#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 3.05 -0.08 0.00 2.12 0.51 -4.91 118.70 119.38 1cr7 s GLU 2 Ca 0.00 -0.86 0.03 0.00 0.36 0.00 0.00 54.97 54.50 1cr7 s GLU 2 Cb 0.00 -3.97 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 1cr7 s GLU 2 CO 0.00 -0.82 -0.17 0.99 -0.54 0.00 0.00 175.26 174.72 1cr7 s THR 3 N 1.98 2.77 -0.15 -1.70 2.01 -1.26 -0.81 115.64 118.47 1cr7 s THR 3 Ca 0.10 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1cr7 s THR 3 Cb -0.18 -2.10 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1cr7 s THR 3 CO 0.12 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.75 1cr7 s VAL 4 N -0.15 1.76 -0.03 3.82 1.01 -0.69 -4.97 120.40 121.15 1cr7 s VAL 4 Ca -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1cr7 s VAL 4 Cb -0.14 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1cr7 s VAL 4 CO 0.04 0.49 0.09 -0.94 0.00 0.00 0.00 175.10 174.77 1cr7 s SER 5 N 1.23 -0.08 0.08 3.32 1.04 -1.26 -0.60 113.70 117.42 1cr7 s SER 5 Ca 0.01 0.15 -0.16 0.00 0.48 0.00 0.00 55.95 56.43 1cr7 s SER 5 Cb -0.14 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1cr7 s SER 5 CO -0.08 -0.04 0.38 0.72 0.98 0.00 0.00 173.24 175.19 1cr7 s PHE 6 N -0.02 -0.19 -0.16 5.02 -0.12 -0.27 -5.00 117.98 117.23 1cr7 s PHE 6 Ca -0.01 0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 56.84 1cr7 s PHE 6 Cb -0.01 0.20 0.08 0.00 -0.63 0.00 0.00 43.02 42.66 1cr7 s PHE 6 CO 0.00 -0.61 0.25 1.21 -0.05 0.00 0.00 175.22 176.03 1cr7 s ASN 7 N -2.37 0.71 -0.28 1.98 2.47 -1.26 -1.32 114.94 114.86 1cr7 s ASN 7 Ca -0.01 0.27 -0.05 0.00 0.42 0.00 0.00 52.86 53.49 1cr7 s ASN 7 Cb 0.01 0.61 0.02 0.00 -1.45 0.00 0.00 41.25 40.44 1cr7 s ASN 7 CO -0.07 -0.27 0.04 -0.36 -3.72 0.00 0.00 177.10 172.72 1cr7 s PHE 8 N 2.39 3.14 -1.69 0.43 2.99 -0.34 -4.93 117.98 119.97 1cr7 s PHE 8 Ca 0.04 -1.20 0.25 0.00 0.00 0.00 0.00 56.93 56.03 1cr7 s PHE 8 Cb -0.14 -2.19 0.58 0.00 0.00 0.00 0.00 43.02 41.27 1cr7 s PHE 8 CO -0.10 -0.64 1.45 0.09 -0.00 0.00 0.00 175.22 176.03 1cr7 n ASN 9 N 4.80 1.12 -3.61 1.36 3.02 -1.26 -1.68 115.26 119.00 1cr7 n ASN 9 Ca -0.15 -0.92 -0.04 0.00 -0.03 0.00 0.00 54.58 53.44 1cr7 n ASN 9 Cb 0.47 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.84 1cr7 n ASN 9 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1cr7 s SER 10 N -2.57 -0.13 0.30 6.41 1.04 -1.26 -4.82 113.70 112.67 1cr7 s SER 10 Ca 0.21 0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.81 1cr7 s SER 10 Cb 0.19 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 1cr7 s SER 10 CO 0.56 -0.18 -0.04 -0.36 0.98 0.00 0.00 173.24 174.21 1cr7 s PHE 11 N -1.82 2.55 -0.14 5.02 0.40 -0.01 -5.04 117.98 118.94 1cr7 s PHE 11 Ca 0.08 -0.33 -0.10 0.00 -0.60 0.00 0.00 56.93 55.98 1cr7 s PHE 11 Cb -0.01 -1.27 0.04 0.00 0.51 0.00 0.00 43.02 42.30 1cr7 s PHE 11 CO -0.05 0.58 0.36 -1.54 0.70 0.00 0.00 175.22 175.27 1cr7 s SER 12 N -3.66 -0.40 0.64 1.36 1.04 -1.26 -4.25 113.70 107.16 1cr7 s SER 12 Ca 0.32 0.75 -0.18 0.00 0.48 0.00 0.00 55.95 57.32 1cr7 s SER 12 Cb -0.04 0.69 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1cr7 s SER 12 CO 0.19 -0.15 1.29 -1.61 0.98 0.00 0.00 173.24 173.94 1cr7 s GLU 13 N 0.77 2.60 0.00 4.02 2.02 -1.26 -2.40 118.70 124.45 1cr7 s GLU 13 Ca -0.05 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.00 1cr7 s GLU 13 Cb -0.06 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.31 1cr7 s GLU 13 CO -0.05 -1.56 0.00 0.41 0.02 0.00 0.00 175.26 174.07 1cr7 n GLY 14 N 0.87 2.92 3.50 -1.39 0.00 -1.26 -4.99 105.19 104.84 1cr7 n GLY 14 Ca 0.16 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 1cr7 n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cr7 n ASN 15 N 0.34 2.27 0.00 1.61 4.05 -1.01 -4.77 115.26 117.75 1cr7 n ASN 15 Ca 0.00 0.17 0.02 0.00 0.45 0.00 0.00 54.58 55.22 1cr7 n ASN 15 Cb 0.00 -1.36 0.10 0.00 1.23 0.00 0.00 39.78 39.75 1cr7 n ASN 15 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1cr7 n PRO 16 N 8.50 0.05 0.02 1.20 -0.04 -1.26 -2.08 135.00 141.39 1cr7 n PRO 16 Ca 0.40 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 1cr7 n PRO 16 Cb 0.32 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.30 2.54 -2.64 0.55 0.00 -1.26 -4.72 120.51 113.69 1cr7 n ALA 17 Ca 0.02 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 1cr7 n ALA 17 Cb 0.03 -1.40 -0.14 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 -3.02 1.09 -0.14 0.00 1.01 -0.88 0.12 121.20 119.38 1cr7 s ILE 18 Ca 0.13 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1cr7 s ILE 18 Cb 0.18 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 1cr7 s ILE 18 CO 0.57 0.06 -0.10 0.20 0.00 0.00 0.00 174.94 175.67 1cr7 s ASN 19 N -0.98 4.30 -0.16 3.58 0.02 0.24 -4.77 114.94 117.17 1cr7 s ASN 19 Ca 0.02 -0.25 -0.07 0.00 -1.02 0.00 0.00 52.86 51.53 1cr7 s ASN 19 Cb -0.07 -1.68 -0.04 0.00 0.02 0.00 0.00 41.25 39.48 1cr7 s ASN 19 CO 0.01 0.16 0.09 -0.36 0.02 0.00 0.00 177.10 177.03 1cr7 s PHE 20 N 0.37 3.37 -0.03 2.20 0.40 -1.26 -1.62 117.98 121.40 1cr7 s PHE 20 Ca -0.08 0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 1cr7 s PHE 20 Cb -0.15 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1cr7 s PHE 20 CO 0.05 0.37 -0.10 -0.65 0.70 0.00 0.00 175.22 175.58 1cr7 s GLN 21 N -0.10 1.12 2.76 0.44 -0.21 0.13 -5.02 119.66 118.77 1cr7 s GLN 21 Ca 0.08 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.14 1cr7 s GLN 21 Cb -0.12 -1.02 0.00 0.00 1.00 0.00 0.00 33.01 32.87 1cr7 s GLN 21 CO 0.01 0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.68 1cr7 n GLY 22 N 3.43 -0.51 0.90 3.09 0.00 -1.26 -0.58 105.19 110.26 1cr7 n GLY 22 Ca -0.20 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.21 1.55 -4.77 1.61 10.43 -0.04 -4.87 116.55 120.27 1cr7 n ASP 23 Ca 0.00 -1.19 -0.39 0.00 2.57 0.00 0.00 54.79 55.77 1cr7 n ASP 23 Cb 0.00 -0.30 -0.02 0.00 1.84 0.00 0.00 41.12 42.65 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 0.12 2.90 -0.07 2.53 1.01 -1.25 -4.23 120.40 121.43 1cr7 s VAL 24 Ca 0.00 0.81 -0.09 0.00 0.00 0.00 0.00 61.98 62.70 1cr7 s VAL 24 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.92 1cr7 s VAL 24 CO 0.00 0.12 0.24 0.28 0.00 0.00 0.00 175.10 175.74 1cr7 s THR 25 N -1.29 0.02 -0.27 3.92 -1.32 -0.82 -5.00 115.64 110.87 1cr7 s THR 25 Ca 0.55 -0.18 -0.09 0.00 -1.21 0.00 0.00 61.69 60.75 1cr7 s THR 25 Cb -0.35 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 1cr7 s THR 25 CO 0.45 -0.10 0.14 -0.69 -2.21 0.00 0.00 174.62 172.21 1cr7 s VAL 26 N -0.32 4.81 1.01 5.08 1.01 -1.26 -0.29 120.40 130.43 1cr7 s VAL 26 Ca -0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1cr7 s VAL 26 Cb -0.03 -3.30 0.19 0.00 0.00 0.00 0.00 36.38 33.24 1cr7 s VAL 26 CO 0.01 0.26 1.13 -0.76 0.00 0.00 0.00 175.10 175.74 1cr7 s LEU 27 N 1.68 1.63 0.56 3.92 1.43 -0.22 -4.92 118.68 122.77 1cr7 s LEU 27 Ca 0.06 0.91 0.24 0.00 -1.03 0.00 0.00 54.13 54.32 1cr7 s LEU 27 Cb -0.16 -3.04 1.60 0.00 0.03 0.00 0.00 46.19 44.63 1cr7 s LEU 27 CO 0.07 -3.10 2.21 0.77 0.23 0.00 0.00 176.35 176.54 1cr7 h SER 28 N -1.87 0.00 -0.53 2.29 4.64 -1.99 -2.33 113.55 113.75 1cr7 h SER 28 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 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 0.53 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.04 1cr7 n ASN 29 N -4.12 3.01 0.00 4.97 2.04 -1.26 -4.92 115.26 114.99 1cr7 n ASN 29 Ca -0.03 -2.05 0.00 0.00 -0.44 0.00 0.00 54.58 52.06 1cr7 n ASN 29 Cb 0.09 -0.38 0.00 0.00 -2.53 0.00 0.00 39.78 36.95 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 1.29 3.77 4.83 0.00 -0.88 -4.79 105.19 110.71 1cr7 n GLY 30 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.06 6.25 -0.14 1.61 0.02 -1.26 -0.83 114.94 117.53 1cr7 s ASN 31 Ca 0.00 2.30 -0.10 0.00 -1.02 0.00 0.00 52.86 54.04 1cr7 s ASN 31 Cb 0.00 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.62 1cr7 s ASN 31 CO 0.00 -0.86 0.19 -0.63 0.02 0.00 0.00 177.10 175.82 1cr7 s ILE 32 N -1.54 5.39 -0.23 0.60 1.01 -0.79 -1.05 121.20 124.60 1cr7 s ILE 32 Ca 0.62 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 1cr7 s ILE 32 Cb -0.28 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1cr7 s ILE 32 CO 0.35 0.52 -0.05 -1.58 0.00 0.00 0.00 174.94 174.18 1cr7 s GLN 33 N -0.39 3.20 0.02 2.79 0.74 0.60 -1.26 119.66 125.35 1cr7 s GLN 33 Ca 0.14 -0.74 -0.20 0.00 0.05 0.00 0.00 55.36 54.61 1cr7 s GLN 33 Cb -0.12 -2.98 -0.18 0.00 1.10 0.00 0.00 33.01 30.82 1cr7 s GLN 33 CO 0.03 -0.26 1.22 -0.07 -0.55 0.00 0.00 175.29 175.66 1cr7 h LEU 34 N 8.08 0.44 -9.60 3.68 3.38 -1.17 -2.19 115.31 117.93 1cr7 h LEU 34 Ca -0.39 -0.62 -0.55 0.00 0.09 0.00 0.00 57.88 56.41 1cr7 h LEU 34 Cb 1.14 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1cr7 h LEU 34 CO 0.60 0.98 -0.63 0.42 0.09 0.00 0.00 178.44 179.91 1cr7 s THR 35 N -3.75 3.59 -0.24 0.22 -4.23 -1.26 -3.22 115.64 106.74 1cr7 s THR 35 Ca -0.14 -1.84 -0.15 0.00 -1.18 0.00 0.00 61.69 58.38 1cr7 s THR 35 Cb 0.04 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1cr7 s THR 35 CO 0.78 -0.37 0.36 0.21 -0.54 0.00 0.00 174.62 175.06 1cr7 s ASN 36 N -3.70 6.31 0.22 3.99 3.84 -1.26 -4.89 114.94 119.45 1cr7 s ASN 36 Ca 0.32 0.35 0.22 0.00 0.21 0.00 0.00 52.86 53.96 1cr7 s ASN 36 Cb -0.07 -2.21 0.92 0.00 -0.55 0.00 0.00 41.25 39.35 1cr7 s ASN 36 CO 0.21 -0.13 1.66 0.18 -2.79 0.00 0.00 177.10 176.23 1cr7 n LEU 37 N 4.95 0.55 -0.52 3.21 4.32 -1.26 -3.01 117.00 125.24 1cr7 n LEU 37 Ca -0.09 0.64 0.09 0.00 -0.02 0.00 0.00 56.01 56.64 1cr7 n LEU 37 Cb 0.51 -0.58 0.02 0.00 -1.62 0.00 0.00 43.42 41.75 1cr7 n LEU 37 CO 0.38 -0.54 0.36 0.59 -1.22 0.00 0.00 177.39 176.96 1cr7 n ASN 38 N -2.12 2.02 -4.92 -1.43 3.02 -1.26 -4.96 115.26 105.61 1cr7 n ASN 38 Ca 0.02 -1.51 -0.31 0.00 -0.03 0.00 0.00 54.58 52.75 1cr7 n ASN 38 Cb 0.21 0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.98 3.45 0.01 3.52 1.02 -1.16 -5.09 119.74 119.50 1cr7 s LYS 39 Ca 0.17 -0.42 -0.19 0.00 0.02 0.00 0.00 55.97 55.55 1cr7 s LYS 39 Cb 0.15 -3.03 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1cr7 s LYS 39 CO 0.41 0.60 0.56 0.08 -0.92 0.00 0.00 175.35 176.07 1cr7 s VAL 40 N -1.52 4.90 -1.29 3.17 1.01 -1.26 -4.16 120.40 121.24 1cr7 s VAL 40 Ca 0.35 1.17 -0.00 0.00 0.00 0.00 0.00 61.98 63.50 1cr7 s VAL 40 Cb -0.13 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1cr7 s VAL 40 CO 0.28 0.47 0.73 0.59 0.00 0.00 0.00 175.10 177.17 1cr7 n ASN 41 N 2.43 -1.28 -4.77 3.32 5.03 -0.47 -4.93 115.26 114.59 1cr7 n ASN 41 Ca -0.09 -0.80 -0.37 0.00 0.87 0.00 0.00 54.58 54.20 1cr7 n ASN 41 Cb 0.51 -4.19 -0.02 0.00 -1.02 0.00 0.00 39.78 35.07 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 -4.36 6.35 -0.07 6.41 0.15 -1.21 -4.40 113.70 116.57 1cr7 s SER 42 Ca 0.00 2.26 -0.03 0.00 0.70 0.00 0.00 55.95 58.89 1cr7 s SER 42 Cb -0.00 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1cr7 s SER 42 CO 0.80 -0.79 0.15 -0.69 1.20 0.00 0.00 173.24 173.91 1cr7 s VAL 43 N -1.54 -0.11 -0.04 4.45 1.01 -1.26 -2.18 120.40 120.73 1cr7 s VAL 43 Ca 0.61 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1cr7 s VAL 43 Cb -0.28 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1cr7 s VAL 43 CO 0.34 0.10 0.01 -0.83 0.00 0.00 0.00 175.10 174.71 1cr7 s GLY 44 N 1.50 0.28 -0.05 4.51 0.00 -0.99 -0.86 107.32 111.71 1cr7 s GLY 44 Ca -0.06 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.80 1cr7 s GLY 44 CO -0.06 0.76 -0.06 0.50 0.00 0.00 0.00 173.10 174.24 1cr7 s ARG 45 N 1.28 1.01 -0.08 2.90 0.52 0.25 -2.40 118.95 122.43 1cr7 s ARG 45 Ca -0.06 -0.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1cr7 s ARG 45 Cb -0.13 -0.94 -0.03 0.00 0.52 0.00 0.00 34.95 34.37 1cr7 s ARG 45 CO -0.02 -0.04 -0.09 0.54 0.02 0.00 0.00 175.30 175.71 1cr7 s VAL 46 N 0.78 3.53 0.06 3.52 0.11 -0.80 -0.70 120.40 126.90 1cr7 s VAL 46 Ca -0.12 -0.53 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1cr7 s VAL 46 Cb -0.14 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.23 1cr7 s VAL 46 CO 0.01 0.58 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.53 1cr7 s LEU 47 N -0.54 2.34 0.05 2.54 1.43 -0.64 -1.50 118.68 122.36 1cr7 s LEU 47 Ca 0.08 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1cr7 s LEU 47 Cb -0.12 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1cr7 s LEU 47 CO 0.02 -0.31 1.05 -0.47 0.23 0.00 0.00 176.35 176.87 1cr7 s TYR 48 N -2.16 3.61 0.19 0.29 5.04 -0.64 -0.59 117.35 123.09 1cr7 s TYR 48 Ca -0.03 1.59 -0.10 0.00 -2.44 0.00 0.00 57.07 56.08 1cr7 s TYR 48 Cb -0.05 -3.21 0.12 0.00 0.35 0.00 0.00 41.96 39.17 1cr7 s TYR 48 CO -0.02 -0.41 1.77 0.00 -1.34 0.00 0.00 175.55 175.55 1cr7 h ALA 49 N 6.51 0.90 -2.55 3.97 0.00 -0.60 -3.43 119.26 124.06 1cr7 h ALA 49 Ca -0.42 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 53.78 1cr7 h ALA 49 Cb 1.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1cr7 h ALA 49 CO 0.76 0.48 0.23 1.41 0.00 0.00 0.00 179.25 182.14 1cr7 s MET 50 N -5.65 4.48 0.28 0.00 -2.45 -1.26 -5.01 119.30 109.68 1cr7 s MET 50 Ca -0.13 1.12 -0.29 0.00 -1.25 0.00 0.00 55.69 55.14 1cr7 s MET 50 Cb 0.14 -3.46 -0.10 0.00 1.25 0.00 0.00 34.83 32.66 1cr7 s MET 50 CO 0.81 -0.02 1.27 -1.25 1.05 0.00 0.00 175.02 176.88 1cr7 s PRO 51 N 1.00 4.42 -0.19 4.11 0.04 -1.26 -4.88 135.00 138.24 1cr7 s PRO 51 Ca 0.44 2.09 -0.06 0.00 0.04 0.00 0.00 61.00 63.51 1cr7 s PRO 51 Cb -0.19 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 1cr7 s PRO 51 CO 0.22 -0.14 0.03 0.08 0.04 0.00 0.00 177.00 177.23 1cr7 s VAL 52 N -0.73 4.36 -0.58 -0.36 1.01 0.07 -4.92 120.40 119.26 1cr7 s VAL 52 Ca 0.51 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 1cr7 s VAL 52 Cb -0.37 -2.96 0.04 0.00 0.00 0.00 0.00 36.38 33.08 1cr7 s VAL 52 CO 0.46 0.45 1.08 -0.60 0.00 0.00 0.00 175.10 176.49 1cr7 s ARG 53 N 0.64 3.40 0.28 2.72 3.52 -1.26 -0.86 118.95 127.39 1cr7 s ARG 53 Ca 0.01 -0.04 0.24 0.00 -0.13 0.00 0.00 55.73 55.81 1cr7 s ARG 53 Cb -0.14 -4.05 0.37 0.00 -1.56 0.00 0.00 34.95 29.58 1cr7 s ARG 53 CO 0.02 -1.63 1.47 -0.84 -0.81 0.00 0.00 175.30 173.51 1cr7 h ILE 54 N 6.08 0.00 -2.60 4.11 3.07 -0.78 -3.46 117.51 123.94 1cr7 h ILE 54 Ca -0.26 -0.78 -0.02 0.00 1.55 0.00 0.00 64.86 65.34 1cr7 h ILE 54 Cb 1.06 1.60 -0.15 0.00 -0.27 0.00 0.00 36.82 39.06 1cr7 h ILE 54 CO 1.15 0.00 0.23 -1.66 -1.05 0.00 0.00 178.15 176.82 1cr7 s TRP 55 N -3.21 -0.57 -0.07 0.16 1.48 -1.19 0.54 118.94 116.08 1cr7 s TRP 55 Ca 0.06 0.60 0.02 0.00 -1.06 0.00 0.00 56.10 55.72 1cr7 s TRP 55 Cb 0.09 0.51 -0.03 0.00 -1.16 0.00 0.00 33.47 32.88 1cr7 s TRP 55 CO 0.69 -0.74 -0.11 0.45 -4.06 0.00 0.00 176.95 173.18 1cr7 s SER 56 N -2.18 4.31 0.10 -2.66 0.15 -0.71 -4.63 113.70 108.08 1cr7 s SER 56 Ca -0.03 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.55 1cr7 s SER 56 Cb -0.01 -1.08 -0.22 0.00 -1.71 0.00 0.00 66.02 63.01 1cr7 s SER 56 CO -0.05 0.33 1.21 0.77 1.20 0.00 0.00 173.24 176.70 1cr7 h SER 57 N 5.47 0.04 0.67 5.45 4.64 -1.95 -1.26 113.55 126.61 1cr7 h SER 57 Ca -0.45 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1cr7 h SER 57 Cb 1.17 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1cr7 h SER 57 CO 0.52 1.04 -0.32 0.00 -0.87 0.00 0.00 176.83 177.20 1cr7 h ALA 58 N 0.95 -0.95 0.03 5.18 0.00 -1.98 -3.34 119.26 119.16 1cr7 h ALA 58 Ca -0.05 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1cr7 h ALA 58 Cb 1.81 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.93 1cr7 h ALA 58 CO 0.13 -0.88 -1.13 1.79 0.00 0.00 0.00 179.25 179.16 1cr7 h THR 59 N -1.16 1.58 0.00 0.00 1.35 -1.98 -3.48 112.91 109.23 1cr7 h THR 59 Ca -0.09 -3.27 0.00 0.00 -0.55 0.00 0.00 66.41 62.50 1cr7 h THR 59 Cb 0.68 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1cr7 h THR 59 CO 0.15 0.92 0.00 0.61 -0.25 0.00 0.00 175.52 176.95 1cr7 n GLY 60 N 1.42 0.74 3.82 5.82 0.00 -0.48 -5.05 105.19 111.47 1cr7 n GLY 60 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.84 5.46 0.01 1.61 0.02 -1.25 -4.82 114.94 113.13 1cr7 s ASN 61 Ca 0.00 1.64 0.05 0.00 -1.02 0.00 0.00 52.86 53.53 1cr7 s ASN 61 Cb 0.00 -2.50 -0.01 0.00 0.02 0.00 0.00 41.25 38.75 1cr7 s ASN 61 CO 0.00 -1.39 -0.14 -0.69 0.02 0.00 0.00 177.10 174.90 1cr7 s VAL 62 N -2.96 1.11 0.59 1.60 1.01 -1.26 -1.74 120.40 118.75 1cr7 s VAL 62 Ca 0.59 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1cr7 s VAL 62 Cb -0.14 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1cr7 s VAL 62 CO 0.52 0.19 1.02 0.00 0.00 0.00 0.00 175.10 176.83 1cr7 s ALA 63 N -0.53 3.03 0.01 5.51 0.00 0.19 -4.72 121.76 125.24 1cr7 s ALA 63 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1cr7 s ALA 63 Cb -0.06 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1cr7 s ALA 63 CO 0.00 -0.60 -0.08 -1.12 0.00 0.00 0.00 175.76 173.96 1cr7 s SER 64 N -3.71 4.53 -0.01 0.00 0.01 -0.46 -4.28 113.70 109.78 1cr7 s SER 64 Ca 0.57 -0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.63 1cr7 s SER 64 Cb -0.11 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1cr7 s SER 64 CO 0.46 0.28 0.06 0.72 0.41 0.00 0.00 173.24 175.16 1cr7 s PHE 65 N -0.99 0.01 -0.13 2.43 -0.12 -0.93 -0.96 117.98 117.30 1cr7 s PHE 65 Ca 0.17 -0.02 0.02 0.00 -0.05 0.00 0.00 56.93 57.05 1cr7 s PHE 65 Cb -0.11 -0.03 -0.00 0.00 -0.63 0.00 0.00 43.02 42.25 1cr7 s PHE 65 CO 0.07 -0.10 -0.20 -1.17 -0.05 0.00 0.00 175.22 173.77 1cr7 s LEU 66 N -0.48 2.28 -0.06 -1.99 2.96 0.43 -0.97 118.68 120.85 1cr7 s LEU 66 Ca -0.05 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1cr7 s LEU 66 Cb -0.03 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.19 1cr7 s LEU 66 CO 0.00 0.13 0.17 0.28 -1.32 0.00 0.00 176.35 175.60 1cr7 s THR 67 N 0.55 0.01 0.05 3.68 -1.32 0.05 -1.27 115.64 117.39 1cr7 s THR 67 Ca -0.12 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.31 1cr7 s THR 67 Cb -0.17 -0.26 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 1cr7 s THR 67 CO 0.04 -0.04 -0.06 -0.94 -2.21 0.00 0.00 174.62 171.41 1cr7 s SER 68 N -0.05 0.78 0.04 8.08 1.04 -0.91 0.45 113.70 123.13 1cr7 s SER 68 Ca -0.01 -0.69 -0.27 0.00 0.48 0.00 0.00 55.95 55.46 1cr7 s SER 68 Cb -0.02 0.08 0.09 0.00 0.10 0.00 0.00 66.02 66.27 1cr7 s SER 68 CO 0.00 -0.32 0.77 0.72 0.98 0.00 0.00 173.24 175.39 1cr7 s PHE 69 N -2.16 -0.45 0.02 5.02 -0.12 -0.65 -1.75 117.98 117.88 1cr7 s PHE 69 Ca -0.04 0.37 0.06 0.00 -0.05 0.00 0.00 56.93 57.26 1cr7 s PHE 69 Cb -0.05 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.85 1cr7 s PHE 69 CO -0.02 -0.65 -0.18 -1.54 -0.05 0.00 0.00 175.22 172.78 1cr7 s SER 70 N -2.37 2.14 0.34 1.98 1.04 -1.20 -0.87 113.70 114.75 1cr7 s SER 70 Ca 0.02 -0.41 0.06 0.00 0.48 0.00 0.00 55.95 56.09 1cr7 s SER 70 Cb -0.01 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 1cr7 s SER 70 CO -0.08 0.16 0.20 2.22 0.98 0.00 0.00 173.24 176.73 1cr7 n PHE 71 N 2.24 -0.35 -3.67 5.02 1.16 -0.60 -0.62 117.46 120.64 1cr7 n PHE 71 Ca -0.16 -2.51 -0.11 0.00 -1.87 0.00 0.00 57.45 52.80 1cr7 n PHE 71 Cb 0.54 0.15 -0.09 0.00 -1.61 0.00 0.00 39.48 38.47 1cr7 n PHE 71 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1cr7 s GLU 72 N -3.33 0.62 -0.08 3.97 2.12 -0.08 -1.44 118.70 120.47 1cr7 s GLU 72 Ca 0.29 0.92 0.05 0.00 0.36 0.00 0.00 54.97 56.59 1cr7 s GLU 72 Cb 0.01 0.19 -0.00 0.00 0.26 0.00 0.00 34.13 34.59 1cr7 s GLU 72 CO 0.20 -0.12 -0.24 -1.64 -0.54 0.00 0.00 175.26 172.92 1cr7 s MET 73 N 0.94 2.85 0.01 4.30 -1.94 -1.26 -0.37 119.30 123.82 1cr7 s MET 73 Ca -0.05 -0.89 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 1cr7 s MET 73 Cb -0.05 -2.24 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 1cr7 s MET 73 CO -0.08 0.26 -0.09 0.21 -0.01 0.00 0.00 175.02 175.31 1cr7 s LYS 74 N 0.15 0.65 0.48 2.03 2.20 -0.75 -0.96 119.74 123.54 1cr7 s LYS 74 Ca -0.13 -0.45 -0.20 0.00 -0.36 0.00 0.00 55.97 54.83 1cr7 s LYS 74 Cb -0.16 -0.60 -0.08 0.00 -1.51 0.00 0.00 37.83 35.48 1cr7 s LYS 74 CO 0.07 0.15 1.04 -0.51 -0.36 0.00 0.00 175.35 175.74 1cr7 s ASP 75 N -0.61 6.34 -0.02 1.43 -0.00 -1.26 -0.22 116.67 122.33 1cr7 s ASP 75 Ca 0.00 1.94 0.04 0.00 -0.00 0.00 0.00 52.55 54.54 1cr7 s ASP 75 Cb -0.05 -2.56 -0.01 0.00 -0.00 0.00 0.00 42.92 40.30 1cr7 s ASP 75 CO 0.00 -0.78 -0.15 0.27 -0.00 0.00 0.00 175.17 174.51 1cr7 s ILE 76 N -1.96 1.23 0.27 0.77 -4.36 -1.26 -4.81 121.20 111.08 1cr7 s ILE 76 Ca 0.67 -0.64 -0.28 0.00 -0.26 0.00 0.00 60.65 60.14 1cr7 s ILE 76 Cb -0.17 -1.05 -0.15 0.00 1.25 0.00 0.00 42.46 42.35 1cr7 s ILE 76 CO 0.20 0.36 0.95 1.17 0.24 0.00 0.00 174.94 177.86 1cr7 n LYS 77 N 2.93 1.14 -0.10 0.37 4.81 -1.26 -2.47 118.16 123.58 1cr7 n LYS 77 Ca -0.16 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1cr7 n LYS 77 Cb 0.54 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.87 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 1.40 0.00 -4.48 3.14 8.00 -1.26 -4.97 116.55 118.37 1cr7 n ASP 78 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1cr7 n ASP 78 Cb 0.30 -0.91 -0.12 0.00 -0.02 0.00 0.00 41.12 40.38 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 -1.95 2.58 0.14 1.24 1.51 -1.03 -5.02 117.35 114.82 1cr7 s TYR 79 Ca 0.00 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1cr7 s TYR 79 Cb 0.00 -1.44 -0.08 0.00 -0.11 0.00 0.00 41.96 40.34 1cr7 s TYR 79 CO 0.00 0.31 1.25 -0.51 -1.11 0.00 0.00 175.55 175.49 1cr7 s ASP 80 N -1.68 7.01 -0.64 2.29 -0.00 -0.58 -4.60 116.67 118.47 1cr7 s ASP 80 Ca 0.16 2.22 -0.26 0.00 -0.00 0.00 0.00 52.55 54.67 1cr7 s ASP 80 Cb -0.11 -2.60 -0.04 0.00 -0.00 0.00 0.00 42.92 40.18 1cr7 s ASP 80 CO 0.07 -0.47 1.99 -2.84 -0.00 0.00 0.00 175.17 173.93 1cr7 s PRO 81 N 0.33 2.48 0.18 8.23 0.02 -1.26 -0.91 135.00 144.07 1cr7 s PRO 81 Ca 0.57 0.61 -0.17 0.00 0.02 0.00 0.00 61.00 62.03 1cr7 s PRO 81 Cb -0.33 -4.54 0.03 0.00 0.02 0.00 0.00 34.50 29.68 1cr7 s PRO 81 CO 0.34 -3.00 0.51 0.00 -0.33 0.00 0.00 177.00 174.52 1cr7 s ALA 82 N 10.03 -0.94 -0.18 -1.55 0.00 -1.26 -4.56 121.76 123.30 1cr7 s ALA 82 Ca 0.74 -0.19 0.15 0.00 0.00 0.00 0.00 51.96 52.67 1cr7 s ALA 82 Cb -0.12 0.84 -0.22 0.00 0.00 0.00 0.00 23.12 23.62 1cr7 s ALA 82 CO 0.18 -0.78 0.05 -0.25 0.00 0.00 0.00 175.76 174.96 1cr7 n ASP 83 N -0.33 0.69 0.00 0.00 8.00 -0.51 -3.03 116.55 121.37 1cr7 n ASP 83 Ca -0.11 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1cr7 n ASP 83 Cb 0.63 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 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 1.93 1.78 3.50 0.44 0.00 -1.26 -1.60 105.19 109.97 1cr7 n GLY 84 Ca -0.29 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.35 2.96 -0.07 -0.61 1.01 -1.08 -3.63 121.20 118.44 1cr7 s ILE 85 Ca 0.00 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.31 1cr7 s ILE 85 Cb 0.00 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1cr7 s ILE 85 CO 0.00 0.18 -0.04 -0.51 0.00 0.00 0.00 174.94 174.57 1cr7 s ILE 86 N -1.09 0.59 -0.17 2.92 2.07 -0.30 -0.22 121.20 125.00 1cr7 s ILE 86 Ca 0.18 -0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.07 1cr7 s ILE 86 Cb -0.11 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 1cr7 s ILE 86 CO 0.09 0.27 0.91 0.12 -1.91 0.00 0.00 174.94 174.42 1cr7 s PHE 87 N 1.42 3.42 0.21 3.50 5.36 -0.38 -1.91 117.98 129.60 1cr7 s PHE 87 Ca -0.03 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.32 1cr7 s PHE 87 Cb -0.13 -3.10 -0.05 0.00 -0.34 0.00 0.00 43.02 39.39 1cr7 s PHE 87 CO -0.03 -0.29 0.04 -0.59 -1.46 0.00 0.00 175.22 172.88 1cr7 s PHE 88 N 2.36 1.37 -0.05 10.12 -0.12 0.96 0.13 117.98 132.75 1cr7 s PHE 88 Ca 0.41 -1.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1cr7 s PHE 88 Cb -0.17 -0.79 0.03 0.00 -0.63 0.00 0.00 43.02 41.46 1cr7 s PHE 88 CO 0.12 -0.24 -0.01 0.42 -0.05 0.00 0.00 175.22 175.46 1cr7 s ILE 89 N -3.67 0.36 0.27 -4.49 1.01 0.16 -1.28 121.20 113.56 1cr7 s ILE 89 Ca 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.91 1cr7 s ILE 89 Cb 0.07 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 1cr7 s ILE 89 CO 0.08 0.21 0.41 0.00 0.00 0.00 0.00 174.94 175.64 1cr7 s ALA 90 N 1.29 0.38 0.68 9.38 0.00 -0.90 -0.04 121.76 132.54 1cr7 s ALA 90 Ca -0.06 -1.26 -0.17 0.00 0.00 0.00 0.00 51.96 50.48 1cr7 s ALA 90 Cb -0.13 1.16 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 1cr7 s ALA 90 CO -0.02 -0.78 1.02 -2.30 0.00 0.00 0.00 175.76 173.68 1cr7 n PRO 91 N -0.42 0.71 0.32 0.00 -0.02 -1.26 -0.76 135.00 133.57 1cr7 n PRO 91 Ca -0.00 0.29 0.20 0.00 -2.02 0.00 0.00 63.50 61.97 1cr7 n PRO 91 Cb 0.63 -2.26 1.09 0.00 -0.02 0.00 0.00 33.50 32.93 1cr7 n PRO 91 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1cr7 h GLU 92 N 0.07 0.00 -0.11 -0.52 4.11 -1.85 -0.17 114.58 116.10 1cr7 h GLU 92 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1cr7 h GLU 92 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1cr7 h GLU 92 CO 0.49 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.17 1cr7 n ASP 93 N -3.39 1.30 -4.61 3.06 5.68 -1.26 -4.95 116.55 112.38 1cr7 n ASP 93 Ca -0.03 -1.61 -0.46 0.00 -0.50 0.00 0.00 54.79 52.19 1cr7 n ASP 93 Cb 0.08 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.07 1.31 -4.05 2.12 5.66 -0.08 -5.01 114.28 114.29 1cr7 n THR 94 Ca 0.16 -0.33 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 1cr7 n THR 94 Cb 0.28 -1.08 -0.08 0.00 -1.55 0.00 0.00 70.33 67.90 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 -0.83 1.09 0.21 1.09 -1.52 -1.26 -5.07 119.66 113.37 1cr7 s GLN 95 Ca 0.67 -1.32 -0.31 0.00 -1.95 0.00 0.00 55.36 52.45 1cr7 s GLN 95 Cb -0.74 0.32 -0.10 0.00 -0.22 0.00 0.00 33.01 32.27 1cr7 s GLN 95 CO 0.54 -0.37 1.48 0.42 -0.25 0.00 0.00 175.29 177.11 1cr7 s ILE 96 N -4.02 2.69 0.24 1.08 1.01 -1.26 -4.90 121.20 116.04 1cr7 s ILE 96 Ca 0.22 0.55 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 1cr7 s ILE 96 Cb 0.05 -3.35 -0.15 0.00 0.01 0.00 0.00 42.46 39.03 1cr7 s ILE 96 CO 0.02 0.07 1.13 -2.65 0.00 0.00 0.00 174.94 173.51 1cr7 n PRO 97 N 2.99 1.39 -1.80 2.79 -0.02 -1.26 -4.86 135.00 134.23 1cr7 n PRO 97 Ca 0.09 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1cr7 n PRO 97 Cb 0.40 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.59 3.84 -1.44 3.55 0.00 -1.26 -2.14 121.76 123.73 1cr7 s ALA 98 Ca 0.65 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 54.10 1cr7 s ALA 98 Cb -0.75 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 18.71 1cr7 s ALA 98 CO 0.56 -0.90 0.51 0.41 0.00 0.00 0.00 175.76 176.34 1cr7 n GLY 99 N 3.39 -0.41 3.71 0.00 0.00 -1.26 -4.91 105.19 105.70 1cr7 n GLY 99 Ca 0.13 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1cr7 n GLY 99 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cr7 n SER 100 N -2.08 3.03 -1.26 1.61 2.88 -0.91 -4.89 113.62 112.00 1cr7 n SER 100 Ca -0.11 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1cr7 n SER 100 Cb 0.62 -1.50 0.29 0.00 -0.75 0.00 0.00 64.21 62.87 1cr7 n SER 100 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1cr7 n ILE 101 N 1.03 1.12 -1.08 2.46 -5.35 -1.26 -5.04 119.36 111.24 1cr7 n ILE 101 Ca 0.07 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 1cr7 n ILE 101 Cb 0.35 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 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 1.32 3.12 7.00 3.28 0.00 -1.26 -4.80 105.19 113.85 1cr7 n GLY 102 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 2.78 0.05 -0.02 0.00 -0.48 -2.18 105.19 105.34 1cr7 n GLY 103 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.85 0.00 -0.02 0.00 -1.26 -2.61 105.19 100.45 1cr7 n GLY 104 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.76 0.05 -0.98 2.61 -2.24 -0.93 -4.90 114.28 106.14 1cr7 n THR 105 Ca 0.01 0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.75 1cr7 n THR 105 Cb 0.10 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 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 -1.17 -0.29 -0.28 3.22 4.77 -1.07 -1.33 117.00 120.85 1cr7 n LEU 106 Ca 0.17 0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 1cr7 n LEU 106 Cb 0.17 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.75 1cr7 n LEU 106 CO 0.19 -0.47 -0.04 0.61 -1.33 0.00 0.00 177.39 176.36 1cr7 n GLY 107 N 0.04 0.67 0.00 -0.72 0.00 -1.26 -3.71 105.19 100.20 1cr7 n GLY 107 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.86 0.00 -4.47 1.61 0.24 -0.44 -4.58 118.33 107.83 1cr7 n VAL 108 Ca -0.04 -0.22 -0.23 0.00 -2.04 0.00 0.00 64.34 61.82 1cr7 n VAL 108 Cb 0.14 0.92 -0.10 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.54 2.49 0.38 -1.34 1.04 -1.01 -4.59 113.70 110.12 1cr7 s SER 109 Ca 0.00 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 54.93 1cr7 s SER 109 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1cr7 s SER 109 CO 0.00 -0.75 0.00 -0.90 0.98 0.00 0.00 173.24 172.57 1cr7 n ASP 110 N -0.92 0.00 -0.08 7.02 5.68 -0.23 -4.76 116.55 123.26 1cr7 n ASP 110 Ca -0.04 -0.44 0.01 0.00 -0.50 0.00 0.00 54.79 53.82 1cr7 n ASP 110 Cb 0.66 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.94 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 -0.38 1.18 0.00 2.12 2.02 -1.95 -1.63 112.91 114.27 1cr7 h THR 111 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1cr7 h THR 111 Cb 0.00 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1cr7 h THR 111 CO 0.00 0.21 0.00 0.11 0.37 0.00 0.00 175.52 176.21 1cr7 h LYS 112 N 0.71 0.00 0.00 6.66 1.79 -2.00 -3.47 116.57 120.27 1cr7 h LYS 112 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1cr7 h LYS 112 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1cr7 h LYS 112 CO -0.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 1cr7 n GLY 113 N 0.52 0.66 3.90 3.86 0.00 -0.61 -4.88 105.19 108.64 1cr7 n GLY 113 Ca 0.03 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.00 3.95 0.20 4.61 0.00 -1.26 -0.50 121.76 126.76 1cr7 s ALA 114 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1cr7 s ALA 114 Cb 0.00 -1.91 0.08 0.00 0.00 0.00 0.00 23.12 21.29 1cr7 s ALA 114 CO 0.00 0.75 1.03 0.20 0.00 0.00 0.00 175.76 177.74 1cr7 s GLY 115 N -2.07 0.17 -0.66 0.00 0.00 -1.03 -1.07 107.32 102.67 1cr7 s GLY 115 Ca 0.30 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1cr7 s GLY 115 CO 0.21 2.59 0.46 -1.58 0.00 0.00 0.00 173.10 174.77 1cr7 s HIS 116 N -2.06 3.45 0.24 1.90 2.46 -1.26 -4.39 115.29 115.63 1cr7 s HIS 116 Ca 0.23 -3.03 -0.22 0.00 0.47 0.00 0.00 55.06 52.51 1cr7 s HIS 116 Cb -0.03 -3.00 0.04 0.00 -0.13 0.00 0.00 32.58 29.46 1cr7 s HIS 116 CO 0.06 -0.74 0.83 -0.59 -2.47 0.00 0.00 174.74 171.83 1cr7 s PHE 117 N -0.63 -0.12 -0.03 3.88 -0.12 -1.26 -4.28 117.98 115.42 1cr7 s PHE 117 Ca 0.20 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1cr7 s PHE 117 Cb -0.17 0.70 0.02 0.00 -0.63 0.00 0.00 43.02 42.95 1cr7 s PHE 117 CO -0.06 -1.12 -0.00 0.08 -0.05 0.00 0.00 175.22 174.06 1cr7 s VAL 118 N -3.42 0.18 0.23 -2.49 1.01 0.94 -0.33 120.40 116.52 1cr7 s VAL 118 Ca 0.13 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1cr7 s VAL 118 Cb -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.12 1cr7 s VAL 118 CO 0.06 0.14 0.85 -0.83 0.00 0.00 0.00 175.10 175.32 1cr7 s GLY 119 N 0.91 -0.10 -0.26 4.51 0.00 0.24 0.40 107.32 113.03 1cr7 s GLY 119 Ca -0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.43 1cr7 s GLY 119 CO -0.02 0.08 -0.01 0.14 0.00 0.00 0.00 173.10 173.30 1cr7 s VAL 120 N -3.39 3.33 0.11 1.40 1.01 0.12 -0.00 120.40 122.97 1cr7 s VAL 120 Ca 0.13 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1cr7 s VAL 120 Cb -0.04 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1cr7 s VAL 120 CO 0.05 0.18 0.35 -1.83 0.00 0.00 0.00 175.10 173.85 1cr7 s GLU 121 N 1.40 3.62 -0.63 2.72 -1.05 0.40 -1.25 118.70 123.91 1cr7 s GLU 121 Ca 0.02 -0.08 0.06 0.00 -0.15 0.00 0.00 54.97 54.81 1cr7 s GLU 121 Cb -0.17 -2.91 0.21 0.00 -0.44 0.00 0.00 34.13 30.82 1cr7 s GLU 121 CO -0.02 0.51 0.59 1.19 0.95 0.00 0.00 175.26 178.48 1cr7 n PHE 122 N 0.34 2.82 -2.73 4.83 3.01 0.69 -1.16 117.46 125.26 1cr7 n PHE 122 Ca -0.04 -4.12 -0.42 0.00 1.01 0.00 0.00 57.45 53.87 1cr7 n PHE 122 Cb 0.52 -0.51 -0.03 0.00 -0.01 0.00 0.00 39.48 39.45 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 -1.74 7.08 0.00 4.37 3.68 -0.63 -2.63 116.67 126.80 1cr7 s ASP 123 Ca 0.32 1.34 0.18 0.00 2.13 0.00 0.00 52.55 56.53 1cr7 s ASP 123 Cb 0.06 -2.52 0.10 0.00 -1.45 0.00 0.00 42.92 39.11 1cr7 s ASP 123 CO -0.10 -0.56 1.03 0.35 0.13 0.00 0.00 175.17 176.02 1cr7 n THR 124 N 5.05 0.00 -4.70 1.71 -2.24 -0.63 -1.66 114.28 111.81 1cr7 n THR 124 Ca 0.09 -0.44 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 1cr7 n THR 124 Cb 0.47 1.33 -0.16 0.00 -2.10 0.00 0.00 70.33 69.87 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 -1.69 1.58 -0.59 4.78 5.04 -1.22 -4.80 117.35 120.44 1cr7 s TYR 125 Ca 0.20 -0.54 -0.24 0.00 -2.44 0.00 0.00 57.07 54.05 1cr7 s TYR 125 Cb 0.15 -1.11 0.05 0.00 0.35 0.00 0.00 41.96 41.40 1cr7 s TYR 125 CO 0.30 -0.24 0.97 0.45 -1.34 0.00 0.00 175.55 175.69 1cr7 s SER 126 N 0.40 6.29 -0.70 4.32 0.15 -1.26 -5.00 113.70 117.90 1cr7 s SER 126 Ca -0.11 -0.51 -0.15 0.00 0.70 0.00 0.00 55.95 55.88 1cr7 s SER 126 Cb -0.14 -2.44 0.17 0.00 -1.71 0.00 0.00 66.02 61.90 1cr7 s SER 126 CO 0.03 -1.33 0.67 0.20 1.20 0.00 0.00 173.24 174.02 1cr7 s ASN 127 N 3.11 6.50 0.56 5.45 -0.87 -1.26 -4.93 114.94 123.50 1cr7 s ASN 127 Ca 0.29 -2.25 0.33 0.00 -1.57 0.00 0.00 52.86 49.66 1cr7 s ASN 127 Cb -0.13 -2.22 1.47 0.00 -0.02 0.00 0.00 41.25 40.35 1cr7 s ASN 127 CO 0.17 -0.73 1.80 0.77 -2.57 0.00 0.00 177.10 176.53 1cr7 h SER 128 N 8.33 0.00 0.73 -1.22 4.64 -1.95 0.18 113.55 124.26 1cr7 h SER 128 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1cr7 h SER 128 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1cr7 h SER 128 CO 0.90 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.91 1cr7 h GLU 129 N 0.00 0.00 -0.29 4.77 9.09 -1.96 -1.96 114.58 124.22 1cr7 h GLU 129 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1cr7 h GLU 129 Cb 1.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.07 1cr7 h GLU 129 CO -0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1cr7 n TYR 130 N -3.01 0.95 -3.22 2.06 0.53 0.63 -4.96 117.16 110.14 1cr7 n TYR 130 Ca -0.00 -0.82 -0.23 0.00 -1.02 0.00 0.00 57.90 55.83 1cr7 n TYR 130 Cb 0.24 -0.29 0.02 0.00 -1.03 0.00 0.00 39.34 38.27 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 -0.30 -4.86 -4.77 7.72 3.02 -0.74 -4.28 115.26 111.05 1cr7 n ASN 131 Ca 0.20 -0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 54.01 1cr7 n ASN 131 Cb 0.85 -3.96 -0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -2.73 6.21 0.72 6.41 1.11 -1.17 -4.92 116.67 122.30 1cr7 s ASP 132 Ca 0.36 2.66 -0.13 0.00 0.18 0.00 0.00 52.55 55.62 1cr7 s ASP 132 Cb -0.18 -2.64 0.03 0.00 1.07 0.00 0.00 42.92 41.21 1cr7 s ASP 132 CO 0.45 -0.92 1.10 -2.84 1.18 0.00 0.00 175.17 174.14 1cr7 s PRO 133 N -2.33 2.49 0.00 8.23 0.02 -1.26 -4.74 135.00 137.41 1cr7 s PRO 133 Ca 0.58 1.28 0.04 0.00 0.02 0.00 0.00 61.00 62.92 1cr7 s PRO 133 Cb -0.38 -1.92 0.24 0.00 0.02 0.00 0.00 34.50 32.46 1cr7 s PRO 133 CO 0.48 -1.48 0.60 -0.35 -0.33 0.00 0.00 177.00 175.93 1cr7 n PRO 134 N -3.03 0.32 -4.22 5.54 -0.04 -1.26 -4.67 135.00 127.64 1cr7 n PRO 134 Ca 0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 1cr7 n PRO 134 Cb 0.52 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.71 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 0.00 0.67 0.52 -4.23 -1.26 -4.97 115.64 104.36 1cr7 s THR 135 Ca 0.06 -1.95 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1cr7 s THR 135 Cb 0.03 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1cr7 s THR 135 CO 0.05 0.00 1.27 0.47 -0.54 0.00 0.00 174.62 175.87 1cr7 n ASP 136 N -0.94 1.89 -3.53 3.99 10.43 -1.25 -4.84 116.55 122.30 1cr7 n ASP 136 Ca 0.04 0.80 -0.09 0.00 2.57 0.00 0.00 54.79 58.11 1cr7 n ASP 136 Cb 0.64 -1.55 -0.02 0.00 1.84 0.00 0.00 41.12 42.03 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 -1.49 -0.37 -0.00 1.24 -3.43 -0.66 -1.04 115.29 109.53 1cr7 s HIS 137 Ca 0.81 0.17 0.01 0.00 -0.80 0.00 0.00 55.06 55.25 1cr7 s HIS 137 Cb -0.37 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1cr7 s HIS 137 CO 0.42 -0.74 0.02 0.08 -2.00 0.00 0.00 174.74 172.52 1cr7 s VAL 138 N -3.42 4.30 0.00 -5.38 1.01 -0.90 -1.60 120.40 114.41 1cr7 s VAL 138 Ca 0.05 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1cr7 s VAL 138 Cb -0.01 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1cr7 s VAL 138 CO -0.08 0.38 0.27 -0.83 0.00 0.00 0.00 175.10 174.84 1cr7 s GLY 139 N -1.58 -0.09 -0.34 4.51 0.00 -0.31 -1.51 107.32 107.99 1cr7 s GLY 139 Ca 0.20 0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.94 1cr7 s GLY 139 CO 0.11 -0.06 0.19 -0.42 0.00 0.00 0.00 173.10 172.92 1cr7 s ILE 140 N -1.65 4.70 -0.19 0.90 -1.09 -0.50 -0.45 121.20 122.92 1cr7 s ILE 140 Ca -0.12 -0.58 -0.08 0.00 -2.23 0.00 0.00 60.65 57.64 1cr7 s ILE 140 Cb -0.05 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1cr7 s ILE 140 CO 0.02 -0.08 0.07 -1.81 -1.23 0.00 0.00 174.94 171.90 1cr7 s ASP 141 N 1.61 5.61 -0.30 3.58 -0.00 0.99 -0.92 116.67 127.24 1cr7 s ASP 141 Ca 0.04 0.06 0.01 0.00 -0.00 0.00 0.00 52.55 52.66 1cr7 s ASP 141 Cb -0.18 -1.97 0.09 0.00 -0.00 0.00 0.00 42.92 40.86 1cr7 s ASP 141 CO 0.07 0.15 0.04 -0.69 -0.00 0.00 0.00 175.17 174.75 1cr7 s VAL 142 N 0.50 1.51 -2.11 -1.27 1.01 -1.26 -0.59 120.40 118.19 1cr7 s VAL 142 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1cr7 s VAL 142 Cb -0.13 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1cr7 s VAL 142 CO 0.01 -0.50 0.00 0.59 0.00 0.00 0.00 175.10 175.20 1cr7 n ASN 143 N 4.60 -5.59 -3.61 3.32 5.03 0.55 -4.91 115.26 114.65 1cr7 n ASN 143 Ca -0.02 0.39 -0.05 0.00 0.87 0.00 0.00 54.58 55.77 1cr7 n ASN 143 Cb 0.43 -4.86 -0.04 0.00 -1.02 0.00 0.00 39.78 34.29 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 -2.59 -0.14 0.00 6.41 0.15 -1.26 -2.46 113.70 113.81 1cr7 s SER 144 Ca 0.00 0.10 0.28 0.00 0.70 0.00 0.00 55.95 57.04 1cr7 s SER 144 Cb 0.00 0.13 1.14 0.00 -1.71 0.00 0.00 66.02 65.58 1cr7 s SER 144 CO 0.00 -0.17 1.80 1.33 1.20 0.00 0.00 173.24 177.40 1cr7 n VAL 145 N 0.34 0.00 -2.89 4.45 0.24 0.34 -4.42 118.33 116.39 1cr7 n VAL 145 Ca -0.02 -0.21 -0.44 0.00 -2.04 0.00 0.00 64.34 61.64 1cr7 n VAL 145 Cb 0.58 0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.30 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 -2.03 6.72 0.23 -1.34 3.68 -1.26 -4.94 116.67 117.72 1cr7 s ASP 146 Ca 0.38 -2.21 -0.29 0.00 2.13 0.00 0.00 52.55 52.57 1cr7 s ASP 146 Cb 0.21 -2.42 -0.15 0.00 -1.45 0.00 0.00 42.92 39.11 1cr7 s ASP 146 CO 0.35 -1.04 0.86 -1.20 0.13 0.00 0.00 175.17 174.28 1cr7 n SER 147 N 6.62 0.39 0.19 -0.34 7.64 -1.26 -4.84 113.62 122.01 1cr7 n SER 147 Ca 0.28 1.16 0.05 0.00 1.01 0.00 0.00 58.87 61.37 1cr7 n SER 147 Cb 0.48 -1.15 0.37 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.77 0.95 -1.83 0.44 2.07 -1.36 -3.45 116.25 114.84 1cr7 h VAL 148 Ca -0.36 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1cr7 h VAL 148 Cb 1.38 1.84 -0.22 0.00 -1.52 0.00 0.00 31.29 32.76 1cr7 h VAL 148 CO 0.61 0.36 0.28 -0.75 0.02 0.00 0.00 177.57 178.09 1cr7 s LYS 149 N -3.77 0.75 0.21 1.57 2.20 -1.24 -5.01 119.74 114.46 1cr7 s LYS 149 Ca -0.01 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.26 1cr7 s LYS 149 Cb 0.12 0.36 -0.05 0.00 -1.51 0.00 0.00 37.83 36.76 1cr7 s LYS 149 CO 0.69 -0.14 0.07 0.95 -0.36 0.00 0.00 175.35 176.56 1cr7 s THR 150 N -0.12 0.46 -0.09 3.43 -4.23 -1.26 -1.41 115.64 112.41 1cr7 s THR 150 Ca -0.01 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1cr7 s THR 150 Cb -0.04 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.42 1cr7 s THR 150 CO 0.01 -0.18 0.22 0.54 -0.54 0.00 0.00 174.62 174.66 1cr7 s VAL 151 N -3.82 -0.02 0.30 2.29 0.11 -0.57 -4.98 120.40 113.71 1cr7 s VAL 151 Ca 0.33 0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.15 1cr7 s VAL 151 Cb 0.07 -0.32 -0.13 0.00 -1.53 0.00 0.00 36.38 34.47 1cr7 s VAL 151 CO 0.09 0.02 1.22 -2.65 -3.33 0.00 0.00 175.10 170.46 1cr7 n PRO 152 N 3.45 1.84 -4.07 1.54 -0.02 -1.26 -2.11 135.00 134.37 1cr7 n PRO 152 Ca -0.18 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1cr7 n PRO 152 Cb 0.56 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1cr7 n PRO 152 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1cr7 s TRP 153 N -0.85 0.68 -0.12 6.00 -0.00 -0.21 -4.78 118.94 119.65 1cr7 s TRP 153 Ca 0.59 -0.99 -0.03 0.00 -0.00 0.00 0.00 56.10 55.67 1cr7 s TRP 153 Cb -0.64 -0.18 0.04 0.00 -0.00 0.00 0.00 33.47 32.70 1cr7 s TRP 153 CO 0.59 -0.76 0.05 1.21 -0.00 0.00 0.00 176.95 178.04 1cr7 s ASN 154 N -3.05 1.99 -0.25 5.86 2.47 -1.26 -3.89 114.94 116.80 1cr7 s ASN 154 Ca 0.27 -0.36 -0.22 0.00 0.42 0.00 0.00 52.86 52.97 1cr7 s ASN 154 Cb 0.04 -0.34 -0.01 0.00 -1.45 0.00 0.00 41.25 39.48 1cr7 s ASN 154 CO 0.07 -0.28 0.70 -0.55 -3.72 0.00 0.00 177.10 173.32 1cr7 s SER 155 N 2.05 6.67 -0.22 -4.21 0.15 -1.26 -5.04 113.70 111.83 1cr7 s SER 155 Ca 0.03 0.82 -0.07 0.00 0.70 0.00 0.00 55.95 57.43 1cr7 s SER 155 Cb -0.14 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1cr7 s SER 155 CO -0.06 -0.42 0.06 -0.69 1.20 0.00 0.00 173.24 173.32 1cr7 s VAL 156 N 2.62 4.45 0.03 4.45 1.01 -1.26 -5.05 120.40 126.66 1cr7 s VAL 156 Ca 0.29 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1cr7 s VAL 156 Cb -0.15 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 1cr7 s VAL 156 CO 0.08 0.39 1.86 -0.55 0.00 0.00 0.00 175.10 176.88 1cr7 s SER 157 N 1.09 6.50 0.00 3.32 0.15 -1.26 -2.36 113.70 121.14 1cr7 s SER 157 Ca 0.04 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.27 1cr7 s SER 157 Cb -0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1cr7 s SER 157 CO 0.03 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1cr7 n GLY 158 N 4.37 0.82 3.81 9.45 0.00 -0.13 -4.93 105.19 118.58 1cr7 n GLY 158 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.17 3.64 -0.15 4.61 0.00 -1.00 -4.98 121.76 120.70 1cr7 s ALA 159 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 1cr7 s ALA 159 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 1cr7 s ALA 159 CO 0.00 0.39 0.89 0.08 0.00 0.00 0.00 175.76 177.11 1cr7 s VAL 160 N -0.81 4.85 -0.08 0.00 1.01 -1.26 -4.38 120.40 119.73 1cr7 s VAL 160 Ca 0.25 1.76 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 1cr7 s VAL 160 Cb -0.17 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1cr7 s VAL 160 CO 0.14 0.02 0.00 -0.69 0.00 0.00 0.00 175.10 174.57 1cr7 s VAL 161 N 2.12 4.29 -0.10 2.92 1.01 -0.52 -4.29 120.40 125.83 1cr7 s VAL 161 Ca 0.41 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.13 1cr7 s VAL 161 Cb -0.17 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1cr7 s VAL 161 CO 0.14 0.59 -0.14 -0.54 0.00 0.00 0.00 175.10 175.14 1cr7 s LYS 162 N -0.93 3.02 -0.04 2.72 1.02 -0.90 -1.56 119.74 123.06 1cr7 s LYS 162 Ca 0.14 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.47 1cr7 s LYS 162 Cb -0.11 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1cr7 s LYS 162 CO 0.03 0.37 -0.17 0.08 -0.92 0.00 0.00 175.35 174.75 1cr7 s VAL 163 N -0.08 1.37 -0.03 3.17 1.01 -0.05 -0.18 120.40 125.61 1cr7 s VAL 163 Ca -0.02 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.33 1cr7 s VAL 163 Cb -0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1cr7 s VAL 163 CO 0.04 0.39 -0.24 -0.89 0.00 0.00 0.00 175.10 174.40 1cr7 s THR 164 N -0.05 1.92 -0.03 3.92 2.01 -0.03 -1.64 115.64 121.74 1cr7 s THR 164 Ca -0.02 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1cr7 s THR 164 Cb -0.10 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.82 1cr7 s THR 164 CO 0.01 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 1cr7 s VAL 165 N -0.47 0.45 -0.05 3.82 1.01 0.17 -1.02 120.40 124.32 1cr7 s VAL 165 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1cr7 s VAL 165 Cb -0.10 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1cr7 s VAL 165 CO 0.00 0.19 -0.15 -0.63 0.00 0.00 0.00 175.10 174.51 1cr7 s ILE 166 N 0.65 1.30 -0.19 2.22 1.01 -0.40 -0.77 121.20 125.02 1cr7 s ILE 166 Ca -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1cr7 s ILE 166 Cb -0.11 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.25 1cr7 s ILE 166 CO -0.00 0.38 -0.15 -0.47 0.00 0.00 0.00 174.94 174.71 1cr7 s TYR 167 N 0.28 2.59 -0.25 3.97 5.04 -0.14 -0.50 117.35 128.34 1cr7 s TYR 167 Ca -0.08 -1.62 -0.16 0.00 -2.44 0.00 0.00 57.07 52.77 1cr7 s TYR 167 Cb -0.13 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 1cr7 s TYR 167 CO 0.03 -0.77 0.41 0.34 -1.34 0.00 0.00 175.55 174.22 1cr7 s ASP 168 N 1.34 6.34 0.21 4.32 2.15 -0.44 -2.19 116.67 128.41 1cr7 s ASP 168 Ca 0.01 0.40 -0.08 0.00 0.43 0.00 0.00 52.55 53.31 1cr7 s ASP 168 Cb -0.15 -2.23 0.16 0.00 -0.30 0.00 0.00 42.92 40.40 1cr7 s ASP 168 CO -0.10 -0.18 1.79 0.77 -0.17 0.00 0.00 175.17 177.28 1cr7 h SER 169 N 7.93 1.06 0.09 -0.34 4.64 -1.85 -0.45 113.55 124.63 1cr7 h SER 169 Ca -0.32 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1cr7 h SER 169 Cb 1.16 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1cr7 h SER 169 CO 0.68 0.92 -0.04 0.77 -0.87 0.00 0.00 176.83 178.28 1cr7 h SER 170 N 1.13 -0.10 0.72 4.97 4.64 -1.93 -3.15 113.55 119.82 1cr7 h SER 170 Ca 0.27 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1cr7 h SER 170 Cb 0.17 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1cr7 h SER 170 CO -0.03 0.00 -0.55 0.35 -0.87 0.00 0.00 176.83 175.73 1cr7 n THR 171 N -5.11 0.20 -2.99 2.95 -2.24 -1.23 -4.94 114.28 100.92 1cr7 n THR 171 Ca -0.08 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 1cr7 n THR 171 Cb 0.11 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.38 1cr7 n THR 171 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1cr7 n LYS 172 N -1.84 -4.55 -3.71 -0.78 5.02 -0.19 -4.86 118.16 107.25 1cr7 n LYS 172 Ca 0.04 0.72 -0.35 0.00 -2.02 0.00 0.00 58.31 56.70 1cr7 n LYS 172 Cb 0.39 -5.24 -0.08 0.00 -0.02 0.00 0.00 35.03 30.09 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 -3.10 5.40 -0.38 -0.18 2.01 -1.13 -0.17 115.64 118.09 1cr7 s THR 173 Ca 0.30 0.22 -0.10 0.00 0.31 0.00 0.00 61.69 62.42 1cr7 s THR 173 Cb -0.13 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 68.93 1cr7 s THR 173 CO 0.37 0.43 0.21 -0.22 -0.69 0.00 0.00 174.62 174.71 1cr7 s LEU 174 N 0.44 4.77 -0.17 4.42 2.96 0.01 -1.32 118.68 129.79 1cr7 s LEU 174 Ca 0.09 -1.13 -0.04 0.00 -0.22 0.00 0.00 54.13 52.82 1cr7 s LEU 174 Cb -0.11 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1cr7 s LEU 174 CO -0.01 -0.42 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.15 1cr7 s SER 175 N 1.66 4.88 -0.12 3.68 0.01 0.34 -1.88 113.70 122.27 1cr7 s SER 175 Ca 0.02 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.17 1cr7 s SER 175 Cb -0.20 -1.81 -0.00 0.00 0.21 0.00 0.00 66.02 64.22 1cr7 s SER 175 CO 0.05 0.15 -0.20 -0.69 0.41 0.00 0.00 173.24 172.96 1cr7 s VAL 176 N 0.50 2.33 -0.16 3.43 1.01 0.63 -1.27 120.40 126.86 1cr7 s VAL 176 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1cr7 s VAL 176 Cb -0.14 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1cr7 s VAL 176 CO 0.02 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.53 1cr7 s ALA 177 N 0.50 1.94 -0.25 5.51 0.00 -0.18 -1.43 121.76 127.83 1cr7 s ALA 177 Ca -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1cr7 s ALA 177 Cb -0.17 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1cr7 s ALA 177 CO 0.05 -0.48 0.01 0.08 0.00 0.00 0.00 175.76 175.42 1cr7 s VAL 178 N 1.45 3.66 -0.38 0.00 1.01 0.95 -0.85 120.40 126.24 1cr7 s VAL 178 Ca 0.04 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1cr7 s VAL 178 Cb -0.14 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1cr7 s VAL 178 CO -0.10 0.27 0.38 -0.89 0.00 0.00 0.00 175.10 174.75 1cr7 s THR 179 N 1.49 5.15 0.77 3.92 2.01 0.75 -0.77 115.64 128.96 1cr7 s THR 179 Ca 0.04 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 1cr7 s THR 179 Cb -0.16 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.50 1cr7 s THR 179 CO -0.00 -0.24 1.13 0.20 -0.69 0.00 0.00 174.62 175.02 1cr7 s ASN 180 N 1.76 4.87 0.14 3.53 -0.87 -0.35 -2.13 114.94 121.88 1cr7 s ASN 180 Ca 0.11 1.00 -0.27 0.00 -1.57 0.00 0.00 52.86 52.12 1cr7 s ASN 180 Cb -0.17 -1.65 -0.03 0.00 -0.02 0.00 0.00 41.25 39.37 1cr7 s ASN 180 CO 0.12 -1.70 1.60 -0.78 -2.57 0.00 0.00 177.10 173.77 1cr7 h ASP 181 N -0.91 -1.13 0.00 -1.22 3.58 -1.87 -2.35 116.42 112.54 1cr7 h ASP 181 Ca -0.46 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1cr7 h ASP 181 Cb 1.29 0.47 0.00 0.00 1.72 0.00 0.00 39.33 42.81 1cr7 h ASP 181 CO 0.64 -0.39 0.00 -0.46 -2.88 0.00 0.00 179.24 176.15 1cr7 n ASN 182 N -5.42 0.00 0.00 2.28 2.04 -1.26 -4.84 115.26 108.05 1cr7 n ASN 182 Ca -0.03 -0.38 0.00 0.00 -0.44 0.00 0.00 54.58 53.73 1cr7 n ASN 182 Cb 0.34 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.59 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 -0.34 3.05 3.60 4.83 0.00 -0.88 -5.07 105.19 110.37 1cr7 n GLY 183 Ca 0.06 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 1cr7 n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cr7 n ASP 184 N 0.54 1.01 -4.56 1.61 10.43 -1.26 -4.61 116.55 119.70 1cr7 n ASP 184 Ca 0.00 0.99 -0.26 0.00 2.57 0.00 0.00 54.79 58.09 1cr7 n ASP 184 Cb 0.00 -1.34 -0.09 0.00 1.84 0.00 0.00 41.12 41.53 1cr7 n ASP 184 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1cr7 s ILE 185 N -1.33 3.10 -0.04 0.53 -4.36 -1.26 -1.21 121.20 116.62 1cr7 s ILE 185 Ca 0.65 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 59.25 1cr7 s ILE 185 Cb -0.54 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 40.63 1cr7 s ILE 185 CO 0.56 -0.18 -0.04 -0.89 0.24 0.00 0.00 174.94 174.62 1cr7 s THR 186 N -1.88 0.50 0.25 8.37 2.01 0.05 -4.95 115.64 119.99 1cr7 s THR 186 Ca 0.26 -0.09 0.10 0.00 0.31 0.00 0.00 61.69 62.27 1cr7 s THR 186 Cb -0.08 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 1cr7 s THR 186 CO 0.16 0.22 -0.17 0.42 -0.69 0.00 0.00 174.62 174.56 1cr7 s THR 187 N 0.97 2.15 -0.20 -0.82 -4.23 -1.26 -0.04 115.64 112.21 1cr7 s THR 187 Ca -0.10 -2.31 -0.24 0.00 -1.18 0.00 0.00 61.69 57.85 1cr7 s THR 187 Cb -0.14 -2.23 0.06 0.00 1.34 0.00 0.00 72.50 71.53 1cr7 s THR 187 CO -0.00 -0.46 0.66 -0.51 -0.54 0.00 0.00 174.62 173.77 1cr7 s ILE 188 N -2.71 0.00 0.03 2.99 2.07 -0.52 -4.96 121.20 118.10 1cr7 s ILE 188 Ca 0.27 -0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.43 1cr7 s ILE 188 Cb -0.03 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.63 1cr7 s ILE 188 CO 0.12 -0.01 0.12 0.00 -1.91 0.00 0.00 174.94 173.27 1cr7 s ALA 189 N -0.01 -0.19 -0.23 1.50 0.00 -1.26 -0.27 121.76 121.31 1cr7 s ALA 189 Ca -0.03 -0.39 -0.26 0.00 0.00 0.00 0.00 51.96 51.28 1cr7 s ALA 189 Cb -0.04 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.39 1cr7 s ALA 189 CO 0.03 -0.30 0.79 -1.14 0.00 0.00 0.00 175.76 175.15 1cr7 s GLN 190 N -2.27 0.80 -0.22 0.00 2.00 -0.79 -4.99 119.66 114.19 1cr7 s GLN 190 Ca -0.08 0.73 -0.26 0.00 -2.00 0.00 0.00 55.36 53.75 1cr7 s GLN 190 Cb -0.03 0.38 -0.00 0.00 0.80 0.00 0.00 33.01 34.16 1cr7 s GLN 190 CO -0.03 -0.14 0.90 0.08 -0.50 0.00 0.00 175.29 175.60 1cr7 s VAL 191 N -0.03 4.80 -0.15 1.34 1.01 -1.26 -0.81 120.40 125.30 1cr7 s VAL 191 Ca -0.01 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.69 1cr7 s VAL 191 Cb -0.04 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.20 1cr7 s VAL 191 CO 0.01 -0.09 -0.01 -0.69 0.00 0.00 0.00 175.10 174.32 1cr7 s VAL 192 N 2.80 0.74 -0.83 2.92 1.01 0.76 -4.98 120.40 122.83 1cr7 s VAL 192 Ca 0.39 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1cr7 s VAL 192 Cb -0.16 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.26 1cr7 s VAL 192 CO 0.08 0.07 1.32 -0.62 0.00 0.00 0.00 175.10 175.96 1cr7 s ASP 193 N 1.79 6.28 0.26 3.32 3.68 -1.26 -4.70 116.67 126.04 1cr7 s ASP 193 Ca 0.01 -0.82 -0.05 0.00 2.13 0.00 0.00 52.55 53.83 1cr7 s ASP 193 Cb -0.15 -2.56 0.31 0.00 -1.45 0.00 0.00 42.92 39.08 1cr7 s ASP 193 CO -0.07 -1.71 1.92 -0.07 0.13 0.00 0.00 175.17 175.37 1cr7 h LEU 194 N 12.86 1.08 -2.17 -1.34 3.38 -1.97 -2.00 115.31 125.15 1cr7 h LEU 194 Ca -0.12 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1cr7 h LEU 194 Cb 1.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1cr7 h LEU 194 CO 1.32 0.80 0.28 0.50 0.09 0.00 0.00 178.44 181.44 1cr7 h LYS 195 N 1.25 0.00 0.00 1.13 3.64 -1.88 -1.03 116.57 119.68 1cr7 h LYS 195 Ca 0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1cr7 h LYS 195 Cb -0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1cr7 h LYS 195 CO -0.07 0.00 -2.00 0.00 -2.27 0.00 0.00 179.45 175.11 1cr7 n ALA 196 N -2.24 2.74 0.61 5.00 0.00 -0.78 -4.52 120.51 121.32 1cr7 n ALA 196 Ca 0.02 -0.55 0.09 0.00 0.00 0.00 0.00 53.44 53.01 1cr7 n ALA 196 Cb 0.40 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.27 0.65 -4.08 0.00 4.76 -0.60 -5.01 118.16 111.61 1cr7 n LYS 197 Ca -0.05 -0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.26 1cr7 n LYS 197 Cb 0.59 -1.42 -0.10 0.00 -1.84 0.00 0.00 35.03 32.25 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 -3.38 2.46 1.00 -0.35 1.43 -0.49 -4.80 118.68 114.55 1cr7 s LEU 198 Ca 0.03 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 1cr7 s LEU 198 Cb 0.14 0.17 0.19 0.00 0.03 0.00 0.00 46.19 46.72 1cr7 s LEU 198 CO 0.80 -0.56 1.15 -2.16 0.23 0.00 0.00 176.35 175.81 1cr7 s PRO 199 N -3.60 0.37 0.37 1.29 0.04 -1.26 -4.70 135.00 127.50 1cr7 s PRO 199 Ca 0.04 0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.32 1cr7 s PRO 199 Cb 0.06 -1.76 0.81 0.00 0.04 0.00 0.00 34.50 33.64 1cr7 s PRO 199 CO -0.09 -2.69 1.93 0.93 0.04 0.00 0.00 177.00 177.12 1cr7 h GLU 200 N -1.85 0.67 -5.22 4.56 5.08 -1.95 -3.40 114.58 112.46 1cr7 h GLU 200 Ca -0.49 -0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 57.16 1cr7 h GLU 200 Cb 1.31 -0.15 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 1cr7 h GLU 200 CO 0.52 0.44 -0.81 1.03 -1.00 0.00 0.00 179.01 179.19 1cr7 s ARG 201 N -5.64 3.22 0.37 2.33 0.52 -1.26 -0.07 118.95 118.43 1cr7 s ARG 201 Ca -0.09 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1cr7 s ARG 201 Cb 0.20 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 1cr7 s ARG 201 CO 0.77 0.06 0.16 1.33 0.02 0.00 0.00 175.30 177.64 1cr7 n VAL 202 N 3.93 0.00 -4.29 3.52 0.24 -0.04 -3.72 118.33 117.97 1cr7 n VAL 202 Ca -0.19 -2.24 -0.18 0.00 -2.04 0.00 0.00 64.34 59.69 1cr7 n VAL 202 Cb 0.52 0.85 -0.13 0.00 -1.47 0.00 0.00 33.84 33.61 1cr7 n VAL 202 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1cr7 s LYS 203 N -3.43 0.78 0.14 7.34 1.02 0.06 -0.75 119.74 124.91 1cr7 s LYS 203 Ca 0.22 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.64 1cr7 s LYS 203 Cb 0.01 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1cr7 s LYS 203 CO 0.16 0.18 0.13 -0.06 -0.92 0.00 0.00 175.35 174.85 1cr7 s PHE 204 N -0.75 3.19 -1.40 3.18 0.40 -1.26 -2.11 117.98 119.22 1cr7 s PHE 204 Ca -0.00 0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1cr7 s PHE 204 Cb -0.07 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.91 1cr7 s PHE 204 CO 0.01 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.86 1cr7 n GLY 205 N -0.17 -1.15 3.30 4.36 0.00 -0.41 -1.61 105.19 109.50 1cr7 n GLY 205 Ca -0.08 -0.89 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.00 1.60 0.09 1.61 0.40 -0.56 -0.03 117.98 118.09 1cr7 s PHE 206 Ca 0.00 -0.55 -0.13 0.00 -0.60 0.00 0.00 56.93 55.65 1cr7 s PHE 206 Cb 0.00 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.75 1cr7 s PHE 206 CO 0.00 0.25 0.32 0.45 0.70 0.00 0.00 175.22 176.94 1cr7 s SER 207 N -2.80 -0.10 -0.01 1.36 0.15 -0.80 -1.90 113.70 109.58 1cr7 s SER 207 Ca 0.15 -0.38 -0.29 0.00 0.70 0.00 0.00 55.95 56.14 1cr7 s SER 207 Cb -0.03 0.40 0.08 0.00 -1.71 0.00 0.00 66.02 64.76 1cr7 s SER 207 CO 0.05 -0.75 0.75 0.00 1.20 0.00 0.00 173.24 174.48 1cr7 s ALA 208 N -3.48 -1.77 0.29 5.45 0.00 -1.01 -1.15 121.76 120.09 1cr7 s ALA 208 Ca 0.01 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1cr7 s ALA 208 Cb 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1cr7 s ALA 208 CO -0.09 -0.50 0.28 -1.54 0.00 0.00 0.00 175.76 173.91 1cr7 s SER 209 N -1.72 0.97 0.33 0.00 1.04 -1.24 -2.35 113.70 110.73 1cr7 s SER 209 Ca -0.04 -1.55 -0.09 0.00 0.48 0.00 0.00 55.95 54.75 1cr7 s SER 209 Cb -0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1cr7 s SER 209 CO 0.00 -1.04 0.58 -0.83 0.98 0.00 0.00 173.24 172.93 1cr7 s GLY 210 N -3.26 0.90 0.00 7.32 0.00 -0.93 -1.43 107.32 109.93 1cr7 s GLY 210 Ca 0.37 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1cr7 s GLY 210 CO 0.20 -0.69 0.00 -1.14 0.00 0.00 0.00 173.10 171.48 1cr7 n SER 211 N -1.16 0.00 -0.06 1.64 3.41 0.15 -1.38 113.62 116.22 1cr7 n SER 211 Ca -0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.55 1cr7 n SER 211 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.00 -0.86 1.04 6.46 -1.93 -1.26 115.31 118.77 1cr7 h LEU 212 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1cr7 h LEU 212 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1cr7 h LEU 212 CO 0.00 0.61 -0.12 0.61 -0.62 0.00 0.00 178.44 178.92 1cr7 n GLY 213 N 1.65 -0.15 3.08 3.75 0.00 -1.26 -4.81 105.19 107.45 1cr7 n GLY 213 Ca -0.05 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.21 1.53 0.00 -0.02 0.00 -1.26 -1.52 107.32 103.84 1cr7 s GLY 214 Ca 0.31 -1.52 -0.21 0.00 0.00 0.00 0.00 44.72 43.31 1cr7 s GLY 214 CO 0.41 0.49 0.46 0.50 0.00 0.00 0.00 173.10 174.96 1cr7 s ARG 215 N 1.19 0.89 -0.02 2.90 0.52 -0.09 0.33 118.95 124.68 1cr7 s ARG 215 Ca -0.03 -0.13 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 1cr7 s ARG 215 Cb -0.17 0.40 0.10 0.00 0.52 0.00 0.00 34.95 35.81 1cr7 s ARG 215 CO -0.08 -0.28 0.89 1.14 0.02 0.00 0.00 175.30 176.99 1cr7 s GLN 216 N -1.78 0.81 0.20 3.54 -2.07 -1.17 -4.07 119.66 115.12 1cr7 s GLN 216 Ca -0.09 -0.27 -0.30 0.00 -1.82 0.00 0.00 55.36 52.88 1cr7 s GLN 216 Cb -0.02 0.37 -0.08 0.00 -1.09 0.00 0.00 33.01 32.19 1cr7 s GLN 216 CO 0.03 -0.35 1.24 0.42 -1.32 0.00 0.00 175.29 175.32 1cr7 s ILE 217 N -2.97 3.39 -0.31 3.63 1.01 0.70 -4.87 121.20 121.77 1cr7 s ILE 217 Ca 0.04 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1cr7 s ILE 217 Cb -0.01 -3.75 0.10 0.00 0.01 0.00 0.00 42.46 38.81 1cr7 s ILE 217 CO -0.08 0.19 0.08 -1.00 0.00 0.00 0.00 174.94 174.13 1cr7 s HIS 218 N -0.07 2.18 -0.00 3.97 3.76 -1.26 -1.81 115.29 122.05 1cr7 s HIS 218 Ca 0.54 -2.02 0.04 0.00 -0.15 0.00 0.00 55.06 53.47 1cr7 s HIS 218 Cb -0.34 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 1cr7 s HIS 218 CO 0.38 -0.89 -0.11 -0.51 -0.85 0.00 0.00 174.74 172.76 1cr7 s LEU 219 N 1.45 2.94 -0.22 0.89 1.43 0.50 -0.67 118.68 124.99 1cr7 s LEU 219 Ca 0.10 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1cr7 s LEU 219 Cb -0.18 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1cr7 s LEU 219 CO -0.21 0.29 -0.01 -0.63 0.23 0.00 0.00 176.35 176.02 1cr7 s ILE 220 N -0.92 3.64 -0.13 -0.59 -1.09 -0.39 -0.90 121.20 120.83 1cr7 s ILE 220 Ca 0.15 -0.40 0.18 0.00 -2.23 0.00 0.00 60.65 58.35 1cr7 s ILE 220 Cb -0.11 -2.67 -0.22 0.00 -1.58 0.00 0.00 42.46 37.88 1cr7 s ILE 220 CO 0.05 0.40 0.48 0.54 -1.23 0.00 0.00 174.94 175.19 1cr7 n ARG 221 N 4.77 0.65 -3.67 2.79 1.74 0.21 -1.88 116.66 121.27 1cr7 n ARG 221 Ca -0.18 0.08 -0.07 0.00 -0.77 0.00 0.00 57.85 56.91 1cr7 n ARG 221 Cb 0.51 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 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 -5.49 -0.31 -0.30 0.55 1.04 -1.20 -4.40 113.70 103.58 1cr7 s SER 222 Ca -0.06 -0.31 -0.06 0.00 0.48 0.00 0.00 55.95 56.00 1cr7 s SER 222 Cb 0.09 0.56 0.18 0.00 0.10 0.00 0.00 66.02 66.95 1cr7 s SER 222 CO 0.84 -0.99 0.80 0.86 0.98 0.00 0.00 173.24 175.73 1cr7 s TRP 223 N -3.53 -1.13 0.09 5.02 -0.00 -0.68 -3.28 118.94 115.44 1cr7 s TRP 223 Ca 0.08 1.15 0.07 0.00 -0.00 0.00 0.00 56.10 57.40 1cr7 s TRP 223 Cb -0.03 0.38 -0.04 0.00 -0.00 0.00 0.00 33.47 33.79 1cr7 s TRP 223 CO -0.02 -0.62 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.67 1cr7 s SER 224 N 2.90 4.38 -0.21 5.86 1.04 -0.72 -1.20 113.70 125.75 1cr7 s SER 224 Ca 0.11 -0.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.91 1cr7 s SER 224 Cb -0.12 -0.85 0.08 0.00 0.10 0.00 0.00 66.02 65.23 1cr7 s SER 224 CO -0.17 0.20 0.75 0.12 0.98 0.00 0.00 173.24 175.11 1cr7 s PHE 225 N -1.17 -0.71 -0.13 5.02 5.36 -0.43 -2.14 117.98 123.79 1cr7 s PHE 225 Ca 0.20 1.58 -0.08 0.00 -0.96 0.00 0.00 56.93 57.68 1cr7 s PHE 225 Cb -0.11 0.32 0.05 0.00 -0.34 0.00 0.00 43.02 42.94 1cr7 s PHE 225 CO 0.12 -0.43 0.31 0.99 -1.46 0.00 0.00 175.22 174.76 1cr7 s THR 226 N -0.13 -0.02 0.09 0.12 2.01 -0.39 -1.12 115.64 116.19 1cr7 s THR 226 Ca -0.03 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1cr7 s THR 226 Cb -0.03 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1cr7 s THR 226 CO 0.03 0.04 -0.12 -0.94 -0.69 0.00 0.00 174.62 172.93 1cr7 s SER 227 N 1.00 1.59 -0.10 3.53 1.04 0.23 -0.43 113.70 120.57 1cr7 s SER 227 Ca -0.07 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 1cr7 s SER 227 Cb -0.08 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.07 1cr7 s SER 227 CO -0.07 -0.16 0.22 -0.89 0.98 0.00 0.00 173.24 173.31 1cr7 s THR 228 N -1.86 -0.13 -0.10 2.02 2.01 -0.14 -1.70 115.64 115.76 1cr7 s THR 228 Ca 0.02 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1cr7 s THR 228 Cb -0.07 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1cr7 s THR 228 CO 0.02 0.08 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.63 1cr7 s LEU 229 N 1.53 2.51 -0.10 4.42 2.96 0.01 -1.36 118.68 128.65 1cr7 s LEU 229 Ca -0.06 -0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 1cr7 s LEU 229 Cb -0.11 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1cr7 s LEU 229 CO -0.08 0.21 0.71 -0.63 -1.32 0.00 0.00 176.35 175.25 1cr7 s ILE 230 N 0.04 5.02 -1.04 6.68 1.09 -1.26 -0.36 121.20 131.36 1cr7 s ILE 230 Ca -0.06 1.44 -0.01 0.00 -1.10 0.00 0.00 60.65 60.91 1cr7 s ILE 230 Cb -0.15 -4.04 0.30 0.00 -1.06 0.00 0.00 42.46 37.51 1cr7 s ILE 230 CO 0.05 0.20 1.89 0.35 -0.10 0.00 0.00 174.94 177.33 1cr7 n THR 231 N 4.04 5.89 -0.30 2.92 -2.24 -1.26 -4.85 114.28 118.48 1cr7 n THR 231 Ca -0.00 -5.74 0.00 0.00 -2.27 0.00 0.00 64.05 56.04 1cr7 n THR 231 Cb 0.51 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1cr7 n THR 231 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57