#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 3.79 -0.22 1.09 3.00 0.41 -4.92 118.95 122.10 1cr5 s ARG 27 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 55.73 55.91 1cr5 s ARG 27 Cb 0.00 -2.87 -0.00 0.00 0.00 0.00 0.00 34.95 32.07 1cr5 s ARG 27 CO 0.00 0.47 -0.06 -1.01 0.00 0.00 0.00 175.30 174.70 1cr5 s HIS 28 N -1.56 2.94 0.07 -0.53 3.76 -1.26 -0.35 115.29 118.36 1cr5 s HIS 28 Ca 0.39 -1.05 0.04 0.00 -0.15 0.00 0.00 55.06 54.29 1cr5 s HIS 28 Cb -0.13 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1cr5 s HIS 28 CO 0.20 -0.59 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.87 1cr5 s LEU 29 N 1.45 2.30 -0.14 0.89 1.43 -0.19 -4.83 118.68 119.59 1cr5 s LEU 29 Ca 0.05 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.41 1cr5 s LEU 29 Cb -0.14 -0.42 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 1cr5 s LEU 29 CO -0.04 -0.13 0.22 -0.54 0.23 0.00 0.00 176.35 176.09 1cr5 s LYS 30 N -1.89 3.96 0.13 1.70 1.02 -0.48 0.08 119.74 124.26 1cr5 s LYS 30 Ca -0.02 -0.01 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 1cr5 s LYS 30 Cb -0.09 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 1cr5 s LYS 30 CO 0.02 0.47 1.15 0.08 -0.92 0.00 0.00 175.35 176.15 1cr5 s VAL 31 N -0.19 3.89 0.10 3.17 1.01 -0.87 -0.65 120.40 126.86 1cr5 s VAL 31 Ca 0.15 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.67 1cr5 s VAL 31 Cb -0.13 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1cr5 s VAL 31 CO 0.04 0.20 -0.10 -0.94 0.00 0.00 0.00 175.10 174.30 1cr5 s SER 32 N 0.39 1.48 0.33 3.32 1.04 -0.37 0.41 113.70 120.30 1cr5 s SER 32 Ca 0.53 -0.86 -0.27 0.00 0.48 0.00 0.00 55.95 55.84 1cr5 s SER 32 Cb -0.30 0.01 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 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 -2.59 7.10 -0.45 7.02 2.47 -1.26 -1.58 114.94 125.66 1cr5 s ASN 33 Ca 0.07 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 -0.25 0.34 0.00 -3.72 0.00 0.00 177.10 173.47 1cr5 n PRO 35 N 2.87 0.49 -1.88 0.00 -0.04 -1.26 -4.06 135.00 131.13 1cr5 n PRO 35 Ca 0.26 -0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1cr5 n PRO 35 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.65 6.56 0.65 3.54 3.84 -1.26 -4.70 114.94 120.91 1cr5 s ASN 36 Ca 0.23 2.57 0.31 0.00 0.21 0.00 0.00 52.86 56.17 1cr5 s ASN 36 Cb 0.19 -2.57 1.68 0.00 -0.55 0.00 0.00 41.25 40.00 1cr5 s ASN 36 CO 0.53 -0.91 1.97 -0.55 -2.79 0.00 0.00 177.10 175.35 1cr5 h ASN 37 N 8.21 0.00 0.52 -4.21 7.08 -1.96 0.39 115.58 125.61 1cr5 h ASN 37 Ca -0.43 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.75 1cr5 h ASN 37 Cb 1.21 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.44 1cr5 h ASN 37 CO 0.93 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 -3.12 113.55 114.61 1cr5 h SER 38 Ca 0.04 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 1cr5 h SER 38 Cb 0.67 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1cr5 h SER 38 CO -0.00 0.17 -1.56 -1.22 -1.14 0.00 0.00 176.83 173.08 1cr5 n TYR 39 N -3.60 0.00 -0.22 3.45 4.02 -0.05 -4.44 117.16 116.33 1cr5 n TYR 39 Ca -0.01 0.00 0.31 0.00 -0.01 0.00 0.00 57.90 58.18 1cr5 n TYR 39 Cb 0.30 -0.51 0.73 0.00 -0.02 0.00 0.00 39.34 39.85 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 -0.59 2.92 -0.00 -0.72 0.00 -1.18 -0.22 119.26 119.47 1cr5 h ALA 40 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1cr5 h ALA 40 Cb 1.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1cr5 h ALA 40 CO -0.18 -1.21 -0.84 1.28 0.00 0.00 0.00 179.25 178.29 1cr5 n LEU 41 N -4.22 1.12 -0.65 0.00 4.32 -1.18 -4.25 117.00 112.13 1cr5 n LEU 41 Ca 0.20 -0.48 0.13 0.00 -0.02 0.00 0.00 56.01 55.84 1cr5 n LEU 41 Cb 1.05 -0.03 0.32 0.00 -1.62 0.00 0.00 43.42 43.14 1cr5 n LEU 41 CO 0.39 0.26 0.73 0.00 -1.22 0.00 0.00 177.39 177.55 1cr5 n ALA 42 N -1.23 2.61 -3.78 -1.18 0.00 -0.10 -4.72 120.51 112.11 1cr5 n ALA 42 Ca 0.05 -0.55 -0.33 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 18.83 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 0.57 -4.43 -4.46 0.00 5.15 -1.19 -4.91 115.26 105.99 1cr5 n ASN 43 Ca 0.16 -1.06 -0.25 0.00 -0.60 0.00 0.00 54.58 52.83 1cr5 n ASN 43 Cb 0.46 -3.06 -0.10 0.00 -0.53 0.00 0.00 39.78 36.54 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 -3.55 1.24 -0.33 3.44 -7.23 -1.26 -4.55 120.40 108.17 1cr5 s VAL 44 Ca 0.41 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.50 1cr5 s VAL 44 Cb -0.16 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1cr5 s VAL 44 CO 0.88 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 175.81 1cr5 s ALA 45 N -3.13 3.16 -0.16 1.32 0.00 -0.37 -4.84 121.76 117.75 1cr5 s ALA 45 Ca 0.31 -1.58 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 1cr5 s ALA 45 Cb 0.07 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1cr5 s ALA 45 CO 0.15 -1.14 1.30 0.00 0.00 0.00 0.00 175.76 176.06 1cr5 s ALA 46 N 1.52 3.65 0.19 0.00 0.00 -0.66 -1.47 121.76 124.98 1cr5 s ALA 46 Ca 0.02 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.52 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 0.04 -1.22 -0.09 0.14 0.00 0.00 0.00 175.76 174.64 1cr5 s VAL 47 N 3.59 1.32 0.34 0.00 -7.23 -0.16 -0.80 120.40 117.45 1cr5 s VAL 47 Ca 0.56 -2.10 -0.26 0.00 -1.81 0.00 0.00 61.98 58.38 1cr5 s VAL 47 Cb -0.23 -2.03 -0.10 0.00 0.56 0.00 0.00 36.38 34.59 1cr5 s VAL 47 CO 0.16 -0.60 0.99 -0.55 -0.31 0.00 0.00 175.10 174.80 1cr5 s SER 48 N -3.25 7.18 0.58 4.85 0.15 -1.26 -1.33 113.70 120.61 1cr5 s SER 48 Ca 0.21 1.95 0.28 0.00 0.70 0.00 0.00 55.95 59.09 1cr5 s SER 48 Cb 0.02 -2.59 1.58 0.00 -1.71 0.00 0.00 66.02 63.33 1cr5 s SER 48 CO 0.04 -0.19 2.07 -0.65 1.20 0.00 0.00 173.24 175.72 1cr5 h PRO 49 N 3.10 0.00 -0.20 5.44 0.11 -1.80 -1.53 132.00 137.12 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cr5 h PRO 49 CO 0.65 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1cr5 n ASN 50 N -3.91 2.17 -0.11 -2.05 0.23 -1.26 -4.13 115.26 106.20 1cr5 n ASN 50 Ca 0.03 -1.78 -0.15 0.00 -0.53 0.00 0.00 54.58 52.15 1cr5 n ASN 50 Cb 0.38 -0.13 -0.11 0.00 -2.08 0.00 0.00 39.78 37.85 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 0.66 2.17 -3.74 0.53 8.00 -0.59 -5.04 116.55 118.54 1cr5 n ASP 51 Ca 0.17 -0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 1cr5 n ASP 51 Cb 0.42 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.45 -0.15 0.88 1.24 0.40 -1.17 -4.99 117.98 111.74 1cr5 s PHE 52 Ca -0.29 0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.01 1cr5 s PHE 52 Cb 0.08 0.11 0.12 0.00 0.51 0.00 0.00 43.02 43.84 1cr5 s PHE 52 CO 0.53 -0.49 1.12 -1.25 0.70 0.00 0.00 175.22 175.83 1cr5 s PRO 53 N -2.24 1.42 0.36 0.24 0.04 -1.26 -4.54 135.00 129.02 1cr5 s PRO 53 Ca -0.07 0.41 -0.18 0.00 0.04 0.00 0.00 61.00 61.20 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 0.84 1.21 0.04 0.00 0.00 177.00 177.05 1cr5 s ASN 54 N -3.97 6.89 -1.38 6.66 2.47 -1.26 -4.34 114.94 120.01 1cr5 s ASN 54 Ca 0.63 1.49 -0.04 0.00 0.42 0.00 0.00 52.86 55.36 1cr5 s ASN 54 Cb -0.15 -2.46 0.03 0.00 -1.45 0.00 0.00 41.25 37.22 1cr5 s ASN 54 CO 0.54 -0.26 0.80 -3.20 -3.72 0.00 0.00 177.10 171.26 1cr5 n ASN 55 N -0.39 -2.42 -4.46 -4.21 5.15 -0.39 -4.96 115.26 103.59 1cr5 n ASN 55 Ca 0.05 -0.80 -0.22 0.00 -0.60 0.00 0.00 54.58 53.01 1cr5 n ASN 55 Cb 0.53 -4.03 -0.10 0.00 -0.53 0.00 0.00 39.78 35.64 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 -3.55 1.56 0.06 -1.44 -4.36 -1.26 -4.83 121.20 107.39 1cr5 s ILE 56 Ca 0.22 -2.08 -0.21 0.00 -0.26 0.00 0.00 60.65 58.33 1cr5 s ILE 56 Cb -0.11 -2.61 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 1cr5 s ILE 56 CO 0.82 -0.18 0.61 -0.31 0.24 0.00 0.00 174.94 176.12 1cr5 s TYR 57 N -3.05 3.78 0.07 1.37 4.12 -1.26 -0.34 117.35 122.04 1cr5 s TYR 57 Ca 0.32 1.31 0.03 0.00 0.02 0.00 0.00 57.07 58.75 1cr5 s TYR 57 Cb 0.06 -2.58 -0.03 0.00 -1.52 0.00 0.00 41.96 37.88 1cr5 s TYR 57 CO 0.14 0.50 -0.08 0.96 0.02 0.00 0.00 175.55 177.08 1cr5 s ILE 58 N -0.79 0.72 -0.08 2.71 -4.36 -0.22 -0.62 121.20 118.56 1cr5 s ILE 58 Ca 0.31 -1.48 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1cr5 s ILE 58 Cb -0.20 -1.14 -0.00 0.00 1.25 0.00 0.00 42.46 42.38 1cr5 s ILE 58 CO 0.20 -0.56 -0.22 -0.51 0.24 0.00 0.00 174.94 174.09 1cr5 s ILE 59 N -2.29 1.85 -0.17 8.37 2.07 0.11 -1.37 121.20 129.77 1cr5 s ILE 59 Ca 0.01 -0.91 -0.06 0.00 -1.41 0.00 0.00 60.65 58.28 1cr5 s ILE 59 Cb -0.04 -1.60 -0.03 0.00 0.13 0.00 0.00 42.46 40.92 1cr5 s ILE 59 CO -0.01 0.51 0.02 -0.63 -1.91 0.00 0.00 174.94 172.92 1cr5 s ILE 60 N 0.24 4.36 -1.47 2.00 1.09 0.26 -1.53 121.20 126.15 1cr5 s ILE 60 Ca -0.13 -0.19 -0.04 0.00 -1.10 0.00 0.00 60.65 59.19 1cr5 s ILE 60 Cb -0.16 -2.94 0.02 0.00 -1.06 0.00 0.00 42.46 38.32 1cr5 s ILE 60 CO 0.06 0.47 0.41 0.47 -0.10 0.00 0.00 174.94 176.25 1cr5 n ASP 61 N 3.59 -5.27 -1.81 3.58 8.00 0.11 -1.88 116.55 122.87 1cr5 n ASP 61 Ca -0.17 -0.20 -0.21 0.00 0.71 0.00 0.00 54.79 54.92 1cr5 n ASP 61 Cb 0.52 -4.32 -0.07 0.00 -0.02 0.00 0.00 41.12 37.23 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 -5.63 0.00 -2.24 5.03 -1.26 -4.71 115.26 104.15 1cr5 n ASN 62 Ca -0.12 0.38 0.00 0.00 0.87 0.00 0.00 54.58 55.72 1cr5 n ASN 62 Cb 0.61 -4.89 0.00 0.00 -1.02 0.00 0.00 39.78 34.48 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 -2.54 0.00 -4.57 3.41 4.77 -0.89 -5.09 117.00 112.09 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 0.69 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 1cr5 n LEU 63 CO 0.31 -0.17 -0.05 -0.36 -1.33 0.00 0.00 177.39 175.79 1cr5 s PHE 64 N -1.34 3.22 -0.18 -1.77 0.40 -0.79 -4.89 117.98 112.64 1cr5 s PHE 64 Ca 0.00 0.06 -0.08 0.00 -0.60 0.00 0.00 56.93 56.31 1cr5 s PHE 64 Cb 0.00 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1cr5 s PHE 64 CO 0.00 -0.30 0.09 0.08 0.70 0.00 0.00 175.22 175.79 1cr5 s VAL 65 N 1.89 5.07 0.09 -0.44 1.01 -1.26 0.90 120.40 127.66 1cr5 s VAL 65 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1cr5 s VAL 65 Cb -0.16 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1cr5 s VAL 65 CO 0.11 0.48 -0.00 -0.36 0.00 0.00 0.00 175.10 175.32 1cr5 s PHE 66 N 0.17 0.71 -0.07 5.22 0.40 -0.47 -4.89 117.98 119.05 1cr5 s PHE 66 Ca 0.06 -1.10 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 1cr5 s PHE 66 Cb -0.12 -0.45 -0.05 0.00 0.51 0.00 0.00 43.02 42.91 1cr5 s PHE 66 CO -0.00 -0.39 0.33 0.99 0.70 0.00 0.00 175.22 176.85 1cr5 s THR 67 N -3.91 5.21 0.49 0.64 2.01 -1.26 -1.06 115.64 117.76 1cr5 s THR 67 Ca 0.14 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 1cr5 s THR 67 Cb 0.07 -3.63 -0.07 0.00 0.01 0.00 0.00 72.50 68.89 1cr5 s THR 67 CO -0.05 0.53 0.90 0.42 -0.69 0.00 0.00 174.62 175.73 1cr5 s THR 68 N -0.59 4.67 -0.10 -0.82 -4.23 0.54 -1.24 115.64 113.88 1cr5 s THR 68 Ca 0.20 0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 61.57 1cr5 s THR 68 Cb -0.15 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 69.99 1cr5 s THR 68 CO 0.09 -0.70 0.21 -0.60 -0.54 0.00 0.00 174.62 173.07 1cr5 s ARG 69 N -4.18 0.11 0.53 3.99 3.52 -0.54 -1.26 118.95 121.11 1cr5 s ARG 69 Ca 0.55 0.60 -0.21 0.00 -0.13 0.00 0.00 55.73 56.53 1cr5 s ARG 69 Cb -0.10 -0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.08 1cr5 s ARG 69 CO 0.35 -0.26 1.26 -1.01 -0.81 0.00 0.00 175.30 174.83 1cr5 s HIS 70 N 2.04 2.49 -0.10 5.12 3.76 -1.26 -0.99 115.29 126.36 1cr5 s HIS 70 Ca -0.01 1.46 -0.06 0.00 -0.15 0.00 0.00 55.06 56.30 1cr5 s HIS 70 Cb -0.12 -3.60 0.04 0.00 1.11 0.00 0.00 32.58 30.02 1cr5 s HIS 70 CO -0.07 -2.31 0.24 0.45 -0.85 0.00 0.00 174.74 172.20 1cr5 s SER 71 N -1.22 -0.25 0.02 1.40 0.15 -0.44 -4.80 113.70 108.55 1cr5 s SER 71 Ca 0.70 0.50 0.26 0.00 0.70 0.00 0.00 55.95 58.11 1cr5 s SER 71 Cb -0.34 0.40 0.65 0.00 -1.71 0.00 0.00 66.02 65.02 1cr5 s SER 71 CO 0.40 -0.15 1.52 0.59 1.20 0.00 0.00 173.24 176.81 1cr5 n ASN 72 N 4.00 0.42 -1.75 5.45 3.02 -1.26 -3.78 115.26 121.36 1cr5 n ASN 72 Ca -0.23 -0.03 0.04 0.00 -0.03 0.00 0.00 54.58 54.33 1cr5 n ASN 72 Cb 0.54 0.06 0.35 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.58 5.16 -4.03 6.41 8.00 -1.26 -4.87 116.55 124.37 1cr5 n ASP 73 Ca 0.06 -3.04 -0.31 0.00 0.71 0.00 0.00 54.79 52.20 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 -2.86 1.76 0.06 0.53 2.07 -1.25 -5.10 121.20 116.42 1cr5 s ILE 74 Ca 0.53 -0.98 -0.37 0.00 -1.41 0.00 0.00 60.65 58.42 1cr5 s ILE 74 Cb 0.41 -1.75 -0.16 0.00 0.13 0.00 0.00 42.46 41.09 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 4.66 1.27 -1.68 3.50 -0.02 -1.26 -4.47 135.00 137.00 1cr5 n PRO 75 Ca -0.16 0.46 -0.45 0.00 -2.02 0.00 0.00 63.50 61.33 1cr5 n PRO 75 Cb 0.47 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.93 2.47 0.00 0.52 -0.02 -1.26 -1.25 135.00 138.39 1cr5 n PRO 76 Ca 0.19 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.57 1cr5 n PRO 76 Cb 0.20 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 4.03 0.75 3.46 -1.23 0.00 -1.26 -5.09 105.19 105.85 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 2.02 -0.03 2.61 -4.23 -0.38 -1.39 115.64 112.24 1cr5 s THR 78 Ca 0.00 -2.22 -0.01 0.00 -1.18 0.00 0.00 61.69 58.28 1cr5 s THR 78 Cb 0.00 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.44 1cr5 s THR 78 CO 0.00 -0.33 0.06 -0.51 -0.54 0.00 0.00 174.62 173.30 1cr5 s ILE 79 N -2.78 -0.07 -0.15 2.99 2.07 0.17 -4.39 121.20 119.05 1cr5 s ILE 79 Ca 0.30 0.24 -0.10 0.00 -1.41 0.00 0.00 60.65 59.68 1cr5 s ILE 79 Cb 0.01 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.44 1cr5 s ILE 79 CO 0.13 0.10 0.18 -0.83 -1.91 0.00 0.00 174.94 172.61 1cr5 s GLY 80 N 1.24 2.15 0.06 1.50 0.00 0.02 -1.23 107.32 111.05 1cr5 s GLY 80 Ca -0.07 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.07 1cr5 s GLY 80 CO -0.04 -0.03 -0.07 -1.36 0.00 0.00 0.00 173.10 171.61 1cr5 s PHE 81 N -0.30 0.68 0.86 1.90 2.99 -0.61 -1.65 117.98 121.84 1cr5 s PHE 81 Ca 0.13 -0.65 -0.12 0.00 0.00 0.00 0.00 56.93 56.29 1cr5 s PHE 81 Cb -0.12 -0.41 0.14 0.00 0.00 0.00 0.00 43.02 42.63 1cr5 s PHE 81 CO 0.02 -0.13 1.21 0.54 -0.00 0.00 0.00 175.22 176.86 1cr5 s ASN 82 N -2.05 3.83 0.26 1.36 2.20 -1.26 -1.39 114.94 117.89 1cr5 s ASN 82 Ca -0.04 0.35 -0.02 0.00 -0.94 0.00 0.00 52.86 52.21 1cr5 s ASN 82 Cb -0.05 -0.62 0.44 0.00 -2.00 0.00 0.00 41.25 39.02 1cr5 s ASN 82 CO -0.02 -2.28 1.84 1.23 -2.94 0.00 0.00 177.10 174.93 1cr5 h GLY 83 N -1.23 1.45 0.99 0.45 0.00 -1.97 -2.46 103.07 100.29 1cr5 h GLY 83 Ca -0.44 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 1cr5 h GLY 83 CO 0.48 0.19 -0.06 3.43 0.00 0.00 0.00 176.54 180.58 1cr5 h ASN 84 N 0.95 0.79 -0.49 0.19 4.21 -1.93 -1.16 115.58 118.14 1cr5 h ASN 84 Ca 0.43 -0.34 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1cr5 h ASN 84 Cb 0.34 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1cr5 h ASN 84 CO -0.23 0.95 0.14 1.56 -1.29 0.00 0.00 177.43 178.56 1cr5 h GLN 85 N 0.62 0.83 -0.41 0.81 4.20 -1.64 0.14 115.11 119.66 1cr5 h GLN 85 Ca 0.11 -0.16 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1cr5 h GLN 85 Cb 0.58 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1cr5 h GLN 85 CO 0.03 0.74 -0.30 0.00 -0.67 0.00 0.00 178.83 178.63 1cr5 h ARG 86 N 0.80 0.89 -0.73 1.46 3.08 -1.27 -1.44 114.38 117.17 1cr5 h ARG 86 Ca 0.18 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 1cr5 h ARG 86 Cb 0.28 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 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 0.75 1.24 -0.10 2.04 2.02 -0.65 0.21 112.91 118.42 1cr5 h THR 87 Ca 0.08 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 1cr5 h THR 87 Cb 0.86 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1cr5 h THR 87 CO 0.08 0.29 0.06 -0.25 0.37 0.00 0.00 175.52 176.07 1cr5 h TRP 88 N 1.02 0.14 0.00 3.16 7.01 -0.72 -2.54 115.95 124.02 1cr5 h TRP 88 Ca 0.25 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1cr5 h TRP 88 Cb 0.15 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1cr5 h TRP 88 CO 0.01 0.16 0.00 0.41 -2.79 0.00 0.00 178.44 176.23 1cr5 n GLY 89 N -0.92 -1.38 2.20 2.65 0.00 -0.57 -4.89 105.19 102.29 1cr5 n GLY 89 Ca -0.05 -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 1.14 -0.04 3.81 -0.02 0.00 0.58 -5.00 105.19 105.67 1cr5 n GLY 90 Ca 0.06 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.52 3.54 0.37 1.61 0.51 -0.25 -5.02 118.94 117.17 1cr5 s TRP 91 Ca 0.00 0.52 0.06 0.00 -2.12 0.00 0.00 56.10 54.56 1cr5 s TRP 91 Cb 0.00 -2.08 -0.00 0.00 -0.81 0.00 0.00 33.47 30.58 1cr5 s TRP 91 CO 0.00 0.54 0.52 -1.54 -0.51 0.00 0.00 176.95 175.96 1cr5 s SER 92 N -0.46 5.87 0.34 2.95 1.04 -1.26 -4.62 113.70 117.56 1cr5 s SER 92 Ca 0.14 -0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.08 1cr5 s SER 92 Cb -0.12 -1.11 -0.11 0.00 0.10 0.00 0.00 66.02 64.77 1cr5 s SER 92 CO 0.03 -0.55 1.52 0.18 0.98 0.00 0.00 173.24 175.40 1cr5 n LEU 93 N -1.74 4.50 0.00 2.42 4.77 -1.26 -1.76 117.00 123.93 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 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1cr5 n LEU 93 CO 0.42 0.10 0.00 0.59 -1.33 0.00 0.00 177.39 177.17 1cr5 n ASN 94 N 1.23 0.00 -4.69 -1.43 3.02 0.17 -4.95 115.26 108.60 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 0.38 -0.43 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 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 2.51 -2.15 3.52 7.27 -0.72 -4.39 117.38 121.42 1cr5 n GLN 95 Ca 0.00 0.91 -0.37 0.00 0.07 0.00 0.00 57.00 57.61 1cr5 n GLN 95 Cb 0.00 -2.73 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 0.34 0.07 0.00 0.00 177.06 177.47 1cr5 s ASP 96 N 1.44 5.86 0.04 1.69 -1.08 -1.26 -2.04 116.67 121.31 1cr5 s ASP 96 Ca 0.78 2.38 -0.09 0.00 -0.52 0.00 0.00 52.55 55.11 1cr5 s ASP 96 Cb -0.58 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.28 1cr5 s ASP 96 CO 0.36 -1.14 0.18 0.54 0.52 0.00 0.00 175.17 175.64 1cr5 s VAL 97 N -1.53 0.11 -0.19 1.11 0.11 0.11 -4.93 120.40 115.20 1cr5 s VAL 97 Ca 0.67 -0.90 -0.07 0.00 -2.93 0.00 0.00 61.98 58.76 1cr5 s VAL 97 Cb -0.30 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1cr5 s VAL 97 CO 0.36 -0.50 0.05 -1.10 -3.33 0.00 0.00 175.10 170.58 1cr5 s GLN 98 N -2.50 3.89 -0.02 1.54 -0.21 -1.26 -1.02 119.66 120.07 1cr5 s GLN 98 Ca -0.06 -0.39 0.04 0.00 0.02 0.00 0.00 55.36 54.98 1cr5 s GLN 98 Cb -0.01 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1cr5 s GLN 98 CO -0.04 0.21 -0.15 0.00 -2.12 0.00 0.00 175.29 173.19 1cr5 s ALA 99 N 0.53 1.31 0.02 6.09 0.00 0.52 0.04 121.76 130.27 1cr5 s ALA 99 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1cr5 s ALA 99 Cb -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1cr5 s ALA 99 CO 0.01 0.28 -0.03 0.15 0.00 0.00 0.00 175.76 176.17 1cr5 s LYS 100 N -0.14 0.32 0.45 0.00 1.02 -0.58 -0.44 119.74 120.37 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 -0.08 0.08 -0.08 0.00 -0.52 0.00 0.00 37.83 37.22 1cr5 s LYS 100 CO 0.00 -0.04 1.37 0.00 -0.92 0.00 0.00 175.35 175.77 1cr5 n ALA 101 N 1.64 1.77 -2.74 5.17 0.00 -1.26 0.10 120.51 125.18 1cr5 n ALA 101 Ca -0.23 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1cr5 n ALA 101 Cb 0.55 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 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 -1.21 2.58 -0.25 0.00 5.36 0.21 -4.66 117.98 120.01 1cr5 s PHE 102 Ca 0.62 -0.56 0.03 0.00 -0.96 0.00 0.00 56.93 56.06 1cr5 s PHE 102 Cb -0.46 -1.66 0.06 0.00 -0.34 0.00 0.00 43.02 40.62 1cr5 s PHE 102 CO 0.57 -0.11 -0.11 0.34 -1.46 0.00 0.00 175.22 174.44 1cr5 s ASP 103 N -0.20 4.35 0.13 6.13 -1.08 -1.26 -4.54 116.67 120.20 1cr5 s ASP 103 Ca -0.01 -1.35 -0.20 0.00 -0.52 0.00 0.00 52.55 50.47 1cr5 s ASP 103 Cb -0.13 -1.54 -0.02 0.00 -1.46 0.00 0.00 42.92 39.76 1cr5 s ASP 103 CO 0.03 -0.18 1.71 0.25 0.52 0.00 0.00 175.17 177.50 1cr5 h LEU 104 N 7.78 -0.15 0.08 -1.34 6.46 -1.98 0.17 115.31 126.33 1cr5 h LEU 104 Ca -0.21 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1cr5 h LEU 104 Cb 1.05 0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.04 1cr5 h LEU 104 CO 0.47 -0.05 -0.34 0.15 -0.62 0.00 0.00 178.44 178.06 1cr5 h PHE 105 N 0.03 -0.93 -0.48 1.25 3.57 -1.95 0.04 116.94 118.47 1cr5 h PHE 105 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1cr5 h PHE 105 Cb 0.14 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1cr5 h PHE 105 CO -0.21 -0.44 0.32 -0.22 -2.23 0.00 0.00 178.31 175.53 1cr5 h LYS 106 N -0.54 0.62 0.30 1.11 1.63 -1.82 0.12 116.57 117.99 1cr5 h LYS 106 Ca 0.04 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1cr5 h LYS 106 Cb 0.59 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1cr5 h LYS 106 CO -0.22 0.41 -0.14 -0.92 -3.45 0.00 0.00 179.45 175.12 1cr5 h TYR 107 N 0.64 -0.38 0.00 1.91 3.20 0.18 -3.38 116.97 119.14 1cr5 h TYR 107 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1cr5 h TYR 107 Cb -0.07 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1cr5 h TYR 107 CO -0.00 -0.02 -1.64 -1.13 -1.64 0.00 0.00 178.16 173.73 1cr5 n SER 108 N -5.09 0.30 0.00 -2.11 3.41 -0.08 -4.98 113.62 105.07 1cr5 n SER 108 Ca -0.09 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1cr5 n SER 108 Cb 0.27 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.73 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 1.27 1.92 3.60 5.00 0.00 0.42 -5.06 105.19 112.35 1cr5 n GLY 109 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1cr5 n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cr5 s LYS 110 N -0.36 1.18 -0.54 1.61 1.02 -1.18 -4.94 119.74 116.53 1cr5 s LYS 110 Ca 0.00 -0.54 -0.28 0.00 0.02 0.00 0.00 55.97 55.17 1cr5 s LYS 110 Cb 0.00 0.47 0.01 0.00 -0.52 0.00 0.00 37.83 37.79 1cr5 s LYS 110 CO 0.00 -0.53 1.52 -0.65 -0.92 0.00 0.00 175.35 174.77 1cr5 s GLN 111 N -3.44 3.21 -0.22 1.68 -1.52 -1.26 -4.03 119.66 114.08 1cr5 s GLN 111 Ca 0.07 0.58 -0.09 0.00 -1.95 0.00 0.00 55.36 53.97 1cr5 s GLN 111 Cb -0.02 -4.17 -0.04 0.00 -0.22 0.00 0.00 33.01 28.56 1cr5 s GLN 111 CO -0.05 -2.04 0.11 -1.12 -0.25 0.00 0.00 175.29 171.94 1cr5 s SER 112 N 5.11 5.80 0.13 5.90 0.01 -1.26 -1.34 113.70 128.05 1cr5 s SER 112 Ca 0.57 0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.95 1cr5 s SER 112 Cb -0.12 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.04 1cr5 s SER 112 CO 0.25 0.10 0.02 -0.31 0.41 0.00 0.00 173.24 173.71 1cr5 s TYR 113 N 0.83 2.96 -0.25 2.43 1.51 -0.03 -1.61 117.35 123.20 1cr5 s TYR 113 Ca 0.06 -0.07 -0.28 0.00 -1.01 0.00 0.00 57.07 55.78 1cr5 s TYR 113 Cb -0.13 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1cr5 s TYR 113 CO 0.02 0.50 0.98 -0.51 -1.11 0.00 0.00 175.55 175.43 1cr5 s LEU 114 N -2.64 4.08 0.06 -1.29 1.43 -0.04 0.68 118.68 120.95 1cr5 s LEU 114 Ca 0.27 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1cr5 s LEU 114 Cb -0.11 -3.42 -0.26 0.00 0.03 0.00 0.00 46.19 42.43 1cr5 s LEU 114 CO 0.19 -0.65 1.06 1.23 0.23 0.00 0.00 176.35 178.42 1cr5 h GLY 115 N 9.44 0.19 -2.71 -3.19 0.00 0.15 -3.37 103.07 103.58 1cr5 h GLY 115 Ca -0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1cr5 h GLY 115 CO 0.95 0.43 0.04 -1.35 0.00 0.00 0.00 176.54 176.61 1cr5 s SER 116 N -6.90 -0.29 -0.22 0.19 1.04 -1.04 -0.74 113.70 105.75 1cr5 s SER 116 Ca -0.04 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 1cr5 s SER 116 Cb 0.08 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.84 1cr5 s SER 116 CO 0.85 -1.02 0.52 -0.51 0.98 0.00 0.00 173.24 174.06 1cr5 s ILE 117 N -3.85 -0.12 -0.19 -1.02 2.07 0.71 -1.89 121.20 116.91 1cr5 s ILE 117 Ca 0.08 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1cr5 s ILE 117 Cb -0.01 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 1cr5 s ILE 117 CO -0.05 0.03 0.06 -1.81 -1.91 0.00 0.00 174.94 171.26 1cr5 s ASP 118 N 1.66 5.58 -0.06 4.50 -0.00 -0.56 -0.26 116.67 127.54 1cr5 s ASP 118 Ca -0.09 0.05 0.04 0.00 -0.00 0.00 0.00 52.55 52.55 1cr5 s ASP 118 Cb -0.08 -1.96 0.00 0.00 -0.00 0.00 0.00 42.92 40.88 1cr5 s ASP 118 CO -0.16 0.15 -0.18 -0.63 -0.00 0.00 0.00 175.17 174.35 1cr5 s ILE 119 N 0.52 1.55 -0.32 0.77 1.01 0.31 -0.25 121.20 124.78 1cr5 s ILE 119 Ca 0.03 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 1cr5 s ILE 119 Cb -0.13 -1.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 1cr5 s ILE 119 CO 0.01 0.44 0.69 -1.81 0.00 0.00 0.00 174.94 174.28 1cr5 s ASP 120 N 0.25 6.53 -0.04 3.58 1.01 -0.12 0.21 116.67 128.09 1cr5 s ASP 120 Ca -0.10 0.42 0.06 0.00 0.71 0.00 0.00 52.55 53.64 1cr5 s ASP 120 Cb -0.14 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 1cr5 s ASP 120 CO 0.04 -0.58 -0.21 -0.51 0.21 0.00 0.00 175.17 174.12 1cr5 s ILE 121 N 2.79 2.44 0.05 0.77 2.07 -0.38 -1.37 121.20 127.57 1cr5 s ILE 121 Ca 0.28 -0.96 -0.15 0.00 -1.41 0.00 0.00 60.65 58.41 1cr5 s ILE 121 Cb -0.14 -1.89 0.02 0.00 0.13 0.00 0.00 42.46 40.58 1cr5 s ILE 121 CO 0.13 0.58 0.33 -0.94 -1.91 0.00 0.00 174.94 173.14 1cr5 s SER 122 N -0.59 -0.16 0.21 4.50 1.04 -0.94 -4.57 113.70 113.19 1cr5 s SER 122 Ca 0.09 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 1cr5 s SER 122 Cb -0.11 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.31 1cr5 s SER 122 CO 0.00 -0.65 1.32 -0.36 0.98 0.00 0.00 173.24 174.53 1cr5 s PHE 123 N -2.67 3.23 -2.36 5.02 0.40 -1.26 -0.64 117.98 119.69 1cr5 s PHE 123 Ca -0.04 1.22 0.29 0.00 -0.60 0.00 0.00 56.93 57.80 1cr5 s PHE 123 Cb -0.00 -3.62 1.29 0.00 0.51 0.00 0.00 43.02 41.19 1cr5 s PHE 123 CO -0.04 -1.94 1.88 -2.13 0.70 0.00 0.00 175.22 173.69 1cr5 n ARG 124 N 2.48 1.48 0.00 0.44 0.63 -0.89 -4.77 116.66 116.02 1cr5 n ARG 124 Ca 0.06 -0.69 0.00 0.00 -0.92 0.00 0.00 57.85 56.30 1cr5 n ARG 124 Cb 0.42 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.85 1cr5 n ARG 124 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1cr5 n VAL 133 N -0.16 0.00 -3.29 5.15 0.24 -1.26 -4.97 118.33 114.05 1cr5 n VAL 133 Ca 0.20 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.26 1cr5 n VAL 133 Cb 0.29 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.57 1cr5 n VAL 133 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1cr5 n PHE 134 N 0.00 -1.20 -2.70 6.34 7.35 -1.26 -5.07 117.46 120.93 1cr5 n PHE 134 Ca 0.00 -3.12 -0.42 0.00 -0.76 0.00 0.00 57.45 53.15 1cr5 n PHE 134 Cb 0.00 0.33 -0.03 0.00 0.35 0.00 0.00 39.48 40.13 1cr5 n PHE 134 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1cr5 s ASP 135 N -0.07 6.57 0.19 -2.13 -1.08 -1.26 -4.84 116.67 114.05 1cr5 s ASP 135 Ca 0.33 -1.72 -0.12 0.00 -0.52 0.00 0.00 52.55 50.52 1cr5 s ASP 135 Cb 0.06 -2.51 0.20 0.00 -1.46 0.00 0.00 42.92 39.22 1cr5 s ASP 135 CO -0.17 -1.33 1.73 -0.61 0.52 0.00 0.00 175.17 175.30 1cr5 h GLN 136 N 9.35 0.28 -0.94 4.34 5.75 -1.97 -1.25 115.11 130.66 1cr5 h GLN 136 Ca 0.19 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1cr5 h GLN 136 Cb 1.01 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.45 1cr5 h GLN 136 CO 1.31 0.18 0.58 -0.44 -2.65 0.00 0.00 178.83 177.82 1cr5 h ASP 137 N 0.29 1.11 -0.07 -0.69 3.45 -1.96 -0.58 116.42 117.96 1cr5 h ASP 137 Ca 0.26 -0.05 -0.22 0.00 0.43 0.00 0.00 57.03 57.45 1cr5 h ASP 137 Cb 0.33 -0.28 0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1cr5 h ASP 137 CO -0.31 0.83 -0.78 -0.33 -1.57 0.00 0.00 179.24 177.08 1cr5 h GLU 138 N 1.28 0.73 -0.76 3.56 4.39 -1.87 -2.10 114.58 119.82 1cr5 h GLU 138 Ca 0.34 -0.60 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 1cr5 h GLU 138 Cb -0.09 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1cr5 h GLU 138 CO -0.07 1.21 0.27 -0.07 -1.16 0.00 0.00 179.01 179.20 1cr5 h LEU 139 N 0.49 1.07 -0.50 1.33 3.38 -1.02 -1.77 115.31 118.29 1cr5 h LEU 139 Ca -0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1cr5 h LEU 139 Cb 1.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1cr5 h LEU 139 CO 0.16 0.97 0.18 0.00 0.09 0.00 0.00 178.44 179.83 1cr5 h ALA 140 N 1.18 0.65 0.03 1.53 0.00 -1.04 -1.25 119.26 120.35 1cr5 h ALA 140 Ca 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cr5 h ALA 140 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1cr5 h ALA 140 CO -0.01 0.28 -0.05 0.87 0.00 0.00 0.00 179.25 180.33 1cr5 h LYS 141 N 0.67 -0.10 -0.92 0.00 1.57 -1.06 -1.60 116.57 115.13 1cr5 h LYS 141 Ca 0.16 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1cr5 h LYS 141 Cb 0.23 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1cr5 h LYS 141 CO -0.01 -0.07 0.60 0.37 -0.57 0.00 0.00 179.45 179.77 1cr5 h GLN 142 N -0.11 1.01 -0.20 3.15 5.75 -1.20 0.24 115.11 123.75 1cr5 h GLN 142 Ca 0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1cr5 h GLN 142 Cb 0.12 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1cr5 h GLN 142 CO -0.03 0.67 0.08 0.35 -2.65 0.00 0.00 178.83 177.25 1cr5 h PHE 143 N 1.04 0.31 -0.41 3.99 3.57 -0.79 0.09 116.94 124.74 1cr5 h PHE 143 Ca 0.39 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.77 1cr5 h PHE 143 Cb 0.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1cr5 h PHE 143 CO -0.00 0.36 -0.15 0.28 -2.23 0.00 0.00 178.31 176.57 1cr5 h VAL 144 N 0.17 1.26 -0.46 1.41 2.07 -0.69 -0.13 116.25 119.88 1cr5 h VAL 144 Ca 0.07 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1cr5 h VAL 144 Cb 0.19 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1cr5 h VAL 144 CO -0.00 0.41 0.18 -0.09 0.02 0.00 0.00 177.57 178.09 1cr5 h ARG 145 N 0.69 0.70 0.11 1.57 2.43 -0.22 -1.51 114.38 118.16 1cr5 h ARG 145 Ca 0.11 -0.13 -0.27 0.00 -0.81 0.00 0.00 59.98 58.88 1cr5 h ARG 145 Cb 0.64 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1cr5 h ARG 145 CO 0.04 0.63 -1.28 0.00 -1.51 0.00 0.00 179.97 177.86 1cr5 n TYR 147 N -3.50 0.13 -1.63 0.00 4.02 -0.07 -4.97 117.16 111.15 1cr5 n TYR 147 Ca -0.09 -0.66 -0.44 0.00 -0.01 0.00 0.00 57.90 56.69 1cr5 n TYR 147 Cb 1.02 -0.09 -0.01 0.00 -0.02 0.00 0.00 39.34 40.23 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 -0.62 1.67 -0.79 -0.72 2.13 -0.57 -1.04 120.64 120.70 1cr5 n GLU 148 Ca 0.08 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1cr5 n GLU 148 Cb 0.43 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 1.18 0.00 -4.87 4.31 7.64 0.78 -4.98 113.62 117.68 1cr5 n SER 149 Ca 0.08 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.66 1cr5 n SER 149 Cb 0.33 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.08 3.81 -0.03 1.43 -0.21 -0.21 -4.71 119.66 119.66 1cr5 s GLN 150 Ca 0.00 0.55 -0.13 0.00 0.02 0.00 0.00 55.36 55.80 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 -0.07 0.36 0.42 -2.12 0.00 0.00 175.29 173.88 1cr5 s ILE 151 N -2.41 5.13 0.11 1.08 1.01 -1.26 -0.64 121.20 124.23 1cr5 s ILE 151 Ca 0.53 0.72 0.04 0.00 0.00 0.00 0.00 60.65 61.94 1cr5 s ILE 151 Cb -0.10 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1cr5 s ILE 151 CO 0.31 0.57 -0.11 -0.36 0.00 0.00 0.00 174.94 175.35 1cr5 s PHE 152 N -0.93 1.19 0.03 3.97 0.40 -0.16 -4.87 117.98 117.60 1cr5 s PHE 152 Ca 0.22 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 1cr5 s PHE 152 Cb -0.16 -0.63 0.01 0.00 0.51 0.00 0.00 43.02 42.76 1cr5 s PHE 152 CO 0.11 0.05 0.26 -1.54 0.70 0.00 0.00 175.22 174.81 1cr5 s SER 153 N -2.61 -0.09 0.58 1.36 1.04 -1.26 -1.80 113.70 110.91 1cr5 s SER 153 Ca 0.09 -0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 1cr5 s SER 153 Cb -0.02 0.32 -0.07 0.00 0.10 0.00 0.00 66.02 66.35 1cr5 s SER 153 CO 0.01 -0.54 0.75 -2.65 0.98 0.00 0.00 173.24 171.78 1cr5 n PRO 154 N 0.83 0.71 0.00 4.02 -0.02 -1.26 -1.76 135.00 137.53 1cr5 n PRO 154 Ca -0.20 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1cr5 n PRO 154 Cb 0.58 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.67 0.00 -1.70 3.45 -2.24 0.13 -4.00 114.28 108.26 1cr5 n THR 155 Ca 0.13 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.47 1cr5 n THR 155 Cb 0.47 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.00 2.30 -4.57 -0.78 7.27 -0.72 -4.61 117.38 114.27 1cr5 n GLN 156 Ca 0.00 0.82 -0.33 0.00 0.07 0.00 0.00 57.00 57.56 1cr5 n GLN 156 Cb 0.00 -2.54 -0.15 0.00 2.41 0.00 0.00 30.24 29.96 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 2.81 0.19 3.69 6.04 -1.26 -0.07 117.35 128.88 1cr5 s TYR 157 Ca 0.68 -0.87 -0.07 0.00 0.04 0.00 0.00 57.07 56.85 1cr5 s TYR 157 Cb -0.59 -1.89 -0.02 0.00 -1.04 0.00 0.00 41.96 38.41 1cr5 s TYR 157 CO 0.47 -0.38 0.26 -0.48 -1.54 0.00 0.00 175.55 173.88 1cr5 s LEU 158 N 0.69 0.96 -0.12 6.97 2.34 0.64 -3.97 118.68 126.20 1cr5 s LEU 158 Ca -0.06 -1.07 -0.00 0.00 0.06 0.00 0.00 54.13 53.05 1cr5 s LEU 158 Cb -0.15 1.00 -0.02 0.00 -0.56 0.00 0.00 46.19 46.45 1cr5 s LEU 158 CO 0.02 -0.92 -0.10 -0.63 -1.06 0.00 0.00 176.35 173.66 1cr5 s ILE 159 N -4.04 3.36 -0.03 1.48 1.01 -1.26 -0.14 121.20 121.59 1cr5 s ILE 159 Ca 0.25 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1cr5 s ILE 159 Cb 0.04 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1cr5 s ILE 159 CO 0.06 0.54 -0.09 -0.32 0.00 0.00 0.00 174.94 175.12 1cr5 s MET 160 N 0.05 0.96 -0.04 2.79 -2.45 -0.54 -4.63 119.30 115.45 1cr5 s MET 160 Ca -0.03 -0.31 -0.15 0.00 -1.25 0.00 0.00 55.69 53.95 1cr5 s MET 160 Cb -0.14 -0.90 -0.05 0.00 1.25 0.00 0.00 34.83 34.99 1cr5 s MET 160 CO 0.04 0.12 0.41 -2.00 1.05 0.00 0.00 175.02 174.63 1cr5 s GLU 161 N 0.18 4.02 -0.18 4.11 2.12 -1.26 -0.24 118.70 127.45 1cr5 s GLU 161 Ca -0.03 0.38 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 1cr5 s GLU 161 Cb -0.08 -3.28 0.09 0.00 0.26 0.00 0.00 34.13 31.11 1cr5 s GLU 161 CO 0.00 0.55 0.22 0.12 -0.54 0.00 0.00 175.26 175.62 1cr5 s PHE 162 N -0.61 -0.29 -1.20 5.30 5.36 0.15 -4.94 117.98 121.75 1cr5 s PHE 162 Ca 0.23 0.35 -0.20 0.00 -0.96 0.00 0.00 56.93 56.35 1cr5 s PHE 162 Cb -0.16 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 1cr5 s PHE 162 CO 0.12 -0.54 0.71 1.04 -1.46 0.00 0.00 175.22 175.08 1cr5 n GLN 163 N 5.32 -1.42 -0.54 10.12 6.02 -1.26 -1.74 117.38 133.88 1cr5 n GLN 163 Ca -0.05 0.39 0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1cr5 n GLN 163 Cb 0.50 -3.94 0.00 0.00 1.02 0.00 0.00 30.24 27.81 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 -1.80 1.65 3.47 1.08 0.00 -1.26 -5.00 105.19 103.32 1cr5 n GLY 164 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.27 2.55 -0.09 1.61 3.76 -0.71 -5.12 115.29 114.02 1cr5 s HIS 165 Ca 0.00 -0.26 -0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1cr5 s HIS 165 Cb 0.00 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.24 1cr5 s HIS 165 CO 0.00 0.31 0.14 -0.06 -0.85 0.00 0.00 174.74 174.28 1cr5 s PHE 166 N -1.01 3.56 0.07 1.40 2.99 -1.26 0.31 117.98 124.03 1cr5 s PHE 166 Ca 0.16 0.46 0.04 0.00 0.00 0.00 0.00 56.93 57.59 1cr5 s PHE 166 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 43.02 40.99 1cr5 s PHE 166 CO 0.07 0.70 -0.10 -0.06 -0.00 0.00 0.00 175.22 175.83 1cr5 s PHE 167 N -1.11 0.96 -0.22 0.36 0.40 0.67 -2.10 117.98 116.94 1cr5 s PHE 167 Ca 0.18 -0.55 -0.11 0.00 -0.60 0.00 0.00 56.93 55.85 1cr5 s PHE 167 Cb -0.12 -0.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 1cr5 s PHE 167 CO 0.08 -0.02 0.19 -0.51 0.70 0.00 0.00 175.22 175.66 1cr5 s ASP 168 N -1.96 6.20 -0.11 1.36 1.01 0.19 -1.46 116.67 121.89 1cr5 s ASP 168 Ca -0.02 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.47 1cr5 s ASP 168 Cb -0.07 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1cr5 s ASP 168 CO 0.01 0.08 -0.16 -0.76 0.21 0.00 0.00 175.17 174.54 1cr5 s LEU 169 N 0.89 2.56 -0.18 1.23 1.43 0.80 -2.21 118.68 123.21 1cr5 s LEU 169 Ca 0.10 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1cr5 s LEU 169 Cb -0.13 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.56 1cr5 s LEU 169 CO 0.03 0.18 -0.17 -0.75 0.23 0.00 0.00 176.35 175.88 1cr5 s LYS 170 N 0.23 2.62 -0.32 1.70 2.47 -0.47 -0.26 119.74 125.70 1cr5 s LYS 170 Ca -0.10 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.25 1cr5 s LYS 170 Cb -0.16 -2.41 -0.01 0.00 -1.46 0.00 0.00 37.83 33.79 1cr5 s LYS 170 CO 0.06 -0.26 1.53 0.42 0.16 0.00 0.00 175.35 177.26 1cr5 s ILE 171 N 1.36 3.79 -0.06 5.43 -1.09 0.90 -0.94 121.20 130.58 1cr5 s ILE 171 Ca 0.04 0.85 -0.17 0.00 -2.23 0.00 0.00 60.65 59.14 1cr5 s ILE 171 Cb -0.14 -3.94 -0.12 0.00 -1.58 0.00 0.00 42.46 36.69 1cr5 s ILE 171 CO -0.11 -0.51 0.65 -0.09 -1.23 0.00 0.00 174.94 173.65 1cr5 h ARG 172 N 10.94 -0.23 -3.79 2.79 2.43 -0.95 0.36 114.38 125.92 1cr5 h ARG 172 Ca -0.30 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.79 1cr5 h ARG 172 Cb 1.13 0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 1cr5 h ARG 172 CO 1.04 0.11 -0.25 0.54 -1.51 0.00 0.00 179.97 179.91 1cr5 s ASN 173 N -5.42 -0.02 0.10 -3.80 4.22 -1.21 -4.43 114.94 104.37 1cr5 s ASN 173 Ca -0.10 -0.85 0.02 0.00 -2.14 0.00 0.00 52.86 49.79 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 -0.96 -0.07 -0.69 -2.04 0.00 0.00 177.10 173.69 1cr5 s VAL 174 N -3.97 0.74 -0.25 3.54 1.01 -0.26 -1.49 120.40 119.71 1cr5 s VAL 174 Ca 0.18 -1.83 -0.03 0.00 0.00 0.00 0.00 61.98 60.30 1cr5 s VAL 174 Cb 0.02 -1.56 0.08 0.00 0.00 0.00 0.00 36.38 34.92 1cr5 s VAL 174 CO 0.02 -0.79 0.09 -1.58 0.00 0.00 0.00 175.10 172.84 1cr5 s GLN 175 N -3.51 0.48 0.54 2.72 2.00 -0.79 0.57 119.66 121.67 1cr5 s GLN 175 Ca 0.09 -0.62 -0.13 0.00 -2.00 0.00 0.00 55.36 52.71 1cr5 s GLN 175 Cb 0.03 -1.78 -0.06 0.00 0.80 0.00 0.00 33.01 32.00 1cr5 s GLN 175 CO -0.03 -0.86 0.97 0.00 -0.50 0.00 0.00 175.29 174.87 1cr5 s ALA 176 N 1.88 3.12 -0.10 1.58 0.00 -1.26 0.17 121.76 127.15 1cr5 s ALA 176 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1cr5 s ALA 176 Cb -0.17 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.96 1cr5 s ALA 176 CO -0.21 -0.40 0.22 0.42 0.00 0.00 0.00 175.76 175.79 1cr5 s ILE 177 N -2.82 -0.17 0.47 0.00 1.01 0.21 -4.22 121.20 115.69 1cr5 s ILE 177 Ca 0.56 0.21 -0.24 0.00 0.00 0.00 0.00 60.65 61.18 1cr5 s ILE 177 Cb -0.10 -0.36 -0.08 0.00 0.01 0.00 0.00 42.46 41.93 1cr5 s ILE 177 CO 0.41 0.09 1.40 0.47 0.00 0.00 0.00 174.94 177.31 1cr5 n ASP 178 N 4.65 3.11 -0.05 3.58 9.92 -1.26 -0.85 116.55 135.65 1cr5 n ASP 178 Ca -0.18 1.08 -0.01 0.00 -0.53 0.00 0.00 54.79 55.15 1cr5 n ASP 178 Cb 0.51 -1.59 -0.01 0.00 -0.64 0.00 0.00 41.12 39.39 1cr5 n ASP 178 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1cr5 n LEU 179 N -0.36 -0.14 -0.25 0.64 7.94 -0.45 -1.21 117.00 123.16 1cr5 n LEU 179 Ca 0.07 0.51 0.15 0.00 -1.11 0.00 0.00 56.01 55.62 1cr5 n LEU 179 Cb 0.42 -0.17 0.71 0.00 0.53 0.00 0.00 43.42 44.91 1cr5 n LEU 179 CO 0.58 -0.33 0.97 0.61 -1.11 0.00 0.00 177.39 178.11 1cr5 n GLY 180 N -1.03 -0.49 3.78 -3.96 0.00 -1.26 -4.93 105.19 97.30 1cr5 n GLY 180 Ca 0.00 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.04 5.98 0.00 1.61 1.01 -0.35 -4.94 116.67 117.95 1cr5 s ASP 181 Ca 0.41 2.17 0.25 0.00 0.71 0.00 0.00 52.55 56.10 1cr5 s ASP 181 Cb 0.21 -2.58 0.59 0.00 1.01 0.00 0.00 42.92 42.15 1cr5 s ASP 181 CO 0.36 -1.04 1.47 2.30 0.21 0.00 0.00 175.17 178.47 1cr5 n ILE 182 N -0.97 0.00 -3.44 0.77 -5.35 -1.26 -4.88 119.36 104.23 1cr5 n ILE 182 Ca 0.10 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 1cr5 n ILE 182 Cb 0.50 0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.91 1.26 0.69 6.28 -1.05 -1.26 -5.16 118.70 116.54 1cr5 s GLU 183 Ca 0.14 -0.49 -0.16 0.00 -0.15 0.00 0.00 54.97 54.30 1cr5 s GLU 183 Cb 0.18 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.46 1cr5 s GLU 183 CO 0.66 -0.54 1.20 -1.25 0.95 0.00 0.00 175.26 176.27 1cr5 s PRO 184 N -3.75 2.44 0.00 -4.83 0.04 -1.26 -4.78 135.00 122.86 1cr5 s PRO 184 Ca 0.01 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1cr5 s PRO 184 Cb -0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1cr5 s PRO 184 CO -0.13 -1.60 0.28 2.41 0.04 0.00 0.00 177.00 178.00 1cr5 n THR 185 N -2.39 0.00 -4.36 1.26 -1.04 -1.26 -5.04 114.28 101.45 1cr5 n THR 185 Ca 0.13 -0.45 -0.19 0.00 -2.04 0.00 0.00 64.05 61.51 1cr5 n THR 185 Cb 0.50 1.07 -0.10 0.00 -1.82 0.00 0.00 70.33 69.98 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 -0.33 2.63 0.83 8.00 1.04 -1.26 -5.15 113.70 119.46 1cr5 s SER 186 Ca 0.00 -1.03 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 1cr5 s SER 186 Cb 0.00 -0.15 0.09 0.00 0.10 0.00 0.00 66.02 66.06 1cr5 s SER 186 CO 0.00 -0.17 1.10 0.00 0.98 0.00 0.00 173.24 175.15 1cr5 s ALA 187 N -2.95 2.08 0.27 5.32 0.00 -1.26 -4.79 121.76 120.43 1cr5 s ALA 187 Ca 0.23 -0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 1cr5 s ALA 187 Cb -0.01 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 1cr5 s ALA 187 CO 0.07 -1.90 1.50 0.28 0.00 0.00 0.00 175.76 175.72 1cr5 n VAL 188 N -3.54 1.00 -4.42 0.00 0.31 -1.26 -4.75 118.33 105.66 1cr5 n VAL 188 Ca 0.07 -0.25 -0.33 0.00 -0.01 0.00 0.00 64.34 63.82 1cr5 n VAL 188 Cb 0.56 -1.72 -0.10 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.05 3.10 -0.14 3.52 0.00 0.19 -4.95 121.76 123.44 1cr5 s ALA 189 Ca 0.66 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1cr5 s ALA 189 Cb -0.57 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1cr5 s ALA 189 CO 0.49 0.62 0.27 0.25 0.00 0.00 0.00 175.76 177.39 1cr5 n THR 190 N 1.62 0.00 -3.65 0.00 -2.24 -1.26 -1.10 114.28 107.65 1cr5 n THR 190 Ca -0.16 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 60.81 1cr5 n THR 190 Cb 0.53 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.74 2.28 0.42 3.38 0.00 -1.26 -4.62 107.32 106.78 1cr5 s GLY 191 Ca 0.01 -0.49 0.29 0.00 0.00 0.00 0.00 44.72 44.53 1cr5 s GLY 191 CO 0.05 -0.32 1.87 1.19 0.00 0.00 0.00 173.10 175.89 1cr5 h ILE 192 N 2.62 0.00 -0.05 0.90 2.10 -1.93 -2.42 117.51 118.73 1cr5 h ILE 192 Ca -0.48 -0.02 -0.09 0.00 1.08 0.00 0.00 64.86 65.35 1cr5 h ILE 192 Cb 1.18 0.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 1cr5 h ILE 192 CO 0.68 0.00 -0.40 -0.33 -1.08 0.00 0.00 178.15 177.03 1cr5 h GLU 193 N 0.00 0.11 -6.12 2.19 3.07 -1.93 -3.41 114.58 108.48 1cr5 h GLU 193 Ca 0.00 -0.05 -0.58 0.00 -0.50 0.00 0.00 59.36 58.23 1cr5 h GLU 193 Cb 0.02 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.86 1cr5 h GLU 193 CO 0.00 0.49 0.70 0.99 -1.40 0.00 0.00 179.01 179.79 1cr5 s THR 194 N -4.15 4.61 0.02 1.13 2.01 -0.91 -5.02 115.64 113.33 1cr5 s THR 194 Ca -0.03 1.59 0.08 0.00 0.31 0.00 0.00 61.69 63.64 1cr5 s THR 194 Cb 0.14 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1cr5 s THR 194 CO 0.75 -0.39 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.51 1cr5 s LYS 195 N 3.40 1.75 0.04 4.92 1.02 -1.26 -4.10 119.74 125.52 1cr5 s LYS 195 Ca 0.41 -0.95 -0.12 0.00 0.02 0.00 0.00 55.97 55.33 1cr5 s LYS 195 Cb -0.13 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1cr5 s LYS 195 CO 0.14 0.48 0.27 0.20 -0.92 0.00 0.00 175.35 175.52 1cr5 s GLY 196 N -0.91 -0.08 -0.06 -3.33 0.00 -0.75 -4.80 107.32 97.39 1cr5 s GLY 196 Ca 0.10 -0.08 -0.24 0.00 0.00 0.00 0.00 44.72 44.50 1cr5 s GLY 196 CO 0.01 -0.28 0.74 -0.42 0.00 0.00 0.00 173.10 173.15 1cr5 s ILE 197 N -2.55 5.02 -0.05 0.90 1.01 -0.63 -0.99 121.20 123.90 1cr5 s ILE 197 Ca -0.05 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 1cr5 s ILE 197 Cb -0.01 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1cr5 s ILE 197 CO -0.03 0.24 1.14 -0.22 0.00 0.00 0.00 174.94 176.06 1cr5 s LEU 198 N 0.84 4.28 0.43 2.97 2.96 0.19 -0.86 118.68 129.49 1cr5 s LEU 198 Ca 0.40 1.76 0.05 0.00 -0.22 0.00 0.00 54.13 56.11 1cr5 s LEU 198 Cb -0.18 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1cr5 s LEU 198 CO 0.19 -0.52 0.02 0.42 -1.32 0.00 0.00 176.35 175.14 1cr5 s THR 199 N 2.00 1.63 -0.69 3.68 -4.23 -1.26 -0.16 115.64 116.61 1cr5 s THR 199 Ca 0.54 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1cr5 s THR 199 Cb -0.23 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.07 1cr5 s THR 199 CO 0.22 0.00 1.57 0.29 -0.54 0.00 0.00 174.62 176.16 1cr5 n LYS 200 N -1.03 0.10 -0.17 3.99 5.02 -1.26 -2.02 118.16 122.79 1cr5 n LYS 200 Ca -0.09 0.38 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1cr5 n LYS 200 Cb 0.67 -1.71 0.20 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 -1.91 2.47 -2.38 1.97 3.00 -1.26 -4.94 117.38 114.32 1cr5 n GLN 201 Ca 0.02 -2.25 -0.42 0.00 -0.01 0.00 0.00 57.00 54.35 1cr5 n GLN 201 Cb 0.18 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.89 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 -1.49 3.94 -0.10 5.09 2.01 -0.86 -4.90 115.64 119.32 1cr5 s THR 202 Ca 0.37 1.38 -0.29 0.00 0.31 0.00 0.00 61.69 63.45 1cr5 s THR 202 Cb 0.22 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1cr5 s THR 202 CO 0.31 0.09 1.00 -1.58 -0.69 0.00 0.00 174.62 173.75 1cr5 s GLN 203 N 1.26 4.43 -0.18 4.92 0.74 0.08 -4.91 119.66 126.00 1cr5 s GLN 203 Ca 0.60 1.38 -0.04 0.00 0.05 0.00 0.00 55.36 57.35 1cr5 s GLN 203 Cb -0.30 -3.54 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1cr5 s GLN 203 CO 0.28 -0.30 -0.03 0.42 -0.55 0.00 0.00 175.29 175.11 1cr5 s ILE 204 N 1.96 3.77 -0.17 -2.34 1.01 -1.26 -0.20 121.20 123.97 1cr5 s ILE 204 Ca 0.48 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1cr5 s ILE 204 Cb -0.18 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1cr5 s ILE 204 CO 0.18 0.46 -0.19 0.20 0.00 0.00 0.00 174.94 175.59 1cr5 s ASN 205 N 0.78 3.27 -0.13 3.58 0.01 0.64 -4.93 114.94 118.16 1cr5 s ASN 205 Ca -0.01 -0.60 -0.05 0.00 -0.71 0.00 0.00 52.86 51.49 1cr5 s ASN 205 Cb -0.14 -1.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 1cr5 s ASN 205 CO 0.02 0.03 0.06 -0.36 -1.51 0.00 0.00 177.10 175.35 1cr5 s PHE 206 N 1.09 3.33 0.17 2.20 0.40 -1.26 0.12 117.98 124.03 1cr5 s PHE 206 Ca -0.00 0.26 0.08 0.00 -0.60 0.00 0.00 56.93 56.67 1cr5 s PHE 206 Cb -0.14 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1cr5 s PHE 206 CO -0.07 0.46 -0.16 -0.06 0.70 0.00 0.00 175.22 176.08 1cr5 s PHE 207 N -0.54 1.71 0.00 0.36 0.40 0.13 -4.91 117.98 115.12 1cr5 s PHE 207 Ca 0.11 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1cr5 s PHE 207 Cb -0.12 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1cr5 s PHE 207 CO 0.02 0.31 0.00 1.17 0.70 0.00 0.00 175.22 177.42