0.61 2.82 -0.00 -0.72 0.00 -1.15 -0.30 119.26 119.30 1cr5 h ALA 40 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1cr5 h ALA 40 Cb 1.17 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1cr5 h ALA 40 CO -0.19 -1.15 -0.88 1.28 0.00 0.00 0.00 179.25 178.32 1cr5 n LEU 41 N -4.14 1.12 -0.67 0.00 4.77 -1.19 -4.25 117.00 112.64 1cr5 n LEU 41 Ca 0.19 -0.50 0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1cr5 n LEU 41 Cb 1.00 -0.02 0.34 0.00 -2.33 0.00 0.00 43.42 42.40 1cr5 n LEU 41 CO 0.37 0.26 0.75 0.00 -1.33 0.00 0.00 177.39 177.45 1cr5 n ALA 42 N -1.26 2.56 -3.78 -1.18 0.00 -0.13 -4.73 120.51 111.99 1cr5 n ALA 42 Ca 0.05 -0.55 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 1cr5 n ALA 42 Cb 0.35 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.82 1cr5 n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1cr5 n ASN 43 N 0.63 -4.54 -4.46 0.00 5.15 -1.19 -4.92 115.26 105.93 1cr5 n ASN 43 Ca 0.17 -1.07 -0.24 0.00 -0.60 0.00 0.00 54.58 52.84 1cr5 n ASN 43 Cb 0.46 -3.04 -0.10 0.00 -0.53 0.00 0.00 39.78 36.56 1cr5 n ASN 43 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1cr5 s VAL 44 N -3.53 1.25 -0.34 3.44 -7.23 -1.26 -4.56 120.40 108.17 1cr5 s VAL 44 Ca 0.43 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 1cr5 s VAL 44 Cb -0.17 -2.74 0.02 0.00 0.56 0.00 0.00 36.38 34.05 1cr5 s VAL 44 CO 0.88 0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.82 1cr5 s ALA 45 N -3.16 3.18 -0.13 1.32 0.00 -0.32 -4.83 121.76 117.82 1cr5 s ALA 45 Ca 0.33 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 1cr5 s ALA 45 Cb 0.08 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 1cr5 s ALA 45 CO 0.15 -1.18 1.34 0.00 0.00 0.00 0.00 175.76 176.07 1cr5 s ALA 46 N 1.52 3.64 0.19 0.00 0.00 -0.71 -1.47 121.76 124.93 1cr5 s ALA 46 Ca 0.02 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.60 1cr5 s ALA 46 Cb -0.18 -3.64 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 1cr5 s ALA 46 CO 0.05 -1.18 -0.07 0.14 0.00 0.00 0.00 175.76 174.69 1cr5 s VAL 47 N 3.48 1.24 0.34 0.00 -7.23 -0.27 -0.81 120.40 117.15 1cr5 s VAL 47 Ca 0.59 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 58.42 1cr5 s VAL 47 Cb -0.25 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 1cr5 s VAL 47 CO 0.18 -0.55 0.96 -0.55 -0.31 0.00 0.00 175.10 174.84 1cr5 s SER 48 N -3.26 7.23 0.58 4.85 0.15 -1.26 -1.41 113.70 120.59 1cr5 s SER 48 Ca 0.22 1.87 0.28 0.00 0.70 0.00 0.00 55.95 59.02 1cr5 s SER 48 Cb 0.03 -2.58 1.63 0.00 -1.71 0.00 0.00 66.02 63.39 1cr5 s SER 48 CO 0.05 -0.15 2.10 -0.65 1.20 0.00 0.00 173.24 175.79 1cr5 h PRO 49 N 3.02 0.00 -0.19 5.44 0.11 -1.80 -1.58 132.00 137.00 1cr5 h PRO 49 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1cr5 h PRO 49 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1cr5 h PRO 49 CO 0.64 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 1cr5 n ASN 50 N -3.86 2.19 -0.12 -2.05 0.23 -1.26 -4.14 115.26 106.25 1cr5 n ASN 50 Ca 0.02 -1.78 -0.16 0.00 -0.53 0.00 0.00 54.58 52.13 1cr5 n ASN 50 Cb 0.33 -0.12 -0.11 0.00 -2.08 0.00 0.00 39.78 37.81 1cr5 n ASN 50 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cr5 n ASP 51 N 0.67 2.18 -3.76 0.53 8.00 -0.60 -5.04 116.55 118.53 1cr5 n ASP 51 Ca 0.17 -0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 1cr5 n ASP 51 Cb 0.42 -0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1cr5 n ASP 51 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cr5 s PHE 52 N -2.46 -0.12 0.88 1.24 0.40 -1.17 -4.99 117.98 111.75 1cr5 s PHE 52 Ca -0.31 0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 1cr5 s PHE 52 Cb 0.08 0.09 0.12 0.00 0.51 0.00 0.00 43.02 43.82 1cr5 s PHE 52 CO 0.54 -0.46 1.12 -1.25 0.70 0.00 0.00 175.22 175.87 1cr5 s PRO 53 N -2.11 1.43 0.36 0.24 0.04 -1.26 -4.55 135.00 129.16 1cr5 s PRO 53 Ca -0.08 0.42 -0.19 0.00 0.04 0.00 0.00 61.00 61.19 1cr5 s PRO 53 Cb -0.02 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 1cr5 s PRO 53 CO -0.01 -2.03 0.85 1.21 0.04 0.00 0.00 177.00 177.07 1cr5 s ASN 54 N -3.96 6.93 -1.39 6.66 2.47 -1.26 -4.33 114.94 120.06 1cr5 s ASN 54 Ca 0.63 1.53 -0.05 0.00 0.42 0.00 0.00 52.86 55.38 1cr5 s ASN 54 Cb -0.15 -2.47 0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1cr5 s ASN 54 CO 0.54 -0.24 0.84 -3.20 -3.72 0.00 0.00 177.10 171.32 1cr5 n ASN 55 N -0.31 -2.81 -4.49 -4.21 5.15 -0.31 -4.96 115.26 103.33 1cr5 n ASN 55 Ca 0.04 -0.78 -0.23 0.00 -0.60 0.00 0.00 54.58 53.01 1cr5 n ASN 55 Cb 0.53 -4.10 -0.11 0.00 -0.53 0.00 0.00 39.78 35.58 1cr5 n ASN 55 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1cr5 s ILE 56 N -3.51 1.69 0.06 -1.44 -4.36 -1.26 -4.82 121.20 107.56 1cr5 s ILE 56 Ca 0.27 -2.08 -0.21 0.00 -0.26 0.00 0.00 60.65 58.37 1cr5 s ILE 56 Cb -0.13 -2.66 -0.06 0.00 1.25 0.00 0.00 42.46 40.85 1cr5 s ILE 56 CO 0.81 -0.16 0.61 -0.31 0.24 0.00 0.00 174.94 176.13 1cr5 s TYR 57 N -2.96 3.78 0.09 1.37 4.12 -1.26 -0.37 117.35 122.11 1cr5 s TYR 57 Ca 0.33 1.31 0.03 0.00 0.02 0.00 0.00 57.07 58.76 1cr5 s TYR 57 Cb 0.06 -2.58 -0.03 0.00 -1.52 0.00 0.00 41.96 37.89 1cr5 s TYR 57 CO 0.15 0.50 -0.09 0.96 0.02 0.00 0.00 175.55 177.08 1cr5 s ILE 58 N -0.81 0.85 -0.08 2.71 -4.36 -0.19 -0.63 121.20 118.69 1cr5 s ILE 58 Ca 0.31 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 59.15 1cr5 s ILE 58 Cb -0.20 -1.29 0.00 0.00 1.25 0.00 0.00 42.46 42.23 1cr5 s ILE 58 CO 0.20 -0.57 -0.20 -0.51 0.24 0.00 0.00 174.94 174.09 1cr5 s ILE 59 N -2.42 1.74 -0.17 8.37 2.07 0.93 -1.33 121.20 130.39 1cr5 s ILE 59 Ca 0.04 -0.85 -0.06 0.00 -1.41 0.00 0.00 60.65 58.37 1cr5 s ILE 59 Cb -0.03 -1.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.02 1cr5 s ILE 59 CO -0.01 0.49 0.01 -0.63 -1.91 0.00 0.00 174.94 172.90 1cr5 s ILE 60 N 0.31 4.30 -1.51 2.00 1.09 0.26 -1.54 121.20 126.11 1cr5 s ILE 60 Ca -0.14 -0.21 -0.04 0.00 -1.10 0.00 0.00 60.65 59.17 1cr5 s ILE 60 Cb -0.16 -2.92 0.01 0.00 -1.06 0.00 0.00 42.46 38.34 1cr5 s ILE 60 CO 0.06 0.47 0.39 0.47 -0.10 0.00 0.00 174.94 176.23 1cr5 n ASP 61 N 3.64 -5.44 -1.79 3.58 8.00 0.13 -1.86 116.55 122.81 1cr5 n ASP 61 Ca -0.17 -0.19 -0.21 0.00 0.71 0.00 0.00 54.79 54.93 1cr5 n ASP 61 Cb 0.52 -4.46 -0.07 0.00 -0.02 0.00 0.00 41.12 37.09 1cr5 n ASP 61 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1cr5 n ASN 62 N -2.30 -5.57 0.00 -2.24 5.03 -1.26 -4.72 115.26 104.20 1cr5 n ASN 62 Ca -0.13 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.71 1cr5 n ASN 62 Cb 0.62 -4.85 0.00 0.00 -1.02 0.00 0.00 39.78 34.53 1cr5 n ASN 62 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1cr5 n LEU 63 N -2.52 0.00 -4.57 3.41 4.77 -0.89 -5.09 117.00 112.11 1cr5 n LEU 63 Ca -0.22 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.36 1cr5 n LEU 63 Cb 0.68 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1cr5 n LEU 63 CO 0.31 -0.19 0.00 -0.36 -1.33 0.00 0.00 177.39 175.83 1cr5 s PHE 64 N -1.37 3.22 -0.18 -1.77 0.40 -0.78 -4.88 117.98 112.62 1cr5 s PHE 64 Ca 0.00 0.10 -0.09 0.00 -0.60 0.00 0.00 56.93 56.35 1cr5 s PHE 64 Cb 0.00 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.89 1cr5 s PHE 64 CO 0.00 -0.34 0.11 0.08 0.70 0.00 0.00 175.22 175.77 1cr5 s VAL 65 N 1.98 5.19 0.07 -0.44 1.01 -1.26 0.93 120.40 127.88 1cr5 s VAL 65 Ca 0.12 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1cr5 s VAL 65 Cb -0.16 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1cr5 s VAL 65 CO 0.11 0.47 -0.00 -0.36 0.00 0.00 0.00 175.10 175.32 1cr5 s PHE 66 N 0.17 0.60 -0.06 5.22 0.40 -0.44 -4.89 117.98 118.98 1cr5 s PHE 66 Ca 0.07 -1.10 -0.13 0.00 -0.60 0.00 0.00 56.93 55.17 1cr5 s PHE 66 Cb -0.12 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 42.96 1cr5 s PHE 66 CO -0.01 -0.42 0.34 0.99 0.70 0.00 0.00 175.22 176.82 1cr5 s THR 67 N -3.95 5.18 0.48 0.64 2.01 -1.26 -1.03 115.64 117.71 1cr5 s THR 67 Ca 0.11 0.67 -0.12 0.00 0.31 0.00 0.00 61.69 62.66 1cr5 s THR 67 Cb 0.08 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1cr5 s THR 67 CO -0.07 0.54 0.88 0.42 -0.69 0.00 0.00 174.62 175.70 1cr5 s THR 68 N -0.71 4.70 -0.10 -0.82 -4.23 0.50 -1.17 115.64 113.81 1cr5 s THR 68 Ca 0.21 0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 61.49 1cr5 s THR 68 Cb -0.15 -3.76 0.05 0.00 1.34 0.00 0.00 72.50 69.98 1cr5 s THR 68 CO 0.10 -0.69 0.21 -0.60 -0.54 0.00 0.00 174.62 173.10 1cr5 s ARG 69 N -4.19 0.10 0.56 3.99 3.52 -0.55 -1.16 118.95 121.24 1cr5 s ARG 69 Ca 0.54 0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 56.56 1cr5 s ARG 69 Cb -0.10 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.10 1cr5 s ARG 69 CO 0.36 -0.27 1.26 -1.01 -0.81 0.00 0.00 175.30 174.83 1cr5 s HIS 70 N 2.14 2.40 -0.11 5.12 3.76 -1.26 -1.11 115.29 126.22 1cr5 s HIS 70 Ca -0.00 1.47 -0.06 0.00 -0.15 0.00 0.00 55.06 56.32 1cr5 s HIS 70 Cb -0.12 -3.59 0.05 0.00 1.11 0.00 0.00 32.58 30.02 1cr5 s HIS 70 CO -0.07 -2.41 0.27 0.45 -0.85 0.00 0.00 174.74 172.13 1cr5 s SER 71 N -1.32 -0.31 0.01 1.40 0.15 -0.50 -4.80 113.70 108.33 1cr5 s SER 71 Ca 0.74 0.58 0.26 0.00 0.70 0.00 0.00 55.95 58.23 1cr5 s SER 71 Cb -0.34 0.48 0.70 0.00 -1.71 0.00 0.00 66.02 65.15 1cr5 s SER 71 CO 0.39 -0.16 1.56 0.59 1.20 0.00 0.00 173.24 176.81 1cr5 n ASN 72 N 4.11 0.38 -1.75 5.45 3.02 -1.26 -3.73 115.26 121.48 1cr5 n ASN 72 Ca -0.24 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.36 1cr5 n ASN 72 Cb 0.54 0.02 0.36 0.00 -0.61 0.00 0.00 39.78 40.08 1cr5 n ASN 72 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1cr5 n ASP 73 N -1.56 5.21 -4.04 6.41 8.00 -1.26 -4.87 116.55 124.44 1cr5 n ASP 73 Ca 0.06 -3.03 -0.31 0.00 0.71 0.00 0.00 54.79 52.21 1cr5 n ASP 73 Cb 0.35 -0.68 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 1cr5 n ASP 73 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1cr5 s ILE 74 N -2.85 1.79 0.07 0.53 2.07 -1.24 -5.10 121.20 116.46 1cr5 s ILE 74 Ca 0.53 -1.00 -0.37 0.00 -1.41 0.00 0.00 60.65 58.40 1cr5 s ILE 74 Cb 0.41 -1.78 -0.16 0.00 0.13 0.00 0.00 42.46 41.06 1cr5 s ILE 74 CO 0.14 0.28 1.41 -2.65 -1.91 0.00 0.00 174.94 172.21 1cr5 n PRO 75 N 4.65 1.29 -1.68 3.50 -0.02 -1.26 -4.47 135.00 137.01 1cr5 n PRO 75 Ca -0.16 0.47 -0.45 0.00 -2.02 0.00 0.00 63.50 61.33 1cr5 n PRO 75 Cb 0.47 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1cr5 n PRO 75 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1cr5 n PRO 76 N 2.90 2.45 0.00 0.52 -0.02 -1.26 -1.22 135.00 138.37 1cr5 n PRO 76 Ca 0.19 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1cr5 n PRO 76 Cb 0.20 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 1cr5 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cr5 n GLY 77 N 4.04 0.77 3.46 -1.23 0.00 -1.26 -5.09 105.19 105.89 1cr5 n GLY 77 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1cr5 n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cr5 s THR 78 N -2.00 2.07 -0.02 2.61 -4.23 -0.35 -1.37 115.64 112.35 1cr5 s THR 78 Ca 0.00 -2.24 -0.00 0.00 -1.18 0.00 0.00 61.69 58.27 1cr5 s THR 78 Cb 0.00 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1cr5 s THR 78 CO 0.00 -0.34 0.03 -0.51 -0.54 0.00 0.00 174.62 173.26 1cr5 s ILE 79 N -2.74 -0.05 -0.14 2.99 2.07 0.11 -4.39 121.20 119.05 1cr5 s ILE 79 Ca 0.30 0.25 -0.10 0.00 -1.41 0.00 0.00 60.65 59.68 1cr5 s ILE 79 Cb 0.00 -0.11 -0.05 0.00 0.13 0.00 0.00 42.46 42.44 1cr5 s ILE 79 CO 0.13 0.11 0.19 -0.83 -1.91 0.00 0.00 174.94 172.64 1cr5 s GLY 80 N 1.26 2.16 0.06 1.50 0.00 0.01 -1.23 107.32 111.08 1cr5 s GLY 80 Ca -0.07 -0.58 0.01 0.00 0.00 0.00 0.00 44.72 44.09 1cr5 s GLY 80 CO -0.03 -0.02 -0.06 -1.36 0.00 0.00 0.00 173.10 171.63 1cr5 s PHE 81 N -0.33 0.65 0.86 1.90 2.99 -0.58 -1.74 117.98 121.73 1cr5 s PHE 81 Ca 0.14 -0.69 -0.11 0.00 0.00 0.00 0.00 56.93 56.27 1cr5 s PHE 81 Cb -0.12 -0.40 0.15 0.00 0.00 0.00 0.00 43.02 42.64 1cr5 s PHE 81 CO 0.03 -0.15 1.20 0.54 -0.00 0.00 0.00 175.22 176.84 1cr5 s ASN 82 N -2.13 3.82 0.25 1.36 2.20 -1.26 -1.44 114.94 117.74 1cr5 s ASN 82 Ca -0.03 0.29 -0.04 0.00 -0.94 0.00 0.00 52.86 52.14 1cr5 s ASN 82 Cb -0.04 -0.56 0.40 0.00 -2.00 0.00 0.00 41.25 39.06 1cr5 s ASN 82 CO -0.03 -2.28 1.83 1.23 -2.94 0.00 0.00 177.10 174.92 1cr5 h GLY 83 N -1.20 1.36 1.01 0.45 0.00 -1.97 -2.42 103.07 100.30 1cr5 h GLY 83 Ca -0.43 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.44 1cr5 h GLY 83 CO 0.47 0.19 -0.05 3.43 0.00 0.00 0.00 176.54 180.58 1cr5 h ASN 84 N 0.91 0.85 -0.50 0.19 4.21 -1.93 -1.24 115.58 118.06 1cr5 h ASN 84 Ca 0.41 -0.33 -0.06 0.00 1.21 0.00 0.00 56.30 57.53 1cr5 h ASN 84 Cb 0.31 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.25 1cr5 h ASN 84 CO -0.22 0.98 0.12 1.56 -1.29 0.00 0.00 177.43 178.58 1cr5 h GLN 85 N 0.71 0.87 -0.42 0.81 4.20 -1.63 -0.19 115.11 119.45 1cr5 h GLN 85 Ca 0.13 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 1cr5 h GLN 85 Cb 0.57 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1cr5 h GLN 85 CO 0.03 0.79 -0.28 0.00 -0.67 0.00 0.00 178.83 178.71 1cr5 h ARG 86 N 0.83 0.90 -0.71 1.46 3.08 -1.27 -1.22 114.38 117.45 1cr5 h ARG 86 Ca 0.18 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1cr5 h ARG 86 Cb 0.33 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1cr5 h ARG 86 CO 0.00 1.06 0.33 1.15 -1.07 0.00 0.00 179.97 181.44 1cr5 h THR 87 N 0.76 1.24 -0.17 2.04 2.02 -0.74 0.21 112.91 118.28 1cr5 h THR 87 Ca 0.09 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1cr5 h THR 87 Cb 0.84 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1cr5 h THR 87 CO 0.07 0.28 0.09 -0.25 0.37 0.00 0.00 175.52 176.09 1cr5 h TRP 88 N 1.00 0.23 0.00 3.16 7.01 -0.72 -2.51 115.95 124.12 1cr5 h TRP 88 Ca 0.24 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1cr5 h TRP 88 Cb 0.14 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1cr5 h TRP 88 CO 0.01 0.23 0.00 0.41 -2.79 0.00 0.00 178.44 176.30 1cr5 n GLY 89 N -0.90 -1.37 2.22 2.65 0.00 -0.49 -4.89 105.19 102.42 1cr5 n GLY 89 Ca -0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1cr5 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr5 n GLY 90 N 1.13 -0.04 3.82 -0.02 0.00 0.59 -5.00 105.19 105.67 1cr5 n GLY 90 Ca 0.06 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1cr5 n GLY 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cr5 s TRP 91 N -2.56 3.56 0.35 1.61 0.51 -0.29 -5.02 118.94 117.11 1cr5 s TRP 91 Ca 0.00 0.56 0.07 0.00 -2.12 0.00 0.00 56.10 54.61 1cr5 s TRP 91 Cb 0.00 -2.08 -0.01 0.00 -0.81 0.00 0.00 33.47 30.57 1cr5 s TRP 91 CO 0.00 0.57 0.49 -1.54 -0.51 0.00 0.00 176.95 175.96 1cr5 s SER 92 N -0.57 5.91 0.34 2.95 1.04 -1.26 -4.62 113.70 117.48 1cr5 s SER 92 Ca 0.15 -0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.06 1cr5 s SER 92 Cb -0.13 -1.12 -0.12 0.00 0.10 0.00 0.00 66.02 64.76 1cr5 s SER 92 CO 0.04 -0.50 1.51 0.18 0.98 0.00 0.00 173.24 175.45 1cr5 n LEU 93 N -1.68 4.42 0.00 2.42 4.77 -1.26 -1.74 117.00 123.93 1cr5 n LEU 93 Ca 0.02 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1cr5 n LEU 93 Cb 0.58 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1cr5 n LEU 93 CO 0.41 0.06 0.00 0.59 -1.33 0.00 0.00 177.39 177.13 1cr5 n ASN 94 N 1.21 0.00 -4.69 -1.43 3.02 0.16 -4.95 115.26 108.58 1cr5 n ASN 94 Ca 0.05 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.16 1cr5 n ASN 94 Cb 0.37 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 39.06 1cr5 n ASN 94 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1cr5 n GLN 95 N -2.00 2.49 -2.02 3.52 7.27 -0.71 -4.41 117.38 121.52 1cr5 n GLN 95 Ca 0.00 0.90 -0.38 0.00 0.07 0.00 0.00 57.00 57.59 1cr5 n GLN 95 Cb 0.00 -2.74 0.01 0.00 2.41 0.00 0.00 30.24 29.92 1cr5 n GLN 95 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1cr5 s ASP 96 N 1.89 5.82 0.04 1.69 1.01 -1.26 -2.08 116.67 123.78 1cr5 s ASP 96 Ca 0.81 2.56 -0.08 0.00 0.71 0.00 0.00 52.55 56.55 1cr5 s ASP 96 Cb -0.58 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 40.72 1cr5 s ASP 96 CO 0.38 -1.18 0.15 0.54 0.21 0.00 0.00 175.17 175.27 1cr5 s VAL 97 N -1.39 0.12 -0.19 -1.27 0.11 0.11 -4.93 120.40 112.96 1cr5 s VAL 97 Ca 0.66 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 1cr5 s VAL 97 Cb -0.35 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.57 1cr5 s VAL 97 CO 0.43 -0.54 0.04 -1.10 -3.33 0.00 0.00 175.10 170.60 1cr5 s GLN 98 N -2.56 3.84 -0.03 1.54 -0.21 -1.26 -0.99 119.66 119.99 1cr5 s GLN 98 Ca -0.05 -0.41 0.05 0.00 0.02 0.00 0.00 55.36 54.96 1cr5 s GLN 98 Cb -0.01 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.81 1cr5 s GLN 98 CO -0.04 0.16 -0.17 0.00 -2.12 0.00 0.00 175.29 173.12 1cr5 s ALA 99 N 0.65 1.44 0.02 6.09 0.00 0.52 0.23 121.76 130.71 1cr5 s ALA 99 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1cr5 s ALA 99 Cb -0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1cr5 s ALA 99 CO 0.02 0.30 -0.04 0.15 0.00 0.00 0.00 175.76 176.19 1cr5 s LYS 100 N -0.14 0.33 0.44 0.00 1.02 -0.59 -0.04 119.74 120.75 1cr5 s LYS 100 Ca 0.01 -0.60 -0.25 0.00 0.02 0.00 0.00 55.97 55.15 1cr5 s LYS 100 Cb -0.09 0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.16 1cr5 s LYS 100 CO 0.01 -0.03 1.35 0.00 -0.92 0.00 0.00 175.35 175.76 1cr5 n ALA 101 N 1.67 1.65 -2.72 5.17 0.00 -1.26 -0.05 120.51 124.97 1cr5 n ALA 101 Ca -0.23 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 1cr5 n ALA 101 Cb 0.55 -2.33 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 1cr5 n ALA 101 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cr5 s PHE 102 N -1.20 2.64 -0.34 0.00 5.36 0.20 -4.67 117.98 119.97 1cr5 s PHE 102 Ca 0.61 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 56.13 1cr5 s PHE 102 Cb -0.48 -1.67 0.09 0.00 -0.34 0.00 0.00 43.02 40.62 1cr5 s PHE 102 CO 0.58 -0.06 0.05 0.34 -1.46 0.00 0.00 175.22 174.66 1cr5 s ASP 103 N -0.24 4.80 0.21 6.13 -1.08 -1.26 -4.56 116.67 120.67 1cr5 s ASP 103 Ca 0.00 -2.02 -0.09 0.00 -0.52 0.00 0.00 52.55 49.92 1cr5 s ASP 103 Cb -0.13 -1.65 0.23 0.00 -1.46 0.00 0.00 42.92 39.91 1cr5 s ASP 103 CO 0.03 -0.37 1.82 0.25 0.52 0.00 0.00 175.17 177.42 1cr5 h LEU 104 N 7.70 0.63 0.02 -1.34 6.46 -1.98 0.24 115.31 127.02 1cr5 h LEU 104 Ca -0.08 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1cr5 h LEU 104 Cb 1.03 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1cr5 h LEU 104 CO 0.54 0.41 -0.09 0.15 -0.62 0.00 0.00 178.44 178.83 1cr5 h PHE 105 N 0.76 -0.22 -0.63 1.25 3.57 -1.95 0.17 116.94 119.88 1cr5 h PHE 105 Ca 0.30 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.91 1cr5 h PHE 105 Cb 0.14 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 1cr5 h PHE 105 CO -0.06 -0.14 0.24 -0.22 -2.23 0.00 0.00 178.31 175.90 1cr5 h LYS 106 N -0.16 0.40 0.40 1.11 1.63 -1.75 0.95 116.57 119.14 1cr5 h LYS 106 Ca 0.03 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 1cr5 h LYS 106 Cb 0.19 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1cr5 h LYS 106 CO -0.08 0.27 -0.19 -0.92 -3.45 0.00 0.00 179.45 175.07 1cr5 h TYR 107 N 0.41 -0.50 0.00 1.91 3.20 -0.07 -3.39 116.97 118.53 1cr5 h TYR 107 Ca 0.32 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1cr5 h TYR 107 Cb 0.42 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1cr5 h TYR 107 CO -0.17 -0.20 -0.02 -1.13 -1.64 0.00 0.00 178.16 175.00 1cr5 n SER 108 N -5.23 1.48 0.00 -2.11 3.41 0.50 -5.09 113.62 106.58 1cr5 n SER 108 Ca -0.10 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1cr5 n SER 108 Cb 0.28 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1cr5 n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cr5 n GLY 109 N -0.48 3.63 0.27 5.00 0.00 0.33 -3.04 105.19 110.90 1cr5 n GLY 109 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1cr5 n GLY 109 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cr5 h LYS 110 N 0.00 0.93 -3.69 1.61 1.57 -1.93 -3.34 116.57 111.73 1cr5 h LYS 110 Ca 0.00 -0.44 -0.41 0.00 -1.87 0.00 0.00 60.65 57.93 1cr5 h LYS 110 Cb 0.00 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.32 1cr5 h LYS 110 CO 0.00 1.10 2.44 1.04 -0.57 0.00 0.00 179.45 183.45 1cr5 n GLN 111 N -4.08 1.82 0.00 3.15 1.13 -1.17 -3.98 117.38 114.24 1cr5 n GLN 111 Ca -0.01 -1.46 0.06 0.00 -1.94 0.00 0.00 57.00 53.64 1cr5 n GLN 111 Cb 0.50 -2.51 -0.05 0.00 0.11 0.00 0.00 30.24 28.29 1cr5 n GLN 111 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1cr5 n SER 112 N 4.93 0.77 -4.71 1.08 7.64 -1.12 -4.57 113.62 117.64 1cr5 n SER 112 Ca 0.42 -0.89 -0.26 0.00 1.01 0.00 0.00 58.87 59.16 1cr5 n SER 112 Cb 0.18 0.86 -0.07 0.00 -1.01 0.00 0.00 64.21 64.16 1cr5 n SER 112 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1cr5 s TYR 113 N -1.96 2.93 -0.34 1.43 1.51 -0.73 -1.11 117.35 119.09 1cr5 s TYR 113 Ca 0.06 -0.11 -0.20 0.00 -1.01 0.00 0.00 57.07 55.81 1cr5 s TYR 113 Cb 0.09 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.54 1cr5 s TYR 113 CO 0.43 0.53 0.60 -0.51 -1.11 0.00 0.00 175.55 175.49 1cr5 s LEU 114 N -3.13 4.23 0.07 -1.29 1.43 -0.40 -0.40 118.68 119.19 1cr5 s LEU 114 Ca 0.29 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1cr5 s LEU 114 Cb -0.09 -2.74 -0.27 0.00 0.03 0.00 0.00 46.19 43.12 1cr5 s LEU 114 CO 0.20 -0.52 1.10 1.23 0.23 0.00 0.00 176.35 178.59 1cr5 h GLY 115 N 9.22 0.25 -2.76 -3.19 0.00 -1.10 -3.37 103.07 102.12 1cr5 h GLY 115 Ca -0.27 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.40 1cr5 h GLY 115 CO 0.80 0.55 0.04 -1.35 0.00 0.00 0.00 176.54 176.59 1cr5 s SER 116 N -7.02 -0.30 -0.21 0.19 1.04 -1.21 -0.64 113.70 105.56 1cr5 s SER 116 Ca -0.04 -0.38 -0.11 0.00 0.48 0.00 0.00 55.95 55.89 1cr5 s SER 116 Cb 0.07 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.83 1cr5 s SER 116 CO 0.87 -1.00 0.50 -0.51 0.98 0.00 0.00 173.24 174.07 1cr5 s ILE 117 N -3.84 -0.11 -0.19 -1.02 2.07 0.72 -2.07 121.20 116.76 1cr5 s ILE 117 Ca 0.07 0.07 -0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1cr5 s ILE 117 Cb -0.00 -0.74 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 1cr5 s ILE 117 CO -0.06 0.03 0.06 -1.81 -1.91 0.00 0.00 174.94 171.25 1cr5 s ASP 118 N 1.63 5.55 -0.07 4.50 -0.00 -0.60 -0.33 116.67 127.35 1cr5 s ASP 118 Ca -0.09 0.03 0.04 0.00 -0.00 0.00 0.00 52.55 52.53 1cr5 s ASP 118 Cb -0.08 -1.96 0.00 0.00 -0.00 0.00 0.00 42.92 40.89 1cr5 s ASP 118 CO -0.15 0.14 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.35 1cr5 s ILE 119 N 0.58 1.57 -0.32 0.77 1.01 0.30 -0.23 121.20 124.88 1cr5 s ILE 119 Ca 0.03 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1cr5 s ILE 119 Cb -0.13 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 1cr5 s ILE 119 CO 0.01 0.45 0.69 -1.81 0.00 0.00 0.00 174.94 174.29 1cr5 s ASP 120 N 0.28 6.55 -0.04 3.58 1.01 -0.05 -0.28 116.67 127.73 1cr5 s ASP 120 Ca -0.11 0.47 0.06 0.00 0.71 0.00 0.00 52.55 53.68 1cr5 s ASP 120 Cb -0.15 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1cr5 s ASP 120 CO 0.05 -0.55 -0.23 -0.51 0.21 0.00 0.00 175.17 174.13 1cr5 s ILE 121 N 2.77 2.31 0.07 0.77 2.07 -0.46 -1.23 121.20 127.50 1cr5 s ILE 121 Ca 0.28 -1.00 -0.14 0.00 -1.41 0.00 0.00 60.65 58.38 1cr5 s ILE 121 Cb -0.14 -1.84 0.02 0.00 0.13 0.00 0.00 42.46 40.63 1cr5 s ILE 121 CO 0.13 0.58 0.33 -0.94 -1.91 0.00 0.00 174.94 173.12 1cr5 s SER 122 N -0.50 -0.13 0.30 4.50 1.04 -0.93 0.20 113.70 118.18 1cr5 s SER 122 Ca 0.06 -0.28 -0.29 0.00 0.48 0.00 0.00 55.95 55.92 1cr5 s SER 122 Cb -0.11 0.40 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 1cr5 s SER 122 CO 0.01 -0.71 1.37 -0.36 0.98 0.00 0.00 173.24 174.53 1cr5 s PHE 123 N -3.11 2.99 0.61 5.02 0.40 -1.26 -0.59 117.98 122.04 1cr5 s PHE 123 Ca -0.01 1.25 -0.20 0.00 -0.60 0.00 0.00 56.93 57.37 1cr5 s PHE 123 Cb 0.01 -3.77 -0.03 0.00 0.51 0.00 0.00 43.02 39.75 1cr5 s PHE 123 CO -0.07 -2.27 1.32 0.50 0.70 0.00 0.00 175.22 175.40 1cr5 s ARG 124 N -1.29 2.78 0.00 0.44 6.06 -0.70 -4.70 118.95 121.54 1cr5 s ARG 124 Ca 0.53 2.14 0.00 0.00 -2.50 0.00 0.00 55.73 55.90 1cr5 s ARG 124 Cb -0.41 -2.01 0.00 0.00 0.06 0.00 0.00 34.95 32.59 1cr5 s ARG 124 CO 0.50 -1.44 0.03 0.00 -2.50 0.00 0.00 175.30 171.89 1cr5 n ALA 125 N -1.56 0.05 -1.10 6.12 0.00 -1.26 -5.02 120.51 117.74 1cr5 n ALA 125 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 1cr5 n ALA 125 Cb 0.47 -0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1cr5 n ALA 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cr5 n VAL 133 N 1.76 0.00 -2.73 0.00 0.31 -1.26 -5.19 118.33 111.23 1cr5 n VAL 133 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1cr5 n VAL 133 Cb 0.00 -0.28 -0.03 0.00 -0.91 0.00 0.00 33.84 32.62 1cr5 n VAL 133 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1cr5 s PHE 134 N 1.67 2.70 -0.40 3.52 5.36 -1.26 -5.00 117.98 124.57 1cr5 s PHE 134 Ca 0.66 0.15 -0.05 0.00 -0.96 0.00 0.00 56.93 56.73 1cr5 s PHE 134 Cb -0.94 -4.27 0.09 0.00 -0.34 0.00 0.00 43.02 37.56 1cr5 s PHE 134 CO 0.51 -1.47 0.21 0.34 -1.46 0.00 0.00 175.22 173.34 1cr5 s ASP 135 N 2.93 5.35 0.10 6.13 -1.08 -1.26 -4.98 116.67 123.86 1cr5 s ASP 135 Ca 0.35 -1.78 -0.22 0.00 -0.52 0.00 0.00 52.55 50.39 1cr5 s ASP 135 Cb -0.10 -1.87 -0.12 0.00 -1.46 0.00 0.00 42.92 39.36 1cr5 s ASP 135 CO 0.21 -0.52 1.74 -0.61 0.52 0.00 0.00 175.17 176.52 1cr5 h GLN 136 N 8.18 0.04 -0.78 4.34 5.75 -1.97 -0.46 115.11 130.21 1cr5 h GLN 136 Ca -0.18 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1cr5 h GLN 136 Cb 1.06 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 1cr5 h GLN 136 CO 0.71 0.03 0.42 -0.44 -2.65 0.00 0.00 178.83 176.90 1cr5 h ASP 137 N 0.04 0.96 0.04 -0.69 3.45 -1.95 -0.69 116.42 117.58 1cr5 h ASP 137 Ca 0.02 -0.08 -0.23 0.00 0.43 0.00 0.00 57.03 57.17 1cr5 h ASP 137 Cb 0.01 -0.24 0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1cr5 h ASP 137 CO -0.03 0.78 -0.88 -0.33 -1.57 0.00 0.00 179.24 177.21 1cr5 h GLU 138 N 1.08 0.65 -0.74 3.56 4.39 -1.95 -2.14 114.58 119.43 1cr5 h GLU 138 Ca 0.27 -0.60 -0.06 0.00 0.34 0.00 0.00 59.36 59.32 1cr5 h GLU 138 Cb 0.03 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1cr5 h GLU 138 CO -0.04 1.21 0.24 -0.07 -1.16 0.00 0.00 179.01 179.18 1cr5 h LEU 139 N 0.41 1.07 -0.53 1.33 3.38 -0.85 -1.80 115.31 118.31 1cr5 h LEU 139 Ca -0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1cr5 h LEU 139 Cb 1.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1cr5 h LEU 139 CO 0.17 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.88 1cr5 h ALA 140 N 1.16 0.69 0.11 1.53 0.00 -1.08 -1.20 119.26 120.47 1cr5 h ALA 140 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cr5 h ALA 140 Cb 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1cr5 h ALA 140 CO -0.01 0.32 -0.06 0.87 0.00 0.00 0.00 179.25 180.37 1cr5 h LYS 141 N 0.72 -0.15 -0.90 0.00 1.57 -1.06 -1.58 116.57 115.17 1cr5 h LYS 141 Ca 0.17 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.05 1cr5 h LYS 141 Cb 0.23 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1cr5 h LYS 141 CO -0.01 -0.10 0.58 0.37 -0.57 0.00 0.00 179.45 179.72 1cr5 h GLN 142 N -0.16 0.93 -0.15 3.15 5.75 -1.18 0.23 115.11 123.67 1cr5 h GLN 142 Ca -0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1cr5 h GLN 142 Cb 0.13 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1cr5 h GLN 142 CO 0.01 0.62 0.06 0.35 -2.65 0.00 0.00 178.83 177.22 1cr5 h PHE 143 N 0.96 0.24 -0.39 3.99 3.57 -0.72 0.12 116.94 124.70 1cr5 h PHE 143 Ca 0.40 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.80 1cr5 h PHE 143 Cb 0.31 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1cr5 h PHE 143 CO -0.00 0.32 -0.12 0.28 -2.23 0.00 0.00 178.31 176.56 1cr5 h VAL 144 N 0.09 1.25 -0.45 1.41 2.07 -0.67 0.40 116.25 120.35 1cr5 h VAL 144 Ca 0.05 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1cr5 h VAL 144 Cb 0.19 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1cr5 h VAL 144 CO -0.00 0.39 0.12 -0.09 0.02 0.00 0.00 177.57 178.00 1cr5 h ARG 145 N 0.64 0.72 0.11 1.57 2.43 -0.22 -1.54 114.38 118.09 1cr5 h ARG 145 Ca 0.11 -0.17 -0.28 0.00 -0.81 0.00 0.00 59.98 58.84 1cr5 h ARG 145 Cb 0.57 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1cr5 h ARG 145 CO 0.04 0.71 -1.30 0.00 -1.51 0.00 0.00 179.97 177.91 1cr5 n TYR 147 N -3.49 0.11 -1.60 0.00 4.02 0.12 -4.97 117.16 111.35 1cr5 n TYR 147 Ca -0.10 -0.59 -0.46 0.00 -0.01 0.00 0.00 57.90 56.75 1cr5 n TYR 147 Cb 1.02 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 40.25 1cr5 n TYR 147 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1cr5 n GLU 148 N -0.48 1.38 -0.80 -0.72 2.13 -0.58 -0.89 120.64 120.69 1cr5 n GLU 148 Ca 0.05 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1cr5 n GLU 148 Cb 0.36 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1cr5 n GLU 148 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1cr5 n SER 149 N 1.49 0.00 -4.87 4.31 7.64 0.84 -4.98 113.62 118.05 1cr5 n SER 149 Ca 0.11 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.68 1cr5 n SER 149 Cb 0.30 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1cr5 n SER 149 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1cr5 s GLN 150 N -0.05 3.83 -0.02 1.43 -0.21 -0.07 -4.70 119.66 119.86 1cr5 s GLN 150 Ca 0.00 0.57 -0.14 0.00 0.02 0.00 0.00 55.36 55.81 1cr5 s GLN 150 Cb 0.00 -2.35 -0.05 0.00 1.00 0.00 0.00 33.01 31.61 1cr5 s GLN 150 CO 0.00 -0.06 0.37 0.42 -2.12 0.00 0.00 175.29 173.89 1cr5 s ILE 151 N -2.39 5.11 0.11 1.08 1.01 -1.26 -0.50 121.20 124.36 1cr5 s ILE 151 Ca 0.53 0.74 0.04 0.00 0.00 0.00 0.00 60.65 61.96 1cr5 s ILE 151 Cb -0.10 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1cr5 s ILE 151 CO 0.30 0.58 -0.10 -0.36 0.00 0.00 0.00 174.94 175.36 1cr5 s PHE 152 N -1.00 1.08 0.02 3.97 0.40 -0.22 -4.87 117.98 117.37 1cr5 s PHE 152 Ca 0.22 -0.70 -0.14 0.00 -0.60 0.00 0.00 56.93 55.71 1cr5 s PHE 152 Cb -0.16 -0.59 0.02 0.00 0.51 0.00 0.00 43.02 42.80 1cr5 s PHE 152 CO 0.12 0.00 0.29 -1.54 0.70 0.00 0.00 175.22 174.79 1cr5 s SER 153 N -2.65 -0.13 0.61 1.36 1.04 -1.26 -1.87 113.70 110.80 1cr5 s SER 153 Ca 0.08 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.22 1cr5 s SER 153 Cb -0.01 0.33 -0.06 0.00 0.10 0.00 0.00 66.02 66.38 1cr5 s SER 153 CO -0.00 -0.55 0.69 -2.65 0.98 0.00 0.00 173.24 171.71 1cr5 n PRO 154 N 0.84 0.60 0.00 4.02 -0.02 -1.26 -1.72 135.00 137.46 1cr5 n PRO 154 Ca -0.20 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1cr5 n PRO 154 Cb 0.58 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1cr5 n PRO 154 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1cr5 n THR 155 N -1.86 0.00 -1.69 3.45 -2.24 0.11 -4.00 114.28 108.04 1cr5 n THR 155 Ca 0.12 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.47 1cr5 n THR 155 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.69 1cr5 n THR 155 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1cr5 n GLN 156 N -1.98 2.21 -4.62 -0.78 7.27 -0.70 -4.61 117.38 114.18 1cr5 n GLN 156 Ca 0.00 0.79 -0.33 0.00 0.07 0.00 0.00 57.00 57.53 1cr5 n GLN 156 Cb 0.00 -2.47 -0.15 0.00 2.41 0.00 0.00 30.24 30.03 1cr5 n GLN 156 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1cr5 s TYR 157 N -0.13 2.79 0.20 3.69 6.04 -1.26 -0.08 117.35 128.60 1cr5 s TYR 157 Ca 0.66 -0.91 -0.07 0.00 0.04 0.00 0.00 57.07 56.79 1cr5 s TYR 157 Cb -0.60 -1.87 -0.02 0.00 -1.04 0.00 0.00 41.96 38.42 1cr5 s TYR 157 CO 0.50 -0.39 0.27 -0.48 -1.54 0.00 0.00 175.55 173.91 1cr5 s LEU 158 N 0.67 0.91 -0.11 6.97 2.34 0.58 -3.97 118.68 126.05 1cr5 s LEU 158 Ca -0.07 -1.08 -0.00 0.00 0.06 0.00 0.00 54.13 53.03 1cr5 s LEU 158 Cb -0.16 1.02 -0.02 0.00 -0.56 0.00 0.00 46.19 46.47 1cr5 s LEU 158 CO 0.02 -0.93 -0.11 -0.63 -1.06 0.00 0.00 176.35 173.64 1cr5 s ILE 159 N -4.05 3.28 -0.02 1.48 1.01 -1.26 -0.05 121.20 121.60 1cr5 s ILE 159 Ca 0.26 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1cr5 s ILE 159 Cb 0.04 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1cr5 s ILE 159 CO 0.07 0.54 -0.09 -0.32 0.00 0.00 0.00 174.94 175.14 1cr5 s MET 160 N 0.04 0.80 -0.06 2.79 -2.45 -0.54 -4.63 119.30 115.26 1cr5 s MET 160 Ca -0.03 -0.30 -0.11 0.00 -1.25 0.00 0.00 55.69 54.00 1cr5 s MET 160 Cb -0.14 -0.77 -0.05 0.00 1.25 0.00 0.00 34.83 35.12 1cr5 s MET 160 CO 0.04 0.14 0.28 -2.00 1.05 0.00 0.00 175.02 174.54 1cr5 s GLU 161 N 0.01 3.71 -0.20 4.11 -6.30 -1.26 -0.29 118.70 118.48 1cr5 s GLU 161 Ca 0.00 0.16 -0.04 0.00 -2.50 0.00 0.00 54.97 52.59 1cr5 s GLU 161 Cb -0.06 -3.21 0.10 0.00 0.00 0.00 0.00 34.13 30.96 1cr5 s GLU 161 CO -0.00 0.72 0.27 0.12 0.02 0.00 0.00 175.26 176.39 1cr5 s PHE 162 N -1.02 -0.45 -1.22 5.30 5.36 0.15 -4.94 117.98 121.15 1cr5 s PHE 162 Ca 0.20 0.57 -0.18 0.00 -0.96 0.00 0.00 56.93 56.56 1cr5 s PHE 162 Cb -0.14 -0.18 0.00 0.00 -0.34 0.00 0.00 43.02 42.35 1cr5 s PHE 162 CO 0.09 -0.57 0.67 1.04 -1.46 0.00 0.00 175.22 174.99 1cr5 n GLN 163 N 5.34 -1.60 -0.56 10.12 6.02 -1.26 -1.63 117.38 133.81 1cr5 n GLN 163 Ca -0.05 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1cr5 n GLN 163 Cb 0.50 -3.98 0.00 0.00 1.02 0.00 0.00 30.24 27.78 1cr5 n GLN 163 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cr5 n GLY 164 N -1.83 1.72 3.46 1.08 0.00 -1.26 -5.01 105.19 103.35 1cr5 n GLY 164 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1cr5 n GLY 164 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cr5 s HIS 165 N -3.40 2.54 -0.10 1.61 3.76 -0.65 -5.12 115.29 113.94 1cr5 s HIS 165 Ca 0.00 -0.26 -0.06 0.00 -0.15 0.00 0.00 55.06 54.59 1cr5 s HIS 165 Cb 0.00 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.23 1cr5 s HIS 165 CO 0.00 0.29 0.14 -0.06 -0.85 0.00 0.00 174.74 174.27 1cr5 s PHE 166 N -0.99 3.57 0.08 1.40 2.99 -1.26 0.33 117.98 124.09 1cr5 s PHE 166 Ca 0.16 0.48 0.04 0.00 0.00 0.00 0.00 56.93 57.60 1cr5 s PHE 166 Cb -0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 43.02 40.97 1cr5 s PHE 166 CO 0.07 0.71 -0.10 -0.06 -0.00 0.00 0.00 175.22 175.83 1cr5 s PHE 167 N -1.09 0.99 -0.23 0.36 0.40 0.60 -1.72 117.98 117.30 1cr5 s PHE 167 Ca 0.17 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1cr5 s PHE 167 Cb -0.12 -0.55 -0.05 0.00 0.51 0.00 0.00 43.02 42.80 1cr5 s PHE 167 CO 0.07 -0.01 0.17 -0.51 0.70 0.00 0.00 175.22 175.63 1cr5 s ASP 168 N -2.06 6.15 -0.12 1.36 1.01 0.24 -1.47 116.67 121.78 1cr5 s ASP 168 Ca -0.00 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.41 1cr5 s ASP 168 Cb -0.06 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1cr5 s ASP 168 CO 0.00 0.08 -0.14 -0.76 0.21 0.00 0.00 175.17 174.56 1cr5 s LEU 169 N 0.95 2.67 -0.17 1.23 1.43 0.93 -2.19 118.68 123.52 1cr5 s LEU 169 Ca 0.08 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1cr5 s LEU 169 Cb -0.13 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1cr5 s LEU 169 CO 0.04 0.18 -0.18 -0.75 0.23 0.00 0.00 176.35 175.86 1cr5 s LYS 170 N 0.24 2.80 -0.34 1.70 2.47 -0.37 -0.31 119.74 125.94 1cr5 s LYS 170 Ca -0.09 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.27 1cr5 s LYS 170 Cb -0.16 -2.44 -0.00 0.00 -1.46 0.00 0.00 37.83 33.77 1cr5 s LYS 170 CO 0.05 -0.21 1.49 0.42 0.16 0.00 0.00 175.35 177.26 1cr5 s ILE 171 N 1.33 3.85 -0.07 5.43 -1.09 0.89 -0.87 121.20 130.68 1cr5 s ILE 171 Ca 0.05 0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 59.21 1cr5 s ILE 171 Cb -0.13 -4.01 -0.12 0.00 -1.58 0.00 0.00 42.46 36.62 1cr5 s ILE 171 CO -0.12 -0.55 0.64 -0.09 -1.23 0.00 0.00 174.94 173.59 1cr5 h ARG 172 N 10.70 -0.21 -3.79 2.79 2.43 -0.94 0.32 114.38 125.68 1cr5 h ARG 172 Ca -0.29 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1cr5 h ARG 172 Cb 1.12 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.60 1cr5 h ARG 172 CO 1.05 0.14 -0.25 0.54 -1.51 0.00 0.00 179.97 179.94 1cr5 s ASN 173 N -5.45 -0.02 0.09 -3.80 4.22 -1.20 -4.42 114.94 104.35 1cr5 s ASN 173 Ca -0.10 -0.84 0.03 0.00 -2.14 0.00 0.00 52.86 49.81 1cr5 s ASN 173 Cb 0.00 0.48 -0.04 0.00 1.28 0.00 0.00 41.25 42.97 1cr5 s ASN 173 CO 0.35 -0.95 -0.08 0.68 -2.04 0.00 0.00 177.10 175.06 1cr5 s VAL 174 N -3.97 0.76 -0.32 3.54 -7.23 -0.23 -1.56 120.40 111.39 1cr5 s VAL 174 Ca 0.18 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1cr5 s VAL 174 Cb 0.02 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.66 1cr5 s VAL 174 CO 0.01 -0.69 0.08 -1.58 -0.31 0.00 0.00 175.10 172.62 1cr5 s GLN 175 N -3.12 1.05 0.34 4.82 2.00 -0.88 0.66 119.66 124.52 1cr5 s GLN 175 Ca 0.06 -1.43 -0.26 0.00 -2.00 0.00 0.00 55.36 51.74 1cr5 s GLN 175 Cb 0.00 -2.51 -0.10 0.00 0.80 0.00 0.00 33.01 31.20 1cr5 s GLN 175 CO -0.02 -0.97 0.98 0.00 -0.50 0.00 0.00 175.29 174.78 1cr5 s ALA 176 N 1.29 3.19 0.10 1.58 0.00 -1.26 -0.49 121.76 126.17 1cr5 s ALA 176 Ca 0.10 0.59 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 1cr5 s ALA 176 Cb -0.18 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 1cr5 s ALA 176 CO -0.18 0.05 0.21 0.96 0.00 0.00 0.00 175.76 176.80 1cr5 s ILE 177 N -1.61 0.13 -0.23 0.00 -4.36 0.47 -4.62 121.20 110.98 1cr5 s ILE 177 Ca 0.52 -1.20 -0.10 0.00 -0.26 0.00 0.00 60.65 59.61 1cr5 s ILE 177 Cb -0.20 -1.42 -0.05 0.00 1.25 0.00 0.00 42.46 42.04 1cr5 s ILE 177 CO 0.26 -0.58 0.13 -0.62 0.24 0.00 0.00 174.94 174.36 1cr5 s ASP 178 N -2.88 5.88 0.32 4.36 -1.08 -1.26 -1.77 116.67 120.24 1cr5 s ASP 178 Ca 0.07 0.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.38 1cr5 s ASP 178 Cb 0.05 -2.05 1.17 0.00 -1.46 0.00 0.00 42.92 40.62 1cr5 s ASP 178 CO -0.09 0.06 1.71 -0.07 0.52 0.00 0.00 175.17 177.30 1cr5 h LEU 179 N 7.55 0.00 -0.04 -1.34 3.38 -1.95 -1.85 115.31 121.07 1cr5 h LEU 179 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1cr5 h LEU 179 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1cr5 h LEU 179 CO 0.64 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.78 1cr5 n GLY 180 N -0.90 -1.54 3.86 0.83 0.00 -1.26 -4.81 105.19 101.37 1cr5 n GLY 180 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1cr5 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cr5 s ASP 181 N -3.69 6.23 0.00 1.61 1.01 -0.70 -4.98 116.67 116.15 1cr5 s ASP 181 Ca 0.12 0.37 0.19 0.00 0.71 0.00 0.00 52.55 53.94 1cr5 s ASP 181 Cb 0.15 -1.96 1.05 0.00 1.01 0.00 0.00 42.92 43.17 1cr5 s ASP 181 CO 0.53 0.34 1.58 2.30 0.21 0.00 0.00 175.17 180.14 1cr5 n ILE 182 N 1.55 0.26 -3.53 0.77 -5.35 -1.26 -4.77 119.36 107.04 1cr5 n ILE 182 Ca -0.16 0.07 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 1cr5 n ILE 182 Cb 0.54 -0.75 -0.04 0.00 -1.74 0.00 0.00 39.64 37.64 1cr5 n ILE 182 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1cr5 s GLU 183 N -2.35 0.86 0.30 6.28 -1.05 -1.26 -5.15 118.70 116.33 1cr5 s GLU 183 Ca 0.23 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.79 1cr5 s GLU 183 Cb 0.13 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1cr5 s GLU 183 CO 0.27 -0.30 1.38 -1.25 0.95 0.00 0.00 175.26 176.31 1cr5 s PRO 184 N -1.79 4.29 -0.02 -4.83 0.04 -1.26 -4.91 135.00 126.52 1cr5 s PRO 184 Ca -0.03 2.29 0.14 0.00 0.04 0.00 0.00 61.00 63.43 1cr5 s PRO 184 Cb -0.00 -3.08 -0.21 0.00 0.04 0.00 0.00 34.50 31.25 1cr5 s PRO 184 CO 0.01 -0.33 0.69 2.41 0.04 0.00 0.00 177.00 179.82 1cr5 n THR 185 N 1.49 1.50 -3.80 1.26 -1.04 -1.26 -4.89 114.28 107.54 1cr5 n THR 185 Ca 0.03 -0.77 -0.24 0.00 -2.04 0.00 0.00 64.05 61.03 1cr5 n THR 185 Cb 0.41 -0.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.94 1cr5 n THR 185 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1cr5 s SER 186 N -6.00 6.34 0.70 8.00 1.04 -1.26 -5.11 113.70 117.40 1cr5 s SER 186 Ca -0.04 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.55 1cr5 s SER 186 Cb 0.08 -1.94 0.05 0.00 0.10 0.00 0.00 66.02 64.32 1cr5 s SER 186 CO 0.82 -0.07 1.02 0.00 0.98 0.00 0.00 173.24 175.99 1cr5 s ALA 187 N -1.95 3.12 0.25 5.32 0.00 -1.26 -4.86 121.76 122.38 1cr5 s ALA 187 Ca 0.36 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 1cr5 s ALA 187 Cb -0.10 -2.65 -0.13 0.00 0.00 0.00 0.00 23.12 20.24 1cr5 s ALA 187 CO 0.30 -1.25 1.52 0.28 0.00 0.00 0.00 175.76 176.61 1cr5 n VAL 188 N -2.91 0.77 -4.31 0.00 0.31 -1.26 -4.66 118.33 106.27 1cr5 n VAL 188 Ca 0.07 -0.19 -0.32 0.00 -0.01 0.00 0.00 64.34 63.89 1cr5 n VAL 188 Cb 0.60 -1.70 -0.09 0.00 -0.91 0.00 0.00 33.84 31.74 1cr5 n VAL 188 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cr5 s ALA 189 N 0.19 3.22 -0.03 3.52 0.00 0.21 -4.95 121.76 123.92 1cr5 s ALA 189 Ca 0.69 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1cr5 s ALA 189 Cb -0.59 -1.28 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1cr5 s ALA 189 CO 0.46 0.64 0.22 0.25 0.00 0.00 0.00 175.76 177.34 1cr5 n THR 190 N 1.39 0.00 -3.63 0.00 -2.24 -1.26 -1.06 114.28 107.48 1cr5 n THR 190 Ca -0.15 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 60.81 1cr5 n THR 190 Cb 0.53 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 1cr5 n THR 190 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1cr5 s GLY 191 N -0.62 2.29 0.41 3.38 0.00 -1.26 -4.60 107.32 106.92 1cr5 s GLY 191 Ca 0.00 -0.47 0.28 0.00 0.00 0.00 0.00 44.72 44.54 1cr5 s GLY 191 CO 0.01 -0.30 1.86 1.19 0.00 0.00 0.00 173.10 175.86 1cr5 h ILE 192 N 2.55 0.00 -0.02 0.90 2.10 -1.93 -2.51 117.51 118.60 1cr5 h ILE 192 Ca -0.48 -0.04 -0.08 0.00 1.08 0.00 0.00 64.86 65.33 1cr5 h ILE 192 Cb 1.18 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.60 1cr5 h ILE 192 CO 0.69 0.00 -0.39 -0.33 -1.08 0.00 0.00 178.15 177.04 1cr5 h GLU 193 N 0.00 0.04 -6.07 2.19 3.07 -1.93 -3.41 114.58 108.46 1cr5 h GLU 193 Ca 0.00 -0.02 -0.59 0.00 -0.50 0.00 0.00 59.36 58.26 1cr5 h GLU 193 Cb 0.06 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.89 1cr5 h GLU 193 CO 0.00 0.42 0.67 0.99 -1.40 0.00 0.00 179.01 179.69 1cr5 s THR 194 N -4.16 4.64 0.01 1.13 2.01 -0.94 -5.02 115.64 113.30 1cr5 s THR 194 Ca -0.03 1.56 0.08 0.00 0.31 0.00 0.00 61.69 63.61 1cr5 s THR 194 Cb 0.14 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1cr5 s THR 194 CO 0.73 -0.35 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.54 1cr5 s LYS 195 N 3.33 1.76 0.04 4.92 1.02 -1.26 -4.11 119.74 125.43 1cr5 s LYS 195 Ca 0.40 -0.93 -0.13 0.00 0.02 0.00 0.00 55.97 55.33 1cr5 s LYS 195 Cb -0.13 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.40 1cr5 s LYS 195 CO 0.13 0.48 0.29 0.20 -0.92 0.00 0.00 175.35 175.53 1cr5 s GLY 196 N -0.86 -0.11 -0.04 -3.33 0.00 -0.78 -4.72 107.32 97.47 1cr5 s GLY 196 Ca 0.09 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.58 1cr5 s GLY 196 CO 0.00 -0.19 0.77 -0.42 0.00 0.00 0.00 173.10 173.26 1cr5 s ILE 197 N -2.39 4.99 -0.07 0.90 1.01 -0.26 -1.05 121.20 124.33 1cr5 s ILE 197 Ca -0.06 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 61.88 1cr5 s ILE 197 Cb -0.01 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1cr5 s ILE 197 CO -0.02 0.24 1.13 -0.22 0.00 0.00 0.00 174.94 176.06 1cr5 s LEU 198 N 0.79 4.27 0.44 2.97 2.96 0.34 -1.28 118.68 129.18 1cr5 s LEU 198 Ca 0.41 1.72 0.05 0.00 -0.22 0.00 0.00 54.13 56.08 1cr5 s LEU 198 Cb -0.19 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1cr5 s LEU 198 CO 0.21 -0.52 0.01 0.42 -1.32 0.00 0.00 176.35 175.14 1cr5 s THR 199 N 2.07 1.67 -0.70 3.68 -4.23 -1.26 -0.12 115.64 116.75 1cr5 s THR 199 Ca 0.53 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.22 1cr5 s THR 199 Cb -0.22 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.09 1cr5 s THR 199 CO 0.21 0.00 1.56 0.29 -0.54 0.00 0.00 174.62 176.14 1cr5 n LYS 200 N -1.06 0.10 -0.16 3.99 5.02 -1.26 -2.00 118.16 122.79 1cr5 n LYS 200 Ca -0.10 0.38 0.11 0.00 -2.02 0.00 0.00 58.31 56.68 1cr5 n LYS 200 Cb 0.67 -1.70 0.19 0.00 -0.02 0.00 0.00 35.03 34.17 1cr5 n LYS 200 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1cr5 n GLN 201 N -1.89 2.41 -2.37 1.97 3.00 -1.26 -4.95 117.38 114.29 1cr5 n GLN 201 Ca 0.02 -2.19 -0.42 0.00 -0.01 0.00 0.00 57.00 54.40 1cr5 n GLN 201 Cb 0.17 -1.48 -0.03 0.00 0.00 0.00 0.00 30.24 28.90 1cr5 n GLN 201 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1cr5 s THR 202 N -1.48 3.90 -0.09 5.09 2.01 -0.84 -4.90 115.64 119.32 1cr5 s THR 202 Ca 0.36 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1cr5 s THR 202 Cb 0.21 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1cr5 s THR 202 CO 0.30 0.10 1.00 -1.58 -0.69 0.00 0.00 174.62 173.75 1cr5 s GLN 203 N 1.17 4.44 -0.19 4.92 0.74 0.18 -4.91 119.66 126.02 1cr5 s GLN 203 Ca 0.60 1.39 -0.04 0.00 0.05 0.00 0.00 55.36 57.36 1cr5 s GLN 203 Cb -0.31 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1cr5 s GLN 203 CO 0.29 -0.28 -0.03 0.42 -0.55 0.00 0.00 175.29 175.14 1cr5 s ILE 204 N 1.89 3.77 -0.18 -2.34 1.01 -1.26 -0.20 121.20 123.89 1cr5 s ILE 204 Ca 0.49 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1cr5 s ILE 204 Cb -0.19 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1cr5 s ILE 204 CO 0.19 0.45 -0.17 0.20 0.00 0.00 0.00 174.94 175.61 1cr5 s ASN 205 N 0.88 3.41 0.04 3.58 0.01 0.55 -4.93 114.94 118.47 1cr5 s ASN 205 Ca -0.00 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.58 1cr5 s ASN 205 Cb -0.14 -1.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.94 1cr5 s ASN 205 CO 0.02 0.01 0.12 -0.36 -1.51 0.00 0.00 177.10 175.38 1cr5 s PHE 206 N 1.25 3.34 -0.18 2.20 0.40 -1.26 0.11 117.98 123.84 1cr5 s PHE 206 Ca 0.03 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1cr5 s PHE 206 Cb -0.14 -1.71 0.05 0.00 0.51 0.00 0.00 43.02 41.73 1cr5 s PHE 206 CO -0.09 0.56 -0.05 -0.06 0.70 0.00 0.00 175.22 176.28 1cr5 s PHE 207 N -1.36 1.84 -0.42 0.36 0.40 0.62 -4.91 117.98 114.52 1cr5 s PHE 207 Ca 0.29 -1.23 -0.31 0.00 -0.60 0.00 0.00 56.93 55.07 1cr5 s PHE 207 Cb -0.12 -1.37 -0.10 0.00 0.51 0.00 0.00 43.02 41.93 1cr5 s PHE 207 CO 0.21 -0.66 2.30 1.17 0.70 0.00 0.00 175.22 178.94 1cr5 n LYS 208 N 4.83 1.15 -1.64 0.44 4.81 -1.26 -1.35 118.16 125.14 1cr5 n LYS 208 Ca -0.12 0.25 -0.50 0.00 -0.87 0.00 0.00 58.31 57.07 1cr5 n LYS 208 Cb 0.47 -2.75 -0.05 0.00 0.02 0.00 0.00 35.03 32.71 1cr5 n LYS 208 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cr5 n GLY 209 N 6.27 1.19 2.73 3.14 0.00 0.54 -4.89 105.19 114.15 1cr5 n GLY 209 Ca 0.40 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.31 1cr5 n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86