#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cr7 s GLU 2 N 0.00 4.01 -0.11 0.00 2.12 -0.11 -4.88 118.70 119.74 1cr7 s GLU 2 Ca 0.00 0.35 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1cr7 s GLU 2 Cb 0.00 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 1cr7 s GLU 2 CO 0.00 -0.44 -0.19 0.99 -0.54 0.00 0.00 175.26 175.08 1cr7 s THR 3 N 2.44 2.53 -0.14 -1.70 2.01 -1.26 -0.87 115.64 118.65 1cr7 s THR 3 Ca 0.23 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.38 1cr7 s THR 3 Cb -0.15 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1cr7 s THR 3 CO 0.10 0.55 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.73 1cr7 s VAL 4 N 0.26 2.71 -0.08 3.82 1.01 -0.82 -4.97 120.40 122.33 1cr7 s VAL 4 Ca -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1cr7 s VAL 4 Cb -0.16 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1cr7 s VAL 4 CO 0.07 0.53 0.24 -0.94 0.00 0.00 0.00 175.10 175.00 1cr7 s SER 5 N 0.55 -0.23 0.26 3.32 1.04 -1.26 -0.99 113.70 116.40 1cr7 s SER 5 Ca -0.10 0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.63 1cr7 s SER 5 Cb -0.16 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1cr7 s SER 5 CO 0.04 -0.13 0.47 0.72 0.98 0.00 0.00 173.24 175.32 1cr7 s PHE 6 N -0.09 0.46 -0.29 5.02 -0.12 -0.20 -4.98 117.98 117.79 1cr7 s PHE 6 Ca -0.02 -0.81 -0.10 0.00 -0.05 0.00 0.00 56.93 55.95 1cr7 s PHE 6 Cb -0.02 0.15 0.12 0.00 -0.63 0.00 0.00 43.02 42.64 1cr7 s PHE 6 CO 0.01 -1.01 0.63 1.21 -0.05 0.00 0.00 175.22 176.00 1cr7 s ASN 7 N -3.05 -1.05 -0.25 1.98 2.47 -1.26 -0.90 114.94 112.88 1cr7 s ASN 7 Ca 0.24 1.52 0.02 0.00 0.42 0.00 0.00 52.86 55.06 1cr7 s ASN 7 Cb -0.00 2.18 0.05 0.00 -1.45 0.00 0.00 41.25 42.02 1cr7 s ASN 7 CO 0.10 -0.22 -0.11 -0.36 -3.72 0.00 0.00 177.10 172.79 1cr7 s PHE 8 N 2.82 3.16 -0.42 0.43 0.40 0.87 -4.96 117.98 120.28 1cr7 s PHE 8 Ca -0.06 -2.11 0.23 0.00 -0.60 0.00 0.00 56.93 54.40 1cr7 s PHE 8 Cb -0.12 -1.95 0.12 0.00 0.51 0.00 0.00 43.02 41.58 1cr7 s PHE 8 CO -0.18 -0.85 1.14 -0.91 0.70 0.00 0.00 175.22 175.11 1cr7 h ASN 9 N 7.84 0.00 -5.02 1.36 2.35 -1.88 -1.55 115.58 118.69 1cr7 h ASN 9 Ca -0.25 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1cr7 h ASN 9 Cb 1.07 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.31 1cr7 h ASN 9 CO 0.51 0.06 0.14 -0.94 -1.65 0.00 0.00 177.43 175.55 1cr7 s SER 10 N -4.79 -0.48 0.04 5.81 1.04 -1.26 -4.71 113.70 109.35 1cr7 s SER 10 Ca 0.02 -0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.43 1cr7 s SER 10 Cb 0.11 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1cr7 s SER 10 CO 0.77 -0.95 -0.22 -0.36 0.98 0.00 0.00 173.24 173.46 1cr7 s PHE 11 N -3.77 1.94 -0.01 5.02 0.40 -0.20 -5.06 117.98 116.31 1cr7 s PHE 11 Ca 0.02 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1cr7 s PHE 11 Cb -0.00 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.35 1cr7 s PHE 11 CO -0.12 0.08 -0.08 -1.54 0.70 0.00 0.00 175.22 174.26 1cr7 s SER 12 N -1.11 1.01 0.70 1.36 1.04 -1.26 -4.47 113.70 110.98 1cr7 s SER 12 Ca 0.09 -0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 1cr7 s SER 12 Cb -0.09 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.91 1cr7 s SER 12 CO 0.02 0.10 1.24 -1.61 0.98 0.00 0.00 173.24 173.97 1cr7 s GLU 13 N -0.13 2.27 0.00 4.02 2.02 -1.26 -2.65 118.70 122.96 1cr7 s GLU 13 Ca 0.02 1.89 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1cr7 s GLU 13 Cb -0.04 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1cr7 s GLU 13 CO -0.00 -1.77 0.00 0.41 0.02 0.00 0.00 175.26 173.92 1cr7 n GLY 14 N 0.63 2.62 3.61 -1.39 0.00 -1.26 -4.98 105.19 104.42 1cr7 n GLY 14 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1cr7 n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cr7 s ASN 15 N -1.79 5.92 0.00 1.61 3.04 -1.09 -4.80 114.94 117.84 1cr7 s ASN 15 Ca 0.00 1.61 0.00 0.00 0.04 0.00 0.00 52.86 54.51 1cr7 s ASN 15 Cb 0.00 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.19 1cr7 s ASN 15 CO 0.00 -1.64 0.90 -0.81 -3.04 0.00 0.00 177.10 172.51 1cr7 n PRO 16 N 8.30 0.00 0.02 0.43 -0.04 -1.26 -1.29 135.00 141.16 1cr7 n PRO 16 Ca 0.24 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.23 1cr7 n PRO 16 Cb 0.46 -1.58 0.53 0.00 -0.04 0.00 0.00 33.50 32.86 1cr7 n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cr7 n ALA 17 N -1.40 2.20 -3.49 0.55 0.00 -1.26 -4.67 120.51 112.44 1cr7 n ALA 17 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 1cr7 n ALA 17 Cb 0.08 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.94 1cr7 n ALA 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cr7 s ILE 18 N -3.03 0.92 -0.24 0.00 1.01 -0.41 -1.20 121.20 118.25 1cr7 s ILE 18 Ca 0.12 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 1cr7 s ILE 18 Cb 0.16 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1cr7 s ILE 18 CO 0.50 0.31 0.15 0.20 0.00 0.00 0.00 174.94 176.09 1cr7 s ASN 19 N 0.71 6.01 -0.12 3.58 0.02 -0.47 -4.83 114.94 119.83 1cr7 s ASN 19 Ca -0.13 0.08 -0.07 0.00 -1.02 0.00 0.00 52.86 51.72 1cr7 s ASN 19 Cb -0.15 -2.08 -0.04 0.00 0.02 0.00 0.00 41.25 39.00 1cr7 s ASN 19 CO 0.02 0.06 0.14 -0.36 0.02 0.00 0.00 177.10 176.99 1cr7 s PHE 20 N 1.07 3.58 -0.03 2.20 0.40 -1.26 -1.62 117.98 122.31 1cr7 s PHE 20 Ca 0.07 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 1cr7 s PHE 20 Cb -0.14 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1cr7 s PHE 20 CO 0.04 0.71 -0.04 -0.65 0.70 0.00 0.00 175.22 175.98 1cr7 s GLN 21 N -0.94 0.62 3.94 0.44 -0.21 -0.79 -5.02 119.66 117.70 1cr7 s GLN 21 Ca 0.14 -0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1cr7 s GLN 21 Cb -0.12 -0.66 0.00 0.00 1.00 0.00 0.00 33.01 33.23 1cr7 s GLN 21 CO 0.04 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.58 1cr7 n GLY 22 N 3.77 0.46 0.78 3.09 0.00 -1.26 -1.18 105.19 110.85 1cr7 n GLY 22 Ca -0.23 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1cr7 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr7 n ASP 23 N 2.36 1.97 -4.77 1.61 10.43 0.13 -4.92 116.55 123.37 1cr7 n ASP 23 Ca 0.00 -1.88 -0.35 0.00 2.57 0.00 0.00 54.79 55.13 1cr7 n ASP 23 Cb 0.00 -0.47 0.01 0.00 1.84 0.00 0.00 41.12 42.50 1cr7 n ASP 23 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1cr7 s VAL 24 N -0.42 3.06 -0.25 2.53 1.01 -1.25 -4.26 120.40 120.82 1cr7 s VAL 24 Ca 0.00 0.68 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 1cr7 s VAL 24 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1cr7 s VAL 24 CO 0.00 -0.13 0.67 0.28 0.00 0.00 0.00 175.10 175.92 1cr7 s THR 25 N -1.71 -0.00 -0.21 3.92 -1.32 -0.53 -5.01 115.64 110.78 1cr7 s THR 25 Ca 0.72 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.10 1cr7 s THR 25 Cb -0.26 -0.93 -0.05 0.00 -1.51 0.00 0.00 72.50 69.75 1cr7 s THR 25 CO 0.29 0.00 0.15 -0.69 -2.21 0.00 0.00 174.62 172.16 1cr7 s VAL 26 N 0.36 5.39 0.81 5.08 1.01 -1.26 0.58 120.40 132.37 1cr7 s VAL 26 Ca -0.00 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1cr7 s VAL 26 Cb -0.05 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.92 1cr7 s VAL 26 CO 0.01 0.41 1.17 -0.76 0.00 0.00 0.00 175.10 175.92 1cr7 s LEU 27 N 0.58 2.49 0.30 3.92 1.43 0.64 -4.95 118.68 123.09 1cr7 s LEU 27 Ca 0.08 0.85 0.24 0.00 -1.03 0.00 0.00 54.13 54.27 1cr7 s LEU 27 Cb -0.12 -3.35 1.09 0.00 0.03 0.00 0.00 46.19 43.84 1cr7 s LEU 27 CO 0.00 -1.93 1.73 0.77 0.23 0.00 0.00 176.35 177.16 1cr7 h SER 28 N -1.07 0.00 -0.20 2.29 4.64 -1.98 -2.13 113.55 115.10 1cr7 h SER 28 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1cr7 h SER 28 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1cr7 h SER 28 CO 0.65 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.15 1cr7 n ASN 29 N -2.33 2.40 0.00 4.97 2.04 -1.26 -4.93 115.26 116.16 1cr7 n ASN 29 Ca 0.01 -1.82 0.00 0.00 -0.44 0.00 0.00 54.58 52.33 1cr7 n ASN 29 Cb 0.19 -0.13 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 1cr7 n ASN 29 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr7 n GLY 30 N 1.29 0.72 3.82 4.83 0.00 -0.80 -4.90 105.19 110.14 1cr7 n GLY 30 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1cr7 n GLY 30 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr7 s ASN 31 N -2.72 7.01 -0.23 1.61 0.02 -1.26 -1.03 114.94 118.33 1cr7 s ASN 31 Ca 0.00 1.42 -0.16 0.00 -1.02 0.00 0.00 52.86 53.10 1cr7 s ASN 31 Cb 0.00 -2.42 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1cr7 s ASN 31 CO 0.00 -0.04 0.43 -0.63 0.02 0.00 0.00 177.10 176.88 1cr7 s ILE 32 N -1.65 5.15 -0.22 0.60 1.01 -0.91 -0.26 121.20 124.93 1cr7 s ILE 32 Ca 0.46 0.74 -0.15 0.00 0.00 0.00 0.00 60.65 61.70 1cr7 s ILE 32 Cb -0.15 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1cr7 s ILE 32 CO 0.20 0.18 0.38 -1.58 0.00 0.00 0.00 174.94 174.13 1cr7 s GLN 33 N 1.76 4.14 0.06 2.79 0.74 0.20 -1.34 119.66 128.01 1cr7 s GLN 33 Ca 0.19 0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.76 1cr7 s GLN 33 Cb -0.15 -3.56 -0.26 0.00 1.10 0.00 0.00 33.01 30.14 1cr7 s GLN 33 CO 0.09 -0.09 1.07 -0.07 -0.55 0.00 0.00 175.29 175.74 1cr7 h LEU 34 N 7.84 0.25 -9.65 3.68 3.38 -1.52 -1.41 115.31 117.88 1cr7 h LEU 34 Ca -0.35 -0.30 -0.61 0.00 0.09 0.00 0.00 57.88 56.71 1cr7 h LEU 34 Cb 1.16 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 1cr7 h LEU 34 CO 0.70 1.24 -0.60 0.42 0.09 0.00 0.00 178.44 180.29 1cr7 s THR 35 N -2.66 2.20 -0.20 0.22 -4.23 -1.26 -3.10 115.64 106.62 1cr7 s THR 35 Ca -0.04 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 1cr7 s THR 35 Cb 0.08 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 1cr7 s THR 35 CO 0.85 -0.07 0.01 0.21 -0.54 0.00 0.00 174.62 175.08 1cr7 s ASN 36 N -3.73 4.90 0.44 3.99 3.84 -1.26 -4.92 114.94 118.20 1cr7 s ASN 36 Ca 0.36 -0.18 0.29 0.00 0.21 0.00 0.00 52.86 53.54 1cr7 s ASN 36 Cb 0.06 -1.84 1.12 0.00 -0.55 0.00 0.00 41.25 40.04 1cr7 s ASN 36 CO 0.19 0.07 1.86 -0.07 -2.79 0.00 0.00 177.10 176.35 1cr7 h LEU 37 N 7.45 0.00 -1.18 3.21 4.07 -1.97 -3.18 115.31 123.71 1cr7 h LEU 37 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.60 1cr7 h LEU 37 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1cr7 h LEU 37 CO 0.61 0.00 -0.15 0.59 -1.08 0.00 0.00 178.44 178.41 1cr7 n ASN 38 N -2.80 1.98 -4.56 -0.43 3.02 -1.26 -4.93 115.26 106.28 1cr7 n ASN 38 Ca 0.02 -1.54 -0.34 0.00 -0.03 0.00 0.00 54.58 52.69 1cr7 n ASN 38 Cb 0.31 0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.50 1cr7 n ASN 38 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1cr7 s LYS 39 N -2.20 2.79 0.31 3.52 1.02 -1.20 -5.10 119.74 118.88 1cr7 s LYS 39 Ca 0.28 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.43 1cr7 s LYS 39 Cb 0.20 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1cr7 s LYS 39 CO 0.41 0.63 1.08 0.08 -0.92 0.00 0.00 175.35 176.63 1cr7 s VAL 40 N -0.71 3.56 -1.41 3.17 1.01 -1.26 -3.67 120.40 121.09 1cr7 s VAL 40 Ca 0.11 1.47 -0.02 0.00 0.00 0.00 0.00 61.98 63.54 1cr7 s VAL 40 Cb -0.11 -3.89 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1cr7 s VAL 40 CO 0.02 0.27 0.52 0.59 0.00 0.00 0.00 175.10 176.50 1cr7 n ASN 41 N 0.85 -0.89 -4.77 3.32 5.03 -1.17 -4.92 115.26 112.72 1cr7 n ASN 41 Ca 0.01 -0.96 -0.40 0.00 0.87 0.00 0.00 54.58 54.10 1cr7 n ASN 41 Cb 0.46 -3.27 -0.03 0.00 -1.02 0.00 0.00 39.78 35.92 1cr7 n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cr7 s SER 42 N -4.25 6.86 -0.02 6.41 0.15 -1.24 -4.32 113.70 117.29 1cr7 s SER 42 Ca 0.09 2.42 -0.02 0.00 0.70 0.00 0.00 55.95 59.14 1cr7 s SER 42 Cb -0.05 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1cr7 s SER 42 CO 0.87 -0.45 0.04 -0.69 1.20 0.00 0.00 173.24 174.22 1cr7 s VAL 43 N -1.25 -0.00 -0.06 4.45 1.01 -1.26 -1.06 120.40 122.23 1cr7 s VAL 43 Ca 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1cr7 s VAL 43 Cb -0.34 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 35.99 1cr7 s VAL 43 CO 0.44 0.00 0.28 -0.83 0.00 0.00 0.00 175.10 174.99 1cr7 s GLY 44 N 0.04 -0.16 -0.05 4.51 0.00 -1.03 0.22 107.32 110.84 1cr7 s GLY 44 Ca -0.00 0.52 -0.08 0.00 0.00 0.00 0.00 44.72 45.15 1cr7 s GLY 44 CO 0.00 0.37 0.21 0.50 0.00 0.00 0.00 173.10 174.18 1cr7 s ARG 45 N -0.58 0.37 -0.09 2.90 0.52 -0.32 -1.62 118.95 120.13 1cr7 s ARG 45 Ca -0.07 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 1cr7 s ARG 45 Cb -0.04 0.17 0.01 0.00 0.52 0.00 0.00 34.95 35.60 1cr7 s ARG 45 CO 0.02 -0.07 -0.18 0.54 0.02 0.00 0.00 175.30 175.63 1cr7 s VAL 46 N -0.44 1.60 0.10 3.52 0.11 0.23 -1.89 120.40 123.63 1cr7 s VAL 46 Ca -0.05 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1cr7 s VAL 46 Cb -0.04 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.36 1cr7 s VAL 46 CO 0.01 0.46 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.27 1cr7 s LEU 47 N 0.61 2.29 -0.22 2.54 1.43 -0.64 -1.14 118.68 123.55 1cr7 s LEU 47 Ca -0.14 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.01 1cr7 s LEU 47 Cb -0.16 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1cr7 s LEU 47 CO 0.05 0.07 0.97 -0.47 0.23 0.00 0.00 176.35 177.20 1cr7 s TYR 48 N -1.13 3.35 0.16 0.29 5.04 -0.46 -1.37 117.35 123.23 1cr7 s TYR 48 Ca 0.06 1.38 -0.23 0.00 -2.44 0.00 0.00 57.07 55.85 1cr7 s TYR 48 Cb -0.10 -3.20 0.05 0.00 0.35 0.00 0.00 41.96 39.07 1cr7 s TYR 48 CO 0.04 -0.43 1.61 0.00 -1.34 0.00 0.00 175.55 175.43 1cr7 h ALA 49 N 7.47 -0.15 -2.06 3.97 0.00 -1.43 -3.41 119.26 123.66 1cr7 h ALA 49 Ca -0.21 0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.23 1cr7 h ALA 49 Cb 1.08 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1cr7 h ALA 49 CO 0.94 -0.70 1.00 1.41 0.00 0.00 0.00 179.25 181.90 1cr7 s MET 50 N -6.04 4.00 0.63 0.00 -2.45 -1.26 -4.99 119.30 109.19 1cr7 s MET 50 Ca -0.15 1.56 -0.18 0.00 -1.25 0.00 0.00 55.69 55.67 1cr7 s MET 50 Cb 0.13 -3.90 -0.02 0.00 1.25 0.00 0.00 34.83 32.29 1cr7 s MET 50 CO 0.68 -1.02 1.26 -1.25 1.05 0.00 0.00 175.02 175.74 1cr7 s PRO 51 N 4.09 2.70 -0.08 4.11 0.04 -1.26 -4.92 135.00 139.69 1cr7 s PRO 51 Ca 0.61 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.63 1cr7 s PRO 51 Cb -0.22 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1cr7 s PRO 51 CO 0.23 -1.45 -0.10 0.08 0.04 0.00 0.00 177.00 175.79 1cr7 s VAL 52 N -1.48 3.38 -0.70 -0.36 1.01 0.33 -4.91 120.40 117.67 1cr7 s VAL 52 Ca 0.80 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 1cr7 s VAL 52 Cb -0.35 -2.38 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1cr7 s VAL 52 CO 0.37 0.57 1.00 -0.60 0.00 0.00 0.00 175.10 176.45 1cr7 s ARG 53 N -0.48 3.18 0.14 2.72 3.52 -1.26 -0.79 118.95 125.98 1cr7 s ARG 53 Ca 0.07 -0.93 0.26 0.00 -0.13 0.00 0.00 55.73 55.00 1cr7 s ARG 53 Cb -0.12 -4.33 0.78 0.00 -1.56 0.00 0.00 34.95 29.72 1cr7 s ARG 53 CO 0.02 -1.83 1.69 0.44 -0.81 0.00 0.00 175.30 174.81 1cr7 n ILE 54 N 5.91 0.41 -3.84 4.11 -5.35 -0.51 -4.83 119.36 115.26 1cr7 n ILE 54 Ca 0.00 -0.22 -0.08 0.00 -0.27 0.00 0.00 62.75 62.18 1cr7 n ILE 54 Cb 0.46 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 1cr7 n ILE 54 CO 0.00 0.00 0.00 -1.66 -1.76 0.00 0.00 176.55 173.13 1cr7 s TRP 55 N -3.09 0.06 -0.14 4.28 1.48 -1.11 -0.22 118.94 120.21 1cr7 s TRP 55 Ca 0.10 -0.63 -0.06 0.00 -1.06 0.00 0.00 56.10 54.45 1cr7 s TRP 55 Cb 0.14 0.73 0.06 0.00 -1.16 0.00 0.00 33.47 33.24 1cr7 s TRP 55 CO 0.62 -1.42 0.31 0.45 -4.06 0.00 0.00 176.95 172.85 1cr7 s SER 56 N -3.02 -0.19 0.54 -2.66 0.15 -0.96 -4.73 113.70 102.83 1cr7 s SER 56 Ca 0.15 0.69 0.33 0.00 0.70 0.00 0.00 55.95 57.82 1cr7 s SER 56 Cb -0.05 0.67 1.33 0.00 -1.71 0.00 0.00 66.02 66.26 1cr7 s SER 56 CO 0.10 -0.20 1.97 0.77 1.20 0.00 0.00 173.24 177.08 1cr7 h SER 57 N 7.53 0.00 -0.12 5.45 4.64 -1.94 0.62 113.55 129.73 1cr7 h SER 57 Ca -0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 1cr7 h SER 57 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1cr7 h SER 57 CO 0.27 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 176.17 1cr7 h ALA 58 N 2.01 0.17 0.00 5.18 0.00 -1.98 -3.35 119.26 121.29 1cr7 h ALA 58 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.28 1cr7 h ALA 58 Cb 0.52 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1cr7 h ALA 58 CO 0.00 -0.04 -2.34 0.25 0.00 0.00 0.00 179.25 177.12 1cr7 n THR 59 N -4.68 1.45 -0.33 0.00 -2.24 -1.18 -4.99 114.28 102.30 1cr7 n THR 59 Ca -0.06 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1cr7 n THR 59 Cb 0.29 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1cr7 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cr7 n GLY 60 N 1.87 0.71 3.77 3.38 0.00 0.22 -5.04 105.19 110.09 1cr7 n GLY 60 Ca -0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1cr7 n GLY 60 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cr7 s ASN 61 N -2.98 7.06 0.06 1.61 0.02 -1.24 -4.83 114.94 114.63 1cr7 s ASN 61 Ca 0.00 2.09 0.06 0.00 -1.02 0.00 0.00 52.86 53.99 1cr7 s ASN 61 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 1cr7 s ASN 61 CO 0.00 -0.28 -0.13 -0.69 0.02 0.00 0.00 177.10 176.02 1cr7 s VAL 62 N -1.45 3.18 0.46 1.60 1.01 -1.26 -2.27 120.40 121.67 1cr7 s VAL 62 Ca 0.51 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 1cr7 s VAL 62 Cb -0.25 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1cr7 s VAL 62 CO 0.32 0.26 0.80 0.00 0.00 0.00 0.00 175.10 176.47 1cr7 s ALA 63 N -1.05 3.36 0.05 5.51 0.00 0.70 -4.72 121.76 125.61 1cr7 s ALA 63 Ca 0.18 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.83 1cr7 s ALA 63 Cb -0.11 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1cr7 s ALA 63 CO 0.09 -0.24 -0.07 -1.12 0.00 0.00 0.00 175.76 174.43 1cr7 s SER 64 N -3.73 4.63 0.07 0.00 0.01 -0.93 -4.24 113.70 109.51 1cr7 s SER 64 Ca 0.49 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.51 1cr7 s SER 64 Cb -0.10 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 1cr7 s SER 64 CO 0.40 0.23 0.03 0.72 0.41 0.00 0.00 173.24 175.04 1cr7 s PHE 65 N -1.11 0.49 -0.03 2.43 -0.12 -0.53 -1.76 117.98 117.35 1cr7 s PHE 65 Ca 0.20 -0.99 0.01 0.00 -0.05 0.00 0.00 56.93 56.09 1cr7 s PHE 65 Cb -0.11 -0.33 0.03 0.00 -0.63 0.00 0.00 43.02 41.97 1cr7 s PHE 65 CO 0.11 -0.44 -0.01 -1.17 -0.05 0.00 0.00 175.22 173.66 1cr7 s LEU 66 N -2.93 1.20 -0.07 -1.99 2.96 0.02 -0.24 118.68 117.63 1cr7 s LEU 66 Ca 0.09 -0.04 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 1cr7 s LEU 66 Cb 0.07 -0.26 0.03 0.00 0.50 0.00 0.00 46.19 46.54 1cr7 s LEU 66 CO -0.08 -0.09 0.39 0.28 -1.32 0.00 0.00 176.35 175.52 1cr7 s THR 67 N 0.99 0.03 0.02 3.68 -1.32 0.04 -0.82 115.64 118.27 1cr7 s THR 67 Ca -0.10 -0.24 -0.04 0.00 -1.21 0.00 0.00 61.69 60.10 1cr7 s THR 67 Cb -0.14 -0.64 -0.01 0.00 -1.51 0.00 0.00 72.50 70.20 1cr7 s THR 67 CO -0.01 -0.13 0.06 -0.94 -2.21 0.00 0.00 174.62 171.38 1cr7 s SER 68 N -0.73 0.18 0.16 8.08 1.04 -1.03 0.64 113.70 122.03 1cr7 s SER 68 Ca -0.08 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 1cr7 s SER 68 Cb -0.04 0.18 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1cr7 s SER 68 CO 0.03 -0.41 0.75 0.72 0.98 0.00 0.00 173.24 175.32 1cr7 s PHE 69 N -1.97 -0.34 0.02 5.02 -0.12 -0.73 -1.74 117.98 118.12 1cr7 s PHE 69 Ca -0.11 0.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1cr7 s PHE 69 Cb -0.05 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 1cr7 s PHE 69 CO -0.02 -0.89 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.59 1cr7 s SER 70 N -2.78 1.48 0.38 1.98 1.04 -0.90 -1.11 113.70 113.80 1cr7 s SER 70 Ca 0.06 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.20 1cr7 s SER 70 Cb -0.02 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 1cr7 s SER 70 CO -0.04 0.07 0.20 0.72 0.98 0.00 0.00 173.24 175.17 1cr7 s PHE 71 N -0.62 1.77 -0.16 5.02 -0.12 -0.77 0.13 117.98 123.22 1cr7 s PHE 71 Ca 0.02 -1.47 -0.07 0.00 -0.05 0.00 0.00 56.93 55.36 1cr7 s PHE 71 Cb -0.06 -0.96 0.07 0.00 -0.63 0.00 0.00 43.02 41.43 1cr7 s PHE 71 CO 0.00 -0.56 0.36 -2.00 -0.05 0.00 0.00 175.22 172.97 1cr7 s GLU 72 N -3.58 0.29 -0.17 1.99 2.12 -0.32 -1.55 118.70 117.49 1cr7 s GLU 72 Ca 0.30 0.83 -0.02 0.00 0.36 0.00 0.00 54.97 56.45 1cr7 s GLU 72 Cb 0.02 0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 1cr7 s GLU 72 CO 0.20 -0.22 -0.09 -1.64 -0.54 0.00 0.00 175.26 172.97 1cr7 s MET 73 N 2.02 3.39 -0.00 4.30 -1.94 -1.26 -1.17 119.30 124.64 1cr7 s MET 73 Ca -0.05 -0.65 0.05 0.00 -1.71 0.00 0.00 55.69 53.34 1cr7 s MET 73 Cb -0.11 -2.81 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1cr7 s MET 73 CO -0.11 0.03 -0.17 0.21 -0.01 0.00 0.00 175.02 174.97 1cr7 s LYS 74 N 0.85 1.30 0.50 2.03 2.20 -0.75 -2.09 119.74 123.78 1cr7 s LYS 74 Ca -0.03 -0.65 -0.20 0.00 -0.36 0.00 0.00 55.97 54.73 1cr7 s LYS 74 Cb -0.15 -1.29 -0.08 0.00 -1.51 0.00 0.00 37.83 34.81 1cr7 s LYS 74 CO 0.01 0.35 1.06 -0.51 -0.36 0.00 0.00 175.35 175.89 1cr7 s ASP 75 N -0.57 6.19 0.07 1.43 -0.00 -1.26 -1.71 116.67 120.82 1cr7 s ASP 75 Ca 0.06 1.96 0.06 0.00 -0.00 0.00 0.00 52.55 54.63 1cr7 s ASP 75 Cb -0.07 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 1cr7 s ASP 75 CO -0.00 -0.89 -0.16 0.27 -0.00 0.00 0.00 175.17 174.39 1cr7 s ILE 76 N -1.98 1.28 0.27 0.77 -4.36 -1.26 -4.88 121.20 111.04 1cr7 s ILE 76 Ca 0.68 -1.27 -0.31 0.00 -0.26 0.00 0.00 60.65 59.49 1cr7 s ILE 76 Cb -0.18 -1.18 -0.12 0.00 1.25 0.00 0.00 42.46 42.23 1cr7 s ILE 76 CO 0.22 -0.10 1.56 1.17 0.24 0.00 0.00 174.94 178.03 1cr7 n LYS 77 N 1.43 2.55 -0.22 0.37 4.81 -1.26 -3.02 118.16 122.82 1cr7 n LYS 77 Ca -0.20 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1cr7 n LYS 77 Cb 0.54 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1cr7 n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1cr7 n ASP 78 N 2.32 0.00 -4.58 3.14 8.00 -1.26 -5.02 116.55 119.15 1cr7 n ASP 78 Ca 0.10 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.30 1cr7 n ASP 78 Cb 0.35 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 1cr7 n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1cr7 s TYR 79 N -3.10 2.73 0.14 1.24 1.51 -1.17 -5.04 117.35 113.66 1cr7 s TYR 79 Ca 0.00 -0.16 -0.30 0.00 -1.01 0.00 0.00 57.07 55.60 1cr7 s TYR 79 Cb 0.00 -1.42 -0.06 0.00 -0.11 0.00 0.00 41.96 40.37 1cr7 s TYR 79 CO 0.00 0.43 0.95 -0.51 -1.11 0.00 0.00 175.55 175.32 1cr7 s ASP 80 N -2.27 7.53 -0.37 2.29 -0.00 -0.95 -4.72 116.67 118.18 1cr7 s ASP 80 Ca 0.22 1.82 -0.28 0.00 -0.00 0.00 0.00 52.55 54.31 1cr7 s ASP 80 Cb -0.11 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.20 1cr7 s ASP 80 CO 0.14 -0.02 1.88 -2.84 -0.00 0.00 0.00 175.17 174.33 1cr7 s PRO 81 N -0.26 3.15 0.11 8.23 0.02 -1.26 -1.98 135.00 143.01 1cr7 s PRO 81 Ca 0.45 1.37 -0.24 0.00 0.02 0.00 0.00 61.00 62.60 1cr7 s PRO 81 Cb -0.24 -4.26 0.07 0.00 0.02 0.00 0.00 34.50 30.09 1cr7 s PRO 81 CO 0.30 -2.08 0.60 0.00 -0.33 0.00 0.00 177.00 175.49 1cr7 s ALA 82 N 7.62 -1.59 -1.01 -1.55 0.00 -1.26 -4.46 121.76 119.50 1cr7 s ALA 82 Ca 0.81 0.63 0.10 0.00 0.00 0.00 0.00 51.96 53.50 1cr7 s ALA 82 Cb -0.22 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1cr7 s ALA 82 CO 0.31 -0.67 0.69 -0.25 0.00 0.00 0.00 175.76 175.84 1cr7 n ASP 83 N -0.08 1.43 0.00 0.00 8.00 0.23 -3.52 116.55 122.61 1cr7 n ASP 83 Ca -0.17 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.11 1cr7 n ASP 83 Cb 0.63 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 1cr7 n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cr7 n GLY 84 N 0.74 0.76 3.48 0.44 0.00 -1.26 -2.74 105.19 106.60 1cr7 n GLY 84 Ca 0.05 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 1cr7 n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cr7 s ILE 85 N -1.05 2.52 -0.10 -0.61 1.01 -1.04 -3.74 121.20 118.18 1cr7 s ILE 85 Ca 0.00 -2.38 -0.07 0.00 0.00 0.00 0.00 60.65 58.21 1cr7 s ILE 85 Cb 0.00 -2.34 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1cr7 s ILE 85 CO 0.00 -0.39 0.25 -0.51 0.00 0.00 0.00 174.94 174.29 1cr7 s ILE 86 N -2.51 -0.03 -0.27 2.92 2.07 -0.70 -0.26 121.20 122.43 1cr7 s ILE 86 Ca 0.30 0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.50 1cr7 s ILE 86 Cb -0.05 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 1cr7 s ILE 86 CO 0.15 0.04 0.30 0.12 -1.91 0.00 0.00 174.94 173.64 1cr7 s PHE 87 N 0.87 3.24 0.24 3.50 5.36 -0.25 -1.75 117.98 129.19 1cr7 s PHE 87 Ca -0.06 0.30 0.05 0.00 -0.96 0.00 0.00 56.93 56.26 1cr7 s PHE 87 Cb -0.07 -2.50 -0.05 0.00 -0.34 0.00 0.00 43.02 40.06 1cr7 s PHE 87 CO -0.06 -0.20 -0.04 -0.59 -1.46 0.00 0.00 175.22 172.87 1cr7 s PHE 88 N 1.95 1.71 -0.08 10.12 -0.12 0.09 -0.23 117.98 131.42 1cr7 s PHE 88 Ca 0.12 -0.79 0.01 0.00 -0.05 0.00 0.00 56.93 56.22 1cr7 s PHE 88 Cb -0.16 -0.97 0.02 0.00 -0.63 0.00 0.00 43.02 41.28 1cr7 s PHE 88 CO 0.10 0.13 -0.09 0.42 -0.05 0.00 0.00 175.22 175.74 1cr7 s ILE 89 N -3.21 0.97 0.23 -4.49 1.01 0.19 -1.57 121.20 114.32 1cr7 s ILE 89 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1cr7 s ILE 89 Cb 0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1cr7 s ILE 89 CO 0.09 0.33 0.17 0.00 0.00 0.00 0.00 174.94 175.54 1cr7 s ALA 90 N 1.12 1.27 0.68 9.38 0.00 -0.60 -1.37 121.76 132.24 1cr7 s ALA 90 Ca -0.06 -1.75 -0.17 0.00 0.00 0.00 0.00 51.96 49.98 1cr7 s ALA 90 Cb -0.14 1.40 0.01 0.00 0.00 0.00 0.00 23.12 24.39 1cr7 s ALA 90 CO -0.01 -0.61 1.24 -2.14 0.00 0.00 0.00 175.76 174.24 1cr7 s PRO 91 N -4.01 2.41 0.61 0.00 0.02 -1.26 -0.76 135.00 132.01 1cr7 s PRO 91 Ca 0.39 1.90 0.31 0.00 0.02 0.00 0.00 61.00 63.62 1cr7 s PRO 91 Cb 0.06 -1.85 1.76 0.00 0.02 0.00 0.00 34.50 34.49 1cr7 s PRO 91 CO 0.15 -1.66 2.10 1.05 -0.33 0.00 0.00 177.00 178.31 1cr7 h GLU 92 N 0.20 0.00 -0.01 5.54 4.11 -1.85 -1.36 114.58 121.21 1cr7 h GLU 92 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1cr7 h GLU 92 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1cr7 h GLU 92 CO 0.52 0.00 -0.07 -0.40 0.07 0.00 0.00 179.01 179.12 1cr7 n ASP 93 N -3.55 1.17 -4.53 3.06 5.68 -1.26 -4.89 116.55 112.22 1cr7 n ASP 93 Ca 0.01 -1.22 -0.46 0.00 -0.50 0.00 0.00 54.79 52.61 1cr7 n ASP 93 Cb 0.31 0.03 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1cr7 n ASP 93 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1cr7 n THR 94 N -0.23 1.91 -4.04 2.12 5.66 -0.51 -5.02 114.28 114.17 1cr7 n THR 94 Ca 0.17 -0.48 -0.10 0.00 -3.05 0.00 0.00 64.05 60.60 1cr7 n THR 94 Cb 0.33 -0.70 -0.08 0.00 -1.55 0.00 0.00 70.33 68.33 1cr7 n THR 94 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1cr7 s GLN 95 N -1.31 1.07 0.01 1.09 -1.52 -1.26 -5.08 119.66 112.67 1cr7 s GLN 95 Ca 0.61 -1.28 -0.30 0.00 -1.95 0.00 0.00 55.36 52.44 1cr7 s GLN 95 Cb -0.78 0.32 -0.07 0.00 -0.22 0.00 0.00 33.01 32.26 1cr7 s GLN 95 CO 0.58 -0.36 1.72 0.42 -0.25 0.00 0.00 175.29 177.40 1cr7 s ILE 96 N -4.00 3.27 0.22 1.08 1.01 -1.26 -4.89 121.20 116.62 1cr7 s ILE 96 Ca 0.20 0.48 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1cr7 s ILE 96 Cb 0.05 -3.31 -0.16 0.00 0.01 0.00 0.00 42.46 39.05 1cr7 s ILE 96 CO 0.01 -0.03 0.76 -2.65 0.00 0.00 0.00 174.94 173.03 1cr7 n PRO 97 N 6.69 0.53 -1.84 2.79 -0.02 -1.26 -4.84 135.00 137.05 1cr7 n PRO 97 Ca 0.17 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 1cr7 n PRO 97 Cb 0.42 -1.37 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 1cr7 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cr7 s ALA 98 N -0.90 3.70 -0.55 3.55 0.00 -1.26 -1.99 121.76 124.31 1cr7 s ALA 98 Ca 0.65 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.86 1cr7 s ALA 98 Cb -0.87 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1cr7 s ALA 98 CO 0.57 -1.21 0.48 0.41 0.00 0.00 0.00 175.76 176.00 1cr7 n GLY 99 N 4.14 0.30 3.64 0.00 0.00 -1.26 -4.93 105.19 107.07 1cr7 n GLY 99 Ca 0.17 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1cr7 n GLY 99 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cr7 s SER 100 N -3.21 6.37 0.00 1.61 0.15 -0.84 -4.86 113.70 112.92 1cr7 s SER 100 Ca 0.20 1.90 0.29 0.00 0.70 0.00 0.00 55.95 59.04 1cr7 s SER 100 Cb -0.09 -2.53 1.71 0.00 -1.71 0.00 0.00 66.02 63.40 1cr7 s SER 100 CO 0.30 -1.22 2.07 2.30 1.20 0.00 0.00 173.24 177.88 1cr7 n ILE 101 N 6.22 0.01 -2.38 6.45 -5.35 -1.26 -4.99 119.36 118.06 1cr7 n ILE 101 Ca 0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 1cr7 n ILE 101 Cb 0.44 -0.55 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 1cr7 n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cr7 n GLY 102 N 0.85 2.24 7.00 3.28 0.00 -1.26 -4.72 105.19 112.58 1cr7 n GLY 102 Ca 0.21 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1cr7 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr7 n GLY 103 N 0.00 2.43 0.00 -0.02 0.00 0.11 -2.52 105.19 105.18 1cr7 n GLY 103 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.71 1cr7 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cr7 n GLY 104 N 0.00 -0.21 0.03 -0.02 0.00 -1.26 -1.52 105.19 102.21 1cr7 n GLY 104 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1cr7 n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cr7 n THR 105 N -1.02 0.18 -1.20 2.61 -2.24 -1.05 -4.92 114.28 106.65 1cr7 n THR 105 Ca 0.05 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 1cr7 n THR 105 Cb 0.02 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 1cr7 n THR 105 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cr7 n LEU 106 N -1.77 -0.41 -0.01 3.22 4.77 -0.57 -1.23 117.00 121.00 1cr7 n LEU 106 Ca 0.05 0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1cr7 n LEU 106 Cb 0.38 -2.25 -0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1cr7 n LEU 106 CO 0.32 -0.83 -0.00 0.61 -1.33 0.00 0.00 177.39 176.16 1cr7 n GLY 107 N 0.13 0.45 0.07 -0.72 0.00 -1.26 -3.80 105.19 100.05 1cr7 n GLY 107 Ca -0.10 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.47 1cr7 n GLY 107 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1cr7 n VAL 108 N -2.99 0.46 -4.04 1.61 0.24 -0.37 -4.50 118.33 108.73 1cr7 n VAL 108 Ca -0.00 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.34 61.71 1cr7 n VAL 108 Cb 0.00 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.00 1cr7 n VAL 108 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cr7 s SER 109 N -0.66 -0.01 0.89 -1.34 1.04 -1.17 -4.56 113.70 107.89 1cr7 s SER 109 Ca 0.02 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 1cr7 s SER 109 Cb 0.02 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.72 1cr7 s SER 109 CO 0.00 -1.03 0.41 -0.90 0.98 0.00 0.00 173.24 172.70 1cr7 n ASP 110 N -0.33 0.12 0.30 7.02 5.68 -0.02 -4.83 116.55 124.49 1cr7 n ASP 110 Ca -0.01 -1.21 0.17 0.00 -0.50 0.00 0.00 54.79 53.24 1cr7 n ASP 110 Cb 0.63 -0.31 0.95 0.00 -1.14 0.00 0.00 41.12 41.25 1cr7 n ASP 110 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1cr7 h THR 111 N -1.08 0.35 -0.01 2.12 2.02 -1.91 -0.18 112.91 114.22 1cr7 h THR 111 Ca -0.13 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1cr7 h THR 111 Cb 0.39 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1cr7 h THR 111 CO 0.10 0.03 -0.02 0.29 0.37 0.00 0.00 175.52 176.29 1cr7 n LYS 112 N -3.52 1.40 -0.95 6.66 4.76 -1.26 -4.91 118.16 120.34 1cr7 n LYS 112 Ca -0.02 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.75 1cr7 n LYS 112 Cb 0.13 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1cr7 n LYS 112 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cr7 n GLY 113 N 1.15 0.73 3.90 0.72 0.00 -0.08 -4.91 105.19 106.71 1cr7 n GLY 113 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1cr7 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr7 s ALA 114 N -2.89 3.72 0.03 4.61 0.00 -1.26 -0.62 121.76 125.36 1cr7 s ALA 114 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.31 1cr7 s ALA 114 Cb 0.00 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1cr7 s ALA 114 CO 0.00 0.46 0.25 0.41 0.00 0.00 0.00 175.76 176.89 1cr7 n GLY 115 N -0.44 1.00 2.90 0.00 0.00 -1.16 -0.84 105.19 106.65 1cr7 n GLY 115 Ca -0.02 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1cr7 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1cr7 s HIS 116 N -4.58 3.32 0.26 1.61 2.46 -1.26 -4.55 115.29 112.55 1cr7 s HIS 116 Ca 0.06 -3.23 -0.21 0.00 0.47 0.00 0.00 55.06 52.15 1cr7 s HIS 116 Cb -0.01 -2.68 0.05 0.00 -0.13 0.00 0.00 32.58 29.81 1cr7 s HIS 116 CO 0.01 -0.63 0.84 -0.59 -2.47 0.00 0.00 174.74 171.90 1cr7 s PHE 117 N -0.95 -0.08 -0.03 3.88 -0.12 -1.26 -4.32 117.98 115.10 1cr7 s PHE 117 Ca 0.22 -0.38 -0.01 0.00 -0.05 0.00 0.00 56.93 56.71 1cr7 s PHE 117 Cb -0.13 0.72 0.03 0.00 -0.63 0.00 0.00 43.02 43.01 1cr7 s PHE 117 CO -0.10 -1.16 0.05 0.08 -0.05 0.00 0.00 175.22 174.04 1cr7 s VAL 118 N -3.20 -0.07 0.25 -2.49 1.01 -0.47 -0.65 120.40 114.79 1cr7 s VAL 118 Ca 0.14 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 1cr7 s VAL 118 Cb -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 36.38 36.27 1cr7 s VAL 118 CO 0.06 0.10 0.84 -0.83 0.00 0.00 0.00 175.10 175.28 1cr7 s GLY 119 N 1.22 -0.01 -0.20 4.51 0.00 -0.24 0.56 107.32 113.17 1cr7 s GLY 119 Ca -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.35 1cr7 s GLY 119 CO -0.04 0.19 -0.13 0.14 0.00 0.00 0.00 173.10 173.27 1cr7 s VAL 120 N -3.18 2.65 0.08 1.40 1.01 0.68 0.07 120.40 123.12 1cr7 s VAL 120 Ca 0.14 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1cr7 s VAL 120 Cb -0.04 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1cr7 s VAL 120 CO 0.06 0.47 0.08 -1.83 0.00 0.00 0.00 175.10 173.89 1cr7 s GLU 121 N 1.37 2.89 -0.67 2.72 -1.05 0.29 -1.09 118.70 123.15 1cr7 s GLU 121 Ca 0.05 -0.70 0.05 0.00 -0.15 0.00 0.00 54.97 54.22 1cr7 s GLU 121 Cb -0.14 -2.73 0.17 0.00 -0.44 0.00 0.00 34.13 31.00 1cr7 s GLU 121 CO -0.08 0.56 0.49 1.19 0.95 0.00 0.00 175.26 178.37 1cr7 n PHE 122 N 0.42 2.82 -2.52 4.83 3.01 0.64 -0.86 117.46 125.79 1cr7 n PHE 122 Ca -0.09 -4.20 -0.43 0.00 1.01 0.00 0.00 57.45 53.75 1cr7 n PHE 122 Cb 0.52 -0.53 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1cr7 n PHE 122 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1cr7 s ASP 123 N -1.36 6.87 -0.01 4.37 3.68 0.17 -2.49 116.67 127.90 1cr7 s ASP 123 Ca 0.26 1.29 0.14 0.00 2.13 0.00 0.00 52.55 56.38 1cr7 s ASP 123 Cb -0.02 -2.54 0.41 0.00 -1.45 0.00 0.00 42.92 39.32 1cr7 s ASP 123 CO -0.17 -0.89 1.34 0.35 0.13 0.00 0.00 175.17 175.94 1cr7 n THR 124 N 5.79 1.10 -3.73 1.71 -2.24 -1.11 -1.09 114.28 114.72 1cr7 n THR 124 Ca 0.13 -1.05 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 1cr7 n THR 124 Cb 0.46 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 69.01 1cr7 n THR 124 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1cr7 s TYR 125 N -1.13 -0.32 -0.26 4.78 5.04 -1.26 -4.64 117.35 119.56 1cr7 s TYR 125 Ca 0.31 0.78 -0.28 0.00 -2.44 0.00 0.00 57.07 55.44 1cr7 s TYR 125 Cb 0.17 0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.53 1cr7 s TYR 125 CO 0.20 -0.23 1.00 0.45 -1.34 0.00 0.00 175.55 175.62 1cr7 s SER 126 N 1.27 6.99 -0.35 4.32 0.15 -1.26 -5.00 113.70 119.81 1cr7 s SER 126 Ca -0.09 1.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.72 1cr7 s SER 126 Cb -0.10 -2.51 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 1cr7 s SER 126 CO -0.08 -0.69 0.10 0.20 1.20 0.00 0.00 173.24 173.97 1cr7 s ASN 127 N 1.36 5.13 0.55 5.45 -0.87 -1.26 -4.97 114.94 120.33 1cr7 s ASN 127 Ca 0.42 -1.55 0.31 0.00 -1.57 0.00 0.00 52.86 50.47 1cr7 s ASN 127 Cb -0.14 -1.79 1.58 0.00 -0.02 0.00 0.00 41.25 40.88 1cr7 s ASN 127 CO 0.09 -0.39 2.10 0.77 -2.57 0.00 0.00 177.10 177.10 1cr7 h SER 128 N 8.07 0.00 0.26 -1.22 4.64 -1.95 -1.96 113.55 121.38 1cr7 h SER 128 Ca -0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1cr7 h SER 128 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1cr7 h SER 128 CO 0.61 0.08 -0.19 1.05 -0.87 0.00 0.00 176.83 177.52 1cr7 h GLU 129 N 0.00 0.00 -0.36 4.77 9.09 -1.96 -2.59 114.58 123.53 1cr7 h GLU 129 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1cr7 h GLU 129 Cb 0.31 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1cr7 h GLU 129 CO 0.01 0.19 0.02 0.66 0.05 0.00 0.00 179.01 179.95 1cr7 n TYR 130 N -4.09 1.24 -3.72 2.06 0.53 -0.80 -4.97 117.16 107.41 1cr7 n TYR 130 Ca -0.02 -1.02 -0.27 0.00 -1.02 0.00 0.00 57.90 55.57 1cr7 n TYR 130 Cb 0.26 -0.40 0.03 0.00 -1.03 0.00 0.00 39.34 38.20 1cr7 n TYR 130 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1cr7 n ASN 131 N -0.48 -3.48 -4.76 7.72 3.02 -0.98 -4.17 115.26 112.13 1cr7 n ASN 131 Ca 0.26 -0.96 -0.39 0.00 -0.03 0.00 0.00 54.58 53.46 1cr7 n ASN 131 Cb 1.00 -3.55 -0.05 0.00 -0.61 0.00 0.00 39.78 36.56 1cr7 n ASN 131 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1cr7 s ASP 132 N -3.84 7.19 0.80 6.41 1.01 -0.84 -4.81 116.67 122.59 1cr7 s ASP 132 Ca 0.28 1.41 -0.12 0.00 0.71 0.00 0.00 52.55 54.83 1cr7 s ASP 132 Cb -0.09 -2.44 0.08 0.00 1.01 0.00 0.00 42.92 41.47 1cr7 s ASP 132 CO 0.85 0.11 1.16 -2.84 0.21 0.00 0.00 175.17 174.66 1cr7 s PRO 133 N -0.46 1.81 0.00 8.23 0.02 -1.26 -4.71 135.00 138.63 1cr7 s PRO 133 Ca 0.35 1.55 0.14 0.00 0.02 0.00 0.00 61.00 63.06 1cr7 s PRO 133 Cb -0.20 -1.82 0.81 0.00 0.02 0.00 0.00 34.50 33.31 1cr7 s PRO 133 CO 0.22 -2.04 1.23 -0.35 -0.33 0.00 0.00 177.00 175.73 1cr7 n PRO 134 N -3.38 0.43 -4.29 5.54 -0.04 -1.26 -4.64 135.00 127.37 1cr7 n PRO 134 Ca 0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1cr7 n PRO 134 Cb 0.51 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1cr7 n PRO 134 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1cr7 s THR 135 N -2.00 1.00 0.53 0.52 -4.23 -1.26 -4.94 115.64 105.26 1cr7 s THR 135 Ca 0.20 -2.03 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 1cr7 s THR 135 Cb 0.09 -2.14 -0.08 0.00 1.34 0.00 0.00 72.50 71.71 1cr7 s THR 135 CO 0.16 -0.49 0.80 0.47 -0.54 0.00 0.00 174.62 175.02 1cr7 n ASP 136 N -0.31 0.18 -3.66 3.99 10.43 -1.26 -4.88 116.55 121.04 1cr7 n ASP 136 Ca -0.07 0.85 -0.10 0.00 2.57 0.00 0.00 54.79 58.04 1cr7 n ASP 136 Cb 0.63 -1.29 -0.03 0.00 1.84 0.00 0.00 41.12 42.27 1cr7 n ASP 136 CO 0.00 0.00 0.00 -1.38 -1.07 0.00 0.00 177.20 174.75 1cr7 s HIS 137 N -1.52 -0.28 -0.08 1.24 -3.43 -0.25 -1.71 115.29 109.27 1cr7 s HIS 137 Ca 0.69 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.90 1cr7 s HIS 137 Cb -0.48 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.18 1cr7 s HIS 137 CO 0.53 -0.98 -0.06 0.08 -2.00 0.00 0.00 174.74 172.31 1cr7 s VAL 138 N -3.84 3.81 0.06 -5.38 1.01 -0.82 -0.66 120.40 114.57 1cr7 s VAL 138 Ca 0.07 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1cr7 s VAL 138 Cb -0.02 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1cr7 s VAL 138 CO -0.04 0.59 0.11 -0.83 0.00 0.00 0.00 175.10 174.94 1cr7 s GLY 139 N -0.75 0.20 -0.30 4.51 0.00 -0.04 -1.51 107.32 109.43 1cr7 s GLY 139 Ca 0.11 -0.71 -0.07 0.00 0.00 0.00 0.00 44.72 44.06 1cr7 s GLY 139 CO 0.02 -0.86 0.08 -0.42 0.00 0.00 0.00 173.10 171.92 1cr7 s ILE 140 N -3.37 3.90 -0.15 0.90 -1.09 -0.85 -0.55 121.20 119.99 1cr7 s ILE 140 Ca 0.01 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.61 1cr7 s ILE 140 Cb 0.03 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.84 1cr7 s ILE 140 CO -0.08 0.05 0.04 -1.81 -1.23 0.00 0.00 174.94 171.91 1cr7 s ASP 141 N 1.48 5.52 -0.44 3.58 -0.00 0.11 -1.17 116.67 125.76 1cr7 s ASP 141 Ca 0.02 0.11 0.02 0.00 -0.00 0.00 0.00 52.55 52.70 1cr7 s ASP 141 Cb -0.17 -1.85 0.14 0.00 -0.00 0.00 0.00 42.92 41.03 1cr7 s ASP 141 CO 0.02 0.24 0.25 -0.69 -0.00 0.00 0.00 175.17 174.99 1cr7 s VAL 142 N -0.03 1.22 -1.15 -1.27 1.01 -1.26 -1.08 120.40 117.84 1cr7 s VAL 142 Ca 0.05 -2.51 -0.00 0.00 0.00 0.00 0.00 61.98 59.52 1cr7 s VAL 142 Cb -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1cr7 s VAL 142 CO 0.01 -0.94 0.01 0.59 0.00 0.00 0.00 175.10 174.78 1cr7 n ASN 143 N 3.50 -4.21 -3.63 3.32 5.03 0.18 -4.96 115.26 114.50 1cr7 n ASN 143 Ca 0.11 -0.02 -0.04 0.00 0.87 0.00 0.00 54.58 55.50 1cr7 n ASN 143 Cb 0.36 -3.37 -0.04 0.00 -1.02 0.00 0.00 39.78 35.70 1cr7 n ASN 143 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cr7 s SER 144 N -2.40 -0.11 0.00 6.41 0.15 -1.26 -2.99 113.70 113.50 1cr7 s SER 144 Ca 0.01 0.11 0.20 0.00 0.70 0.00 0.00 55.95 56.97 1cr7 s SER 144 Cb -0.00 0.09 0.57 0.00 -1.71 0.00 0.00 66.02 64.97 1cr7 s SER 144 CO 0.01 -0.10 1.46 1.33 1.20 0.00 0.00 173.24 177.13 1cr7 n VAL 145 N 0.53 0.40 -3.06 4.45 0.24 0.21 -4.37 118.33 116.73 1cr7 n VAL 145 Ca -0.02 -0.54 -0.44 0.00 -2.04 0.00 0.00 64.34 61.30 1cr7 n VAL 145 Cb 0.59 0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 33.51 1cr7 n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cr7 s ASP 146 N -1.42 7.13 0.31 -1.34 3.68 -1.26 -4.92 116.67 118.85 1cr7 s ASP 146 Ca 0.34 -3.13 -0.24 0.00 2.13 0.00 0.00 52.55 51.65 1cr7 s ASP 146 Cb 0.19 -2.35 -0.16 0.00 -1.45 0.00 0.00 42.92 39.15 1cr7 s ASP 146 CO 0.27 -0.63 0.31 -1.20 0.13 0.00 0.00 175.17 174.05 1cr7 n SER 147 N 4.85 -2.03 0.22 -0.34 7.64 -1.26 -4.87 113.62 117.83 1cr7 n SER 147 Ca 0.32 0.96 0.11 0.00 1.01 0.00 0.00 58.87 61.27 1cr7 n SER 147 Cb 0.42 -0.93 0.32 0.00 -1.01 0.00 0.00 64.21 63.01 1cr7 n SER 147 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1cr7 h VAL 148 N 0.66 0.32 -1.64 0.44 2.07 -1.48 -3.45 116.25 113.18 1cr7 h VAL 148 Ca -0.33 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.05 1cr7 h VAL 148 Cb 1.44 1.93 -0.25 0.00 -1.52 0.00 0.00 31.29 32.89 1cr7 h VAL 148 CO 0.52 0.16 0.43 -0.75 0.02 0.00 0.00 177.57 177.95 1cr7 s LYS 149 N -3.37 0.56 0.42 1.57 2.20 -1.24 -5.04 119.74 114.84 1cr7 s LYS 149 Ca 0.04 0.56 0.04 0.00 -0.36 0.00 0.00 55.97 56.25 1cr7 s LYS 149 Cb 0.08 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 1cr7 s LYS 149 CO 0.65 -0.09 0.12 0.95 -0.36 0.00 0.00 175.35 176.62 1cr7 s THR 150 N 0.02 0.63 -0.23 3.43 -4.23 -1.26 -2.00 115.64 112.00 1cr7 s THR 150 Ca 0.02 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.35 1cr7 s THR 150 Cb -0.04 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1cr7 s THR 150 CO -0.04 0.00 0.60 0.54 -0.54 0.00 0.00 174.62 175.18 1cr7 s VAL 151 N -3.18 -0.00 0.41 2.29 0.11 -0.57 -4.98 120.40 114.49 1cr7 s VAL 151 Ca 0.22 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 59.02 1cr7 s VAL 151 Cb 0.02 -0.85 -0.09 0.00 -1.53 0.00 0.00 36.38 33.93 1cr7 s VAL 151 CO 0.14 0.01 1.41 -2.84 -3.33 0.00 0.00 175.10 170.49 1cr7 s PRO 152 N 0.83 3.90 0.28 1.54 0.02 -1.26 -1.95 135.00 138.36 1cr7 s PRO 152 Ca -0.04 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.33 1cr7 s PRO 152 Cb -0.05 -2.79 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 1cr7 s PRO 152 CO -0.07 -0.63 0.40 -0.46 -0.33 0.00 0.00 177.00 175.91 1cr7 s TRP 153 N -1.18 0.88 -0.11 6.54 -0.00 -0.70 -4.78 118.94 119.59 1cr7 s TRP 153 Ca 0.57 -1.14 -0.04 0.00 -0.00 0.00 0.00 56.10 55.49 1cr7 s TRP 153 Cb -0.43 -0.11 0.06 0.00 -0.00 0.00 0.00 33.47 32.99 1cr7 s TRP 153 CO 0.57 -0.99 0.20 1.21 -0.00 0.00 0.00 176.95 177.94 1cr7 s ASN 154 N -3.16 0.74 -0.09 5.86 2.47 -1.26 -4.21 114.94 115.28 1cr7 s ASN 154 Ca 0.30 0.33 -0.22 0.00 0.42 0.00 0.00 52.86 53.69 1cr7 s ASN 154 Cb 0.01 0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 40.18 1cr7 s ASN 154 CO 0.15 -0.26 0.64 -0.55 -3.72 0.00 0.00 177.10 173.36 1cr7 s SER 155 N 2.33 6.88 -0.24 -4.21 0.15 -1.26 -5.05 113.70 112.31 1cr7 s SER 155 Ca 0.03 1.06 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 1cr7 s SER 155 Cb -0.13 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 61.80 1cr7 s SER 155 CO -0.07 -0.10 -0.01 -0.69 1.20 0.00 0.00 173.24 173.56 1cr7 s VAL 156 N 0.87 3.56 0.11 4.45 1.01 -1.26 -5.07 120.40 124.07 1cr7 s VAL 156 Ca 0.34 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 1cr7 s VAL 156 Cb -0.17 -2.67 -0.11 0.00 0.00 0.00 0.00 36.38 33.44 1cr7 s VAL 156 CO 0.15 0.35 1.85 -0.24 0.00 0.00 0.00 175.10 177.22 1cr7 n SER 157 N 4.82 4.06 0.00 3.32 2.88 -1.26 -2.11 113.62 125.32 1cr7 n SER 157 Ca -0.17 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1cr7 n SER 157 Cb 0.50 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1cr7 n SER 157 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cr7 n GLY 158 N 4.27 1.56 3.77 0.46 0.00 -0.89 -4.94 105.19 109.43 1cr7 n GLY 158 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1cr7 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cr7 s ALA 159 N -2.54 3.40 -0.24 4.61 0.00 -0.90 -4.97 121.76 121.12 1cr7 s ALA 159 Ca 0.00 0.45 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1cr7 s ALA 159 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 1cr7 s ALA 159 CO 0.00 0.26 0.77 0.08 0.00 0.00 0.00 175.76 176.87 1cr7 s VAL 160 N -1.20 4.88 0.02 0.00 1.01 -1.26 -4.29 120.40 119.57 1cr7 s VAL 160 Ca 0.39 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1cr7 s VAL 160 Cb -0.24 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1cr7 s VAL 160 CO 0.28 -0.04 0.09 -0.69 0.00 0.00 0.00 175.10 174.74 1cr7 s VAL 161 N 2.70 4.74 -0.06 2.92 1.01 -0.59 -4.36 120.40 126.75 1cr7 s VAL 161 Ca 0.32 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1cr7 s VAL 161 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1cr7 s VAL 161 CO 0.08 0.28 -0.18 -0.54 0.00 0.00 0.00 175.10 174.73 1cr7 s LYS 162 N -1.97 2.11 0.04 2.72 1.02 -1.11 -1.85 119.74 120.70 1cr7 s LYS 162 Ca 0.25 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.64 1cr7 s LYS 162 Cb -0.12 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 1cr7 s LYS 162 CO 0.17 0.20 -0.14 0.08 -0.92 0.00 0.00 175.35 174.74 1cr7 s VAL 163 N 0.21 1.13 -0.04 3.17 1.01 -0.27 -0.23 120.40 125.38 1cr7 s VAL 163 Ca -0.09 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1cr7 s VAL 163 Cb -0.14 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1cr7 s VAL 163 CO 0.04 -0.00 -0.07 -0.89 0.00 0.00 0.00 175.10 174.18 1cr7 s THR 164 N -0.88 0.65 -0.03 3.92 2.01 -0.77 -1.78 115.64 118.76 1cr7 s THR 164 Ca 0.01 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1cr7 s THR 164 Cb -0.08 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1cr7 s THR 164 CO 0.01 0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.38 1cr7 s VAL 165 N 0.61 0.93 -0.07 3.82 1.01 0.21 -1.23 120.40 125.67 1cr7 s VAL 165 Ca -0.09 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1cr7 s VAL 165 Cb -0.12 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1cr7 s VAL 165 CO 0.01 0.28 -0.13 -0.63 0.00 0.00 0.00 175.10 174.63 1cr7 s ILE 166 N 0.19 1.19 -0.14 2.22 1.01 -0.21 -0.78 121.20 124.68 1cr7 s ILE 166 Ca -0.04 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1cr7 s ILE 166 Cb -0.09 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1cr7 s ILE 166 CO 0.01 0.37 -0.21 -0.47 0.00 0.00 0.00 174.94 174.64 1cr7 s TYR 167 N 0.68 2.62 -0.30 3.97 5.04 0.66 -0.21 117.35 129.81 1cr7 s TYR 167 Ca -0.14 -1.34 -0.06 0.00 -2.44 0.00 0.00 57.07 53.09 1cr7 s TYR 167 Cb -0.16 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.38 1cr7 s TYR 167 CO 0.04 -0.62 0.08 0.34 -1.34 0.00 0.00 175.55 174.04 1cr7 s ASP 168 N 0.87 5.11 0.20 4.32 2.15 -0.05 -1.46 116.67 127.82 1cr7 s ASP 168 Ca -0.06 -0.79 -0.10 0.00 0.43 0.00 0.00 52.55 52.03 1cr7 s ASP 168 Cb -0.15 -1.86 0.22 0.00 -0.30 0.00 0.00 42.92 40.82 1cr7 s ASP 168 CO -0.03 -0.21 1.80 0.77 -0.17 0.00 0.00 175.17 177.33 1cr7 h SER 169 N 8.22 0.48 -0.25 -0.34 4.64 -1.87 0.61 113.55 125.03 1cr7 h SER 169 Ca -0.30 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1cr7 h SER 169 Cb 1.12 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1cr7 h SER 169 CO 0.60 0.31 0.15 0.77 -0.87 0.00 0.00 176.83 177.79 1cr7 h SER 170 N 0.62 0.31 1.05 4.97 4.64 -1.94 -2.99 113.55 120.21 1cr7 h SER 170 Ca 0.28 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.46 1cr7 h SER 170 Cb 0.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1cr7 h SER 170 CO -0.18 0.29 -0.99 0.71 -0.87 0.00 0.00 176.83 175.78 1cr7 h THR 171 N 0.31 0.27 -2.15 2.95 1.35 -1.99 -3.47 112.91 110.18 1cr7 h THR 171 Ca 0.09 -1.48 -0.17 0.00 -0.55 0.00 0.00 66.41 64.30 1cr7 h THR 171 Cb 0.04 1.84 0.02 0.00 -1.73 0.00 0.00 68.15 68.32 1cr7 h THR 171 CO -0.02 0.15 -0.26 0.29 -0.25 0.00 0.00 175.52 175.44 1cr7 n LYS 172 N -2.86 -2.03 -3.58 4.72 5.02 0.21 -4.87 118.16 114.77 1cr7 n LYS 172 Ca -0.03 0.39 -0.37 0.00 -2.02 0.00 0.00 58.31 56.29 1cr7 n LYS 172 Cb 0.67 -4.18 -0.07 0.00 -0.02 0.00 0.00 35.03 31.43 1cr7 n LYS 172 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cr7 s THR 173 N -2.78 5.30 -0.25 -0.18 2.01 -1.02 -0.80 115.64 117.92 1cr7 s THR 173 Ca 0.12 0.53 -0.06 0.00 0.31 0.00 0.00 61.69 62.59 1cr7 s THR 173 Cb -0.05 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 1cr7 s THR 173 CO 0.15 0.44 0.02 -0.22 -0.69 0.00 0.00 174.62 174.33 1cr7 s LEU 174 N 0.10 3.31 0.01 4.42 2.96 0.14 -0.87 118.68 128.75 1cr7 s LEU 174 Ca 0.17 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 1cr7 s LEU 174 Cb -0.13 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1cr7 s LEU 174 CO 0.05 -0.07 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.34 1cr7 s SER 175 N 1.53 3.41 0.00 3.68 0.01 0.70 -1.07 113.70 121.96 1cr7 s SER 175 Ca 0.05 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.90 1cr7 s SER 175 Cb -0.15 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1cr7 s SER 175 CO 0.00 0.29 -0.10 -0.69 0.41 0.00 0.00 173.24 173.16 1cr7 s VAL 176 N -0.75 0.78 -0.13 3.43 1.01 0.24 -1.04 120.40 123.94 1cr7 s VAL 176 Ca 0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 1cr7 s VAL 176 Cb -0.10 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.64 1cr7 s VAL 176 CO 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 175.10 175.26 1cr7 s ALA 177 N -0.35 1.03 -0.26 5.51 0.00 -0.37 -2.12 121.76 125.20 1cr7 s ALA 177 Ca 0.03 -0.47 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 1cr7 s ALA 177 Cb -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 1cr7 s ALA 177 CO -0.00 -0.69 0.11 0.08 0.00 0.00 0.00 175.76 175.26 1cr7 s VAL 178 N 1.84 4.65 -0.46 0.00 1.01 0.16 -1.85 120.40 125.75 1cr7 s VAL 178 Ca 0.03 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 1cr7 s VAL 178 Cb -0.14 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.11 1cr7 s VAL 178 CO -0.07 0.32 0.41 -0.89 0.00 0.00 0.00 175.10 174.87 1cr7 s THR 179 N 1.60 5.18 0.88 3.92 2.01 0.68 -0.23 115.64 129.68 1cr7 s THR 179 Ca 0.06 -0.84 -0.12 0.00 0.31 0.00 0.00 61.69 61.10 1cr7 s THR 179 Cb -0.15 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.37 1cr7 s THR 179 CO 0.06 -0.55 1.10 0.20 -0.69 0.00 0.00 174.62 174.74 1cr7 s ASN 180 N 2.37 3.67 0.18 3.53 -0.87 -0.22 -2.75 114.94 120.84 1cr7 s ASN 180 Ca 0.06 1.29 -0.15 0.00 -1.57 0.00 0.00 52.86 52.50 1cr7 s ASN 180 Cb -0.22 -1.96 0.15 0.00 -0.02 0.00 0.00 41.25 39.20 1cr7 s ASN 180 CO 0.09 -2.49 1.69 -0.78 -2.57 0.00 0.00 177.10 173.04 1cr7 h ASP 181 N -1.45 -0.17 0.00 -1.22 3.58 -1.87 -1.72 116.42 113.57 1cr7 h ASP 181 Ca -0.50 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1cr7 h ASP 181 Cb 1.29 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.53 1cr7 h ASP 181 CO 0.58 -0.05 0.00 -0.46 -2.88 0.00 0.00 179.24 176.43 1cr7 n ASN 182 N -5.21 0.00 0.00 2.28 2.04 -1.26 -4.86 115.26 108.26 1cr7 n ASN 182 Ca 0.04 -0.73 0.00 0.00 -0.44 0.00 0.00 54.58 53.45 1cr7 n ASN 182 Cb 0.24 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 1cr7 n ASN 182 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cr7 n GLY 183 N 0.09 3.22 3.76 4.83 0.00 -0.64 -5.05 105.19 111.39 1cr7 n GLY 183 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1cr7 n GLY 183 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cr7 s ASP 184 N -1.09 5.28 0.09 1.61 -0.00 -1.26 -4.73 116.67 116.57 1cr7 s ASP 184 Ca 0.00 2.34 0.07 0.00 -0.00 0.00 0.00 52.55 54.96 1cr7 s ASP 184 Cb 0.00 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 1cr7 s ASP 184 CO 0.00 -1.53 -0.11 0.27 -0.00 0.00 0.00 175.17 173.80 1cr7 s ILE 185 N -1.65 3.28 -0.04 0.77 -4.36 -1.26 -1.05 121.20 116.88 1cr7 s ILE 185 Ca 0.76 -1.23 0.05 0.00 -0.26 0.00 0.00 60.65 59.98 1cr7 s ILE 185 Cb -0.29 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 40.91 1cr7 s ILE 185 CO 0.32 0.17 -0.20 -0.89 0.24 0.00 0.00 174.94 174.58 1cr7 s THR 186 N -1.15 1.65 0.35 8.37 2.01 0.68 -4.94 115.64 122.61 1cr7 s THR 186 Ca 0.20 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1cr7 s THR 186 Cb -0.11 -1.40 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 1cr7 s THR 186 CO 0.12 0.47 0.05 0.42 -0.69 0.00 0.00 174.62 174.98 1cr7 s THR 187 N -0.11 1.36 -0.28 -0.82 -4.23 -1.26 0.39 115.64 110.69 1cr7 s THR 187 Ca -0.02 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.24 1cr7 s THR 187 Cb -0.12 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.06 1cr7 s THR 187 CO 0.02 0.00 1.18 -0.51 -0.54 0.00 0.00 174.62 174.77 1cr7 s ILE 188 N -3.15 0.00 0.06 2.99 2.07 -0.90 -4.97 121.20 117.30 1cr7 s ILE 188 Ca 0.35 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.51 1cr7 s ILE 188 Cb 0.09 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.67 1cr7 s ILE 188 CO 0.16 0.00 0.16 0.00 -1.91 0.00 0.00 174.94 173.34 1cr7 s ALA 189 N 0.07 -0.17 -0.22 1.50 0.00 -1.26 -0.59 121.76 121.08 1cr7 s ALA 189 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 1cr7 s ALA 189 Cb -0.05 0.37 0.10 0.00 0.00 0.00 0.00 23.12 23.54 1cr7 s ALA 189 CO -0.09 -0.42 0.88 -1.14 0.00 0.00 0.00 175.76 174.99 1cr7 s GLN 190 N -3.28 0.71 -0.35 0.00 2.00 -0.23 -4.99 119.66 113.52 1cr7 s GLN 190 Ca 0.01 0.58 -0.26 0.00 -2.00 0.00 0.00 55.36 53.68 1cr7 s GLN 190 Cb 0.02 0.34 0.01 0.00 0.80 0.00 0.00 33.01 34.19 1cr7 s GLN 190 CO -0.08 -0.14 0.95 0.08 -0.50 0.00 0.00 175.29 175.61 1cr7 s VAL 191 N -0.19 4.58 -0.17 1.34 1.01 -1.26 -0.68 120.40 125.03 1cr7 s VAL 191 Ca -0.01 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1cr7 s VAL 191 Cb -0.03 -4.34 0.05 0.00 0.00 0.00 0.00 36.38 32.06 1cr7 s VAL 191 CO -0.00 -0.49 -0.03 -0.69 0.00 0.00 0.00 175.10 173.89 1cr7 s VAL 192 N 3.47 0.95 -0.94 2.92 1.01 0.02 -4.99 120.40 122.84 1cr7 s VAL 192 Ca 0.40 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 1cr7 s VAL 192 Cb -0.12 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.08 1cr7 s VAL 192 CO 0.17 0.03 1.42 -0.62 0.00 0.00 0.00 175.10 176.09 1cr7 s ASP 193 N 1.69 6.39 0.40 3.32 3.68 -1.26 -4.70 116.67 126.18 1cr7 s ASP 193 Ca -0.00 -1.17 0.11 0.00 2.13 0.00 0.00 52.55 53.62 1cr7 s ASP 193 Cb -0.16 -2.57 0.92 0.00 -1.45 0.00 0.00 42.92 39.67 1cr7 s ASP 193 CO -0.07 -1.62 1.95 -0.07 0.13 0.00 0.00 175.17 175.49 1cr7 h LEU 194 N 12.95 0.49 0.00 -1.34 3.38 -1.98 -1.39 115.31 127.43 1cr7 h LEU 194 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1cr7 h LEU 194 Cb 1.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1cr7 h LEU 194 CO 1.39 0.29 0.00 1.17 0.09 0.00 0.00 178.44 181.38 1cr7 n LYS 195 N -4.48 0.32 -0.01 1.13 4.81 -1.26 -2.06 118.16 116.60 1cr7 n LYS 195 Ca 0.11 0.10 0.01 0.00 -0.87 0.00 0.00 58.31 57.66 1cr7 n LYS 195 Cb 0.36 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.93 1cr7 n LYS 195 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cr7 n ALA 196 N -1.22 2.36 0.00 3.14 0.00 -0.53 -4.68 120.51 119.58 1cr7 n ALA 196 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1cr7 n ALA 196 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1cr7 n ALA 196 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cr7 n LYS 197 N 0.05 3.79 -4.08 0.00 4.76 -0.87 -5.08 118.16 116.73 1cr7 n LYS 197 Ca 0.02 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 1cr7 n LYS 197 Cb 0.14 -0.62 -0.10 0.00 -1.84 0.00 0.00 35.03 32.61 1cr7 n LYS 197 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1cr7 s LEU 198 N -1.98 2.41 1.05 -0.35 1.43 -1.03 -4.84 118.68 115.37 1cr7 s LEU 198 Ca 0.00 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.13 1cr7 s LEU 198 Cb 0.00 0.09 0.22 0.00 0.03 0.00 0.00 46.19 46.52 1cr7 s LEU 198 CO 0.00 -0.47 1.08 -2.16 0.23 0.00 0.00 176.35 175.04 1cr7 s PRO 199 N -3.12 0.03 0.54 1.29 0.04 -1.26 -4.77 135.00 127.75 1cr7 s PRO 199 Ca 0.01 0.48 0.28 0.00 0.04 0.00 0.00 61.00 61.81 1cr7 s PRO 199 Cb 0.02 -1.69 1.44 0.00 0.04 0.00 0.00 34.50 34.31 1cr7 s PRO 199 CO -0.06 -3.00 1.95 0.93 0.04 0.00 0.00 177.00 176.86 1cr7 h GLU 200 N -2.08 0.00 -4.95 4.56 5.08 -1.96 -3.40 114.58 111.82 1cr7 h GLU 200 Ca -0.55 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.27 1cr7 h GLU 200 Cb 1.33 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.26 1cr7 h GLU 200 CO 0.55 0.00 -0.82 1.03 -1.00 0.00 0.00 179.01 178.77 1cr7 s ARG 201 N -4.96 1.71 0.32 2.33 0.52 -1.26 -1.42 118.95 116.19 1cr7 s ARG 201 Ca -0.05 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 54.71 1cr7 s ARG 201 Cb 0.20 -1.45 -0.03 0.00 0.52 0.00 0.00 34.95 34.19 1cr7 s ARG 201 CO 0.73 0.15 0.25 0.14 0.02 0.00 0.00 175.30 176.59 1cr7 s VAL 202 N 0.28 0.05 0.07 3.52 -7.23 0.03 -3.58 120.40 113.55 1cr7 s VAL 202 Ca -0.08 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1cr7 s VAL 202 Cb -0.13 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1cr7 s VAL 202 CO 0.03 0.00 -0.24 -0.54 -0.31 0.00 0.00 175.10 174.04 1cr7 s LYS 203 N -3.53 1.51 -0.08 4.82 1.02 0.06 -0.52 119.74 123.01 1cr7 s LYS 203 Ca 0.39 -1.11 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 1cr7 s LYS 203 Cb 0.03 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.56 1cr7 s LYS 203 CO 0.25 0.44 -0.01 -0.06 -0.92 0.00 0.00 175.35 175.05 1cr7 s PHE 204 N -0.90 3.14 0.11 3.18 0.40 -1.26 -1.56 117.98 121.08 1cr7 s PHE 204 Ca 0.10 0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.52 1cr7 s PHE 204 Cb -0.10 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.69 1cr7 s PHE 204 CO 0.03 0.46 0.43 0.41 0.70 0.00 0.00 175.22 177.24 1cr7 n GLY 205 N 2.15 1.15 3.29 4.36 0.00 -0.61 -1.35 105.19 114.18 1cr7 n GLY 205 Ca -0.19 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 1cr7 n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cr7 s PHE 206 N -4.76 1.80 -0.04 1.61 0.40 -0.29 -0.73 117.98 115.97 1cr7 s PHE 206 Ca 0.09 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1cr7 s PHE 206 Cb -0.01 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.56 1cr7 s PHE 206 CO 0.03 0.22 0.28 0.45 0.70 0.00 0.00 175.22 176.91 1cr7 s SER 207 N -2.01 -0.20 0.02 1.36 0.15 -0.72 -0.60 113.70 111.71 1cr7 s SER 207 Ca 0.08 0.20 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1cr7 s SER 207 Cb -0.09 0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1cr7 s SER 207 CO 0.05 -0.33 0.06 0.00 1.20 0.00 0.00 173.24 174.21 1cr7 s ALA 208 N -0.90 -0.07 0.04 5.45 0.00 -0.64 -1.71 121.76 123.93 1cr7 s ALA 208 Ca -0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1cr7 s ALA 208 Cb -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1cr7 s ALA 208 CO 0.03 -0.23 0.07 -1.54 0.00 0.00 0.00 175.76 174.08 1cr7 s SER 209 N -1.68 0.23 0.48 0.00 1.04 -1.25 -2.47 113.70 110.06 1cr7 s SER 209 Ca -0.12 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.72 1cr7 s SER 209 Cb -0.06 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1cr7 s SER 209 CO -0.01 -0.51 0.06 -0.83 0.98 0.00 0.00 173.24 172.92 1cr7 s GLY 210 N -2.23 2.93 0.00 7.32 0.00 -0.22 -0.60 107.32 114.52 1cr7 s GLY 210 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1cr7 s GLY 210 CO -0.05 -2.06 0.00 -1.14 0.00 0.00 0.00 173.10 169.85 1cr7 n SER 211 N -1.35 0.55 0.22 1.64 3.41 -0.17 0.04 113.62 117.95 1cr7 n SER 211 Ca -0.15 -0.21 -0.15 0.00 -0.26 0.00 0.00 58.87 58.10 1cr7 n SER 211 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1cr7 n SER 211 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1cr7 h LEU 212 N 0.00 -0.45 0.00 1.04 6.46 -1.92 -3.10 115.31 117.34 1cr7 h LEU 212 Ca 0.00 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1cr7 h LEU 212 Cb 0.00 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1cr7 h LEU 212 CO 0.00 -0.18 -1.99 0.61 -0.62 0.00 0.00 178.44 176.26 1cr7 n GLY 213 N -0.79 -0.96 3.48 3.75 0.00 -1.26 -4.86 105.19 104.56 1cr7 n GLY 213 Ca -0.11 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1cr7 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cr7 s GLY 214 N -4.49 1.60 -0.02 -0.02 0.00 -1.26 -2.24 107.32 100.89 1cr7 s GLY 214 Ca -0.08 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.13 1cr7 s GLY 214 CO 0.87 1.75 0.05 0.50 0.00 0.00 0.00 173.10 176.26 1cr7 s ARG 215 N 3.26 0.11 0.16 2.90 0.52 -0.84 -1.00 118.95 124.06 1cr7 s ARG 215 Ca 0.22 -0.01 -0.22 0.00 -0.52 0.00 0.00 55.73 55.20 1cr7 s ARG 215 Cb -0.16 0.05 0.07 0.00 0.52 0.00 0.00 34.95 35.42 1cr7 s ARG 215 CO 0.15 -0.02 0.58 1.14 0.02 0.00 0.00 175.30 177.18 1cr7 s GLN 216 N -0.18 1.27 -0.00 3.54 -2.07 -1.23 -4.53 119.66 116.46 1cr7 s GLN 216 Ca -0.02 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 52.72 1cr7 s GLN 216 Cb -0.02 0.58 -0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1cr7 s GLN 216 CO 0.00 -0.55 1.25 0.42 -1.32 0.00 0.00 175.29 175.09 1cr7 s ILE 217 N -3.76 4.02 -0.22 3.63 1.01 -0.69 -4.83 121.20 120.36 1cr7 s ILE 217 Ca 0.01 1.41 0.01 0.00 0.00 0.00 0.00 60.65 62.08 1cr7 s ILE 217 Cb -0.01 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1cr7 s ILE 217 CO -0.13 0.04 -0.08 -1.00 0.00 0.00 0.00 174.94 173.77 1cr7 s HIS 218 N 1.86 2.50 -0.06 3.97 3.76 -1.26 -1.82 115.29 124.24 1cr7 s HIS 218 Ca 0.59 -1.75 0.05 0.00 -0.15 0.00 0.00 55.06 53.79 1cr7 s HIS 218 Cb -0.28 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 1cr7 s HIS 218 CO 0.26 -0.77 -0.21 -0.51 -0.85 0.00 0.00 174.74 172.65 1cr7 s LEU 219 N 1.36 2.29 -0.25 0.89 1.43 -0.32 -1.47 118.68 122.62 1cr7 s LEU 219 Ca -0.04 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1cr7 s LEU 219 Cb -0.18 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1cr7 s LEU 219 CO -0.07 0.26 0.09 -0.63 0.23 0.00 0.00 176.35 176.23 1cr7 s ILE 220 N -0.25 4.49 -0.15 -0.59 -1.09 -0.45 -1.18 121.20 121.99 1cr7 s ILE 220 Ca -0.00 -0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.29 1cr7 s ILE 220 Cb -0.13 -3.11 -0.24 0.00 -1.58 0.00 0.00 42.46 37.41 1cr7 s ILE 220 CO 0.03 0.32 0.23 0.54 -1.23 0.00 0.00 174.94 174.83 1cr7 n ARG 221 N 4.93 0.72 -3.44 2.79 1.74 0.12 -2.13 116.66 121.39 1cr7 n ARG 221 Ca -0.16 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1cr7 n ARG 221 Cb 0.52 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 1cr7 n ARG 221 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1cr7 s SER 222 N -6.78 -0.57 -0.24 0.55 1.04 -1.15 -4.46 113.70 102.10 1cr7 s SER 222 Ca -0.24 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.18 1cr7 s SER 222 Cb 0.07 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.84 1cr7 s SER 222 CO 0.73 -0.89 0.59 0.86 0.98 0.00 0.00 173.24 175.52 1cr7 s TRP 223 N -3.26 -0.89 0.07 5.02 -0.00 -0.58 -2.12 118.94 117.18 1cr7 s TRP 223 Ca -0.01 1.82 0.05 0.00 -0.00 0.00 0.00 56.10 57.96 1cr7 s TRP 223 Cb -0.01 0.48 -0.03 0.00 -0.00 0.00 0.00 33.47 33.92 1cr7 s TRP 223 CO -0.09 -0.45 -0.14 -1.54 -0.00 0.00 0.00 176.95 174.73 1cr7 s SER 224 N 1.45 1.61 -0.20 5.86 1.04 -0.71 -0.09 113.70 122.66 1cr7 s SER 224 Ca -0.09 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.50 1cr7 s SER 224 Cb -0.06 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.08 1cr7 s SER 224 CO -0.16 -0.09 0.63 0.12 0.98 0.00 0.00 173.24 174.72 1cr7 s PHE 225 N -1.30 -0.67 -0.10 5.02 5.36 -0.08 -2.48 117.98 123.74 1cr7 s PHE 225 Ca -0.03 1.55 -0.06 0.00 -0.96 0.00 0.00 56.93 57.44 1cr7 s PHE 225 Cb -0.10 0.26 0.04 0.00 -0.34 0.00 0.00 43.02 42.88 1cr7 s PHE 225 CO 0.02 -0.38 0.24 0.99 -1.46 0.00 0.00 175.22 174.64 1cr7 s THR 226 N 0.04 -0.03 0.11 0.12 2.01 0.00 -1.03 115.64 116.87 1cr7 s THR 226 Ca -0.02 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1cr7 s THR 226 Cb -0.04 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 1cr7 s THR 226 CO 0.02 0.05 -0.13 -0.94 -0.69 0.00 0.00 174.62 172.93 1cr7 s SER 227 N 1.00 1.86 -0.12 3.53 1.04 -0.16 -0.80 113.70 120.06 1cr7 s SER 227 Ca -0.07 -0.79 -0.06 0.00 0.48 0.00 0.00 55.95 55.51 1cr7 s SER 227 Cb -0.08 -0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.04 1cr7 s SER 227 CO -0.06 -0.16 0.28 -0.89 0.98 0.00 0.00 173.24 173.39 1cr7 s THR 228 N -2.12 -0.10 -0.15 2.02 2.01 -0.72 -1.94 115.64 114.64 1cr7 s THR 228 Ca 0.07 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1cr7 s THR 228 Cb -0.05 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1cr7 s THR 228 CO 0.02 0.06 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.59 1cr7 s LEU 229 N 1.47 2.18 0.03 4.42 2.96 -0.05 -2.19 118.68 127.51 1cr7 s LEU 229 Ca -0.08 -0.58 -0.30 0.00 -0.22 0.00 0.00 54.13 52.95 1cr7 s LEU 229 Cb -0.10 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.07 1cr7 s LEU 229 CO -0.09 0.07 1.17 -0.63 -1.32 0.00 0.00 176.35 175.55 1cr7 s ILE 230 N 0.86 4.17 -0.92 6.68 1.09 -1.26 -0.93 121.20 130.89 1cr7 s ILE 230 Ca -0.06 1.55 0.00 0.00 -1.10 0.00 0.00 60.65 61.05 1cr7 s ILE 230 Cb -0.15 -3.99 0.31 0.00 -1.06 0.00 0.00 42.46 37.56 1cr7 s ILE 230 CO -0.03 0.10 1.44 0.35 -0.10 0.00 0.00 174.94 176.70 1cr7 n THR 231 N 4.05 4.89 0.00 2.92 -2.24 -1.26 -4.84 114.28 117.80 1cr7 n THR 231 Ca 0.09 -5.81 0.00 0.00 -2.27 0.00 0.00 64.05 56.06 1cr7 n THR 231 Cb 0.47 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1cr7 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57