#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq0 n PRO 2 N 0.00 1.70 0.02 1.57 -0.04 -1.26 -4.39 135.00 132.60 1sq0 n PRO 2 Ca 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1sq0 n PRO 2 Cb 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1sq0 n PRO 2 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1sq0 n ILE 3 N 0.32 0.45 -3.82 0.52 5.41 -1.26 -5.09 119.36 115.88 1sq0 n ILE 3 Ca 0.14 0.15 -0.21 0.00 1.00 0.00 0.00 62.75 63.83 1sq0 n ILE 3 Cb 0.29 -1.47 -0.02 0.00 -0.71 0.00 0.00 39.64 37.73 1sq0 n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sq0 s GLU 5 N -4.02 4.28 -0.10 0.00 2.12 -0.66 -4.48 118.70 115.84 1sq0 s GLU 5 Ca 0.38 0.50 -0.00 0.00 0.36 0.00 0.00 54.97 56.21 1sq0 s GLU 5 Cb -0.09 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1sq0 s GLU 5 CO 0.29 -0.02 -0.08 0.08 -0.54 0.00 0.00 175.26 174.99 1sq0 s VAL 6 N 1.19 3.56 -0.25 3.70 1.01 -1.26 -1.15 120.40 127.20 1sq0 s VAL 6 Ca 0.27 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1sq0 s VAL 6 Cb -0.16 -2.49 0.14 0.00 0.00 0.00 0.00 36.38 33.88 1sq0 s VAL 6 CO 0.11 0.55 0.43 -0.94 0.00 0.00 0.00 175.10 175.25 1sq0 s SER 7 N -0.22 -0.16 -0.05 3.32 1.04 -0.80 -5.03 113.70 111.80 1sq0 s SER 7 Ca 0.03 0.42 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 1sq0 s SER 7 Cb -0.13 1.37 -0.02 0.00 0.10 0.00 0.00 66.02 67.34 1sq0 s SER 7 CO 0.03 -0.29 1.00 -1.59 0.98 0.00 0.00 173.24 173.37 1sq0 s LYS 8 N 2.62 4.49 -0.35 4.02 0.00 -1.26 -2.74 119.74 126.51 1sq0 s LYS 8 Ca 0.14 1.42 0.03 0.00 0.00 0.00 0.00 55.97 57.55 1sq0 s LYS 8 Cb -0.15 -3.50 0.10 0.00 0.00 0.00 0.00 37.83 34.28 1sq0 s LYS 8 CO -0.17 -0.19 0.08 0.08 0.00 0.00 0.00 175.35 175.16 1sq0 s VAL 9 N 1.53 2.02 0.00 1.79 1.01 0.66 -4.99 120.40 122.41 1sq0 s VAL 9 Ca 0.50 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1sq0 s VAL 9 Cb -0.20 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1sq0 s VAL 9 CO 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 175.10 174.69 1sq0 n ALA 10 N 4.24 0.00 0.51 5.51 0.00 -1.26 -1.55 120.51 127.95 1sq0 n ALA 10 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.49 1sq0 n ALA 10 Cb 0.41 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.97 1sq0 n ALA 10 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sq0 n SER 11 N 5.81 2.26 -4.19 0.00 3.41 -1.26 -4.82 113.62 114.83 1sq0 n SER 11 Ca 0.00 -2.25 -0.27 0.00 -0.26 0.00 0.00 58.87 56.09 1sq0 n SER 11 Cb 0.00 -0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 63.25 1sq0 n SER 11 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1sq0 s HIS 12 N -1.49 1.84 -0.32 7.33 0.09 -0.59 -5.04 115.29 117.11 1sq0 s HIS 12 Ca 0.15 -0.42 -0.01 0.00 -0.00 0.00 0.00 55.06 54.77 1sq0 s HIS 12 Cb 0.11 -1.20 0.06 0.00 -0.00 0.00 0.00 32.58 31.55 1sq0 s HIS 12 CO 0.04 -0.09 0.03 -1.17 -0.00 0.00 0.00 174.74 173.56 1sq0 s LEU 13 N -0.29 4.15 -0.20 0.89 2.96 -1.26 -0.24 118.68 124.67 1sq0 s LEU 13 Ca 0.03 -1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 52.39 1sq0 s LEU 13 Cb -0.09 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1sq0 s LEU 13 CO 0.01 -0.31 0.15 -0.70 -1.32 0.00 0.00 176.35 174.18 1sq0 s GLU 14 N 1.21 4.18 -0.20 1.98 2.12 -1.11 -1.45 118.70 125.43 1sq0 s GLU 14 Ca -0.02 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1sq0 s GLU 14 Cb -0.20 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.77 1sq0 s GLU 14 CO -0.02 0.27 -0.15 0.08 -0.54 0.00 0.00 175.26 174.90 1sq0 s VAL 15 N 0.45 2.38 -0.30 3.70 1.01 0.11 -1.91 120.40 125.85 1sq0 s VAL 15 Ca 0.09 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1sq0 s VAL 15 Cb -0.11 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 1sq0 s VAL 15 CO -0.01 0.41 0.11 0.21 0.00 0.00 0.00 175.10 175.82 1sq0 s ASN 16 N 1.30 5.30 -0.22 3.32 3.84 -0.30 -0.58 114.94 127.61 1sq0 s ASN 16 Ca 0.03 -0.59 0.12 0.00 0.21 0.00 0.00 52.86 52.63 1sq0 s ASN 16 Cb -0.14 -1.94 0.44 0.00 -0.55 0.00 0.00 41.25 39.06 1sq0 s ASN 16 CO -0.09 -0.18 1.20 0.00 -2.79 0.00 0.00 177.10 175.24 1sq0 s ASP 18 N -3.28 6.61 -1.02 0.00 1.01 -1.21 -3.86 116.67 114.94 1sq0 s ASP 18 Ca 0.41 2.74 -0.24 0.00 0.71 0.00 0.00 52.55 56.17 1sq0 s ASP 18 Cb 0.38 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.71 1sq0 s ASP 18 CO -0.04 -0.71 0.60 0.29 0.21 0.00 0.00 175.17 175.51 1sq0 n LYS 19 N 1.91 -0.57 -0.20 8.23 5.02 -0.60 -4.85 118.16 127.10 1sq0 n LYS 19 Ca 0.05 0.18 0.06 0.00 -2.02 0.00 0.00 58.31 56.58 1sq0 n LYS 19 Cb 0.40 -2.10 0.15 0.00 -0.02 0.00 0.00 35.03 33.46 1sq0 n LYS 19 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sq0 n ARG 20 N -4.13 2.86 -1.83 1.97 5.12 -1.25 -4.95 116.66 114.46 1sq0 n ARG 20 Ca -0.15 -2.13 -0.18 0.00 -1.93 0.00 0.00 57.85 53.46 1sq0 n ARG 20 Cb 0.55 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 30.46 1sq0 n ARG 20 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1sq0 n ASP 21 N 0.19 -5.16 -4.76 0.55 10.43 -1.26 -4.95 116.55 111.59 1sq0 n ASP 21 Ca 0.12 0.27 -0.40 0.00 2.57 0.00 0.00 54.79 57.34 1sq0 n ASP 21 Cb 0.49 -4.23 -0.03 0.00 1.84 0.00 0.00 41.12 39.19 1sq0 n ASP 21 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1sq0 s LEU 22 N -4.44 4.46 0.00 0.64 1.43 -1.26 -4.59 118.68 114.92 1sq0 s LEU 22 Ca 0.00 2.44 0.10 0.00 -1.03 0.00 0.00 54.13 55.64 1sq0 s LEU 22 Cb 0.00 -3.68 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 1sq0 s LEU 22 CO 0.00 -0.35 0.61 0.35 0.23 0.00 0.00 176.35 177.19 1sq0 n THR 23 N 0.91 0.00 -3.45 5.49 -2.24 -1.26 0.67 114.28 114.40 1sq0 n THR 23 Ca -0.00 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1sq0 n THR 23 Cb 0.44 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1sq0 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sq0 s ALA 24 N -1.40 -1.66 0.14 6.98 0.00 -1.26 -4.56 121.76 120.00 1sq0 s ALA 24 Ca 0.08 0.69 -0.33 0.00 0.00 0.00 0.00 51.96 52.40 1sq0 s ALA 24 Cb 0.08 0.68 -0.13 0.00 0.00 0.00 0.00 23.12 23.75 1sq0 s ALA 24 CO 0.26 -0.70 1.66 -0.11 0.00 0.00 0.00 175.76 176.88 1sq0 n LEU 25 N -0.17 3.38 -4.77 0.00 7.94 -1.26 -4.92 117.00 117.21 1sq0 n LEU 25 Ca -0.16 1.06 -0.41 0.00 -1.11 0.00 0.00 56.01 55.39 1sq0 n LEU 25 Cb 0.63 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.11 1sq0 n LEU 25 CO 0.14 -0.14 1.04 -2.84 -1.11 0.00 0.00 177.39 174.48 1sq0 s PRO 26 N 1.51 4.28 0.54 1.96 0.02 -1.26 -5.00 135.00 137.05 1sq0 s PRO 26 Ca 0.80 2.32 -0.07 0.00 0.02 0.00 0.00 61.00 64.06 1sq0 s PRO 26 Cb -0.63 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 30.80 1sq0 s PRO 26 CO 0.38 -0.32 0.88 -1.25 -0.33 0.00 0.00 177.00 176.37 1sq0 s PRO 27 N -1.52 3.52 -1.07 5.54 0.04 -1.26 -4.33 135.00 135.91 1sq0 s PRO 27 Ca 0.52 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.90 1sq0 s PRO 27 Cb -0.42 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 31.87 1sq0 s PRO 27 CO 0.53 -0.37 0.93 -0.25 0.04 0.00 0.00 177.00 177.87 1sq0 n ASP 28 N -2.46 -4.65 -4.77 6.66 8.00 -1.26 -4.99 116.55 113.07 1sq0 n ASP 28 Ca 0.03 -0.46 -0.38 0.00 0.71 0.00 0.00 54.79 54.69 1sq0 n ASP 28 Cb 0.55 -4.20 -0.06 0.00 -0.02 0.00 0.00 41.12 37.39 1sq0 n ASP 28 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sq0 s LEU 29 N -5.97 4.41 0.11 0.64 1.43 -1.26 -4.93 118.68 113.11 1sq0 s LEU 29 Ca 0.35 1.97 -0.35 0.00 -1.03 0.00 0.00 54.13 55.08 1sq0 s LEU 29 Cb -0.16 -3.89 -0.17 0.00 0.03 0.00 0.00 46.19 42.00 1sq0 s LEU 29 CO 0.59 -0.11 1.02 -0.81 0.23 0.00 0.00 176.35 177.28 1sq0 n PRO 30 N 0.76 0.54 0.31 1.29 -0.04 -1.26 -4.81 135.00 131.79 1sq0 n PRO 30 Ca 0.01 0.19 0.19 0.00 -0.04 0.00 0.00 63.50 63.86 1sq0 n PRO 30 Cb 0.48 -1.61 1.03 0.00 -0.04 0.00 0.00 33.50 33.37 1sq0 n PRO 30 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1sq0 h LYS 31 N 2.89 0.00 -0.61 0.54 1.79 -1.94 -2.49 116.57 116.75 1sq0 h LYS 31 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1sq0 h LYS 31 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1sq0 h LYS 31 CO 0.66 0.02 0.00 -0.25 -1.08 0.00 0.00 179.45 178.80 1sq0 n ASP 32 N -3.31 3.45 -4.68 0.86 10.43 -1.26 -4.50 116.55 117.54 1sq0 n ASP 32 Ca -0.02 -2.13 -0.51 0.00 2.57 0.00 0.00 54.79 54.70 1sq0 n ASP 32 Cb 0.13 -0.44 -0.05 0.00 1.84 0.00 0.00 41.12 42.59 1sq0 n ASP 32 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1sq0 n THR 33 N 1.11 0.34 0.03 -3.53 -1.04 -0.94 -4.57 114.28 105.69 1sq0 n THR 33 Ca 0.20 -0.06 0.06 0.00 -2.04 0.00 0.00 64.05 62.21 1sq0 n THR 33 Cb 0.59 -1.52 -0.09 0.00 -1.82 0.00 0.00 70.33 67.49 1sq0 n THR 33 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sq0 n THR 34 N 4.41 0.00 -3.68 12.58 -2.24 -0.53 -2.29 114.28 122.54 1sq0 n THR 34 Ca 0.22 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 1sq0 n THR 34 Cb 0.24 0.30 -0.18 0.00 -2.10 0.00 0.00 70.33 68.58 1sq0 n THR 34 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sq0 s ILE 35 N -2.73 -0.10 -0.13 2.28 1.01 -0.86 -0.93 121.20 119.73 1sq0 s ILE 35 Ca -0.04 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1sq0 s ILE 35 Cb 0.07 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.42 1sq0 s ILE 35 CO 0.47 0.17 -0.17 -0.22 0.00 0.00 0.00 174.94 175.19 1sq0 s LEU 36 N 2.03 1.85 -0.29 2.97 2.96 -0.88 0.05 118.68 127.37 1sq0 s LEU 36 Ca 0.03 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1sq0 s LEU 36 Cb -0.12 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.33 1sq0 s LEU 36 CO -0.03 0.02 0.11 -1.00 -1.32 0.00 0.00 176.35 174.13 1sq0 s HIS 37 N 1.05 3.15 -0.04 5.38 3.76 0.26 -1.61 115.29 127.24 1sq0 s HIS 37 Ca -0.04 -0.74 0.06 0.00 -0.15 0.00 0.00 55.06 54.19 1sq0 s HIS 37 Cb -0.15 -2.29 0.09 0.00 1.11 0.00 0.00 32.58 31.34 1sq0 s HIS 37 CO -0.04 -0.50 1.03 1.28 -0.85 0.00 0.00 174.74 175.66 1sq0 n LEU 38 N 4.92 2.00 -4.63 0.89 4.77 -0.01 0.40 117.00 125.34 1sq0 n LEU 38 Ca -0.14 -2.25 -0.36 0.00 -0.03 0.00 0.00 56.01 53.23 1sq0 n LEU 38 Cb 0.49 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1sq0 n LEU 38 CO 0.32 0.54 0.60 -1.54 -1.33 0.00 0.00 177.39 175.98 1sq0 n SER 39 N -0.77 0.69 -3.80 -1.43 3.41 -1.12 -3.69 113.62 106.91 1sq0 n SER 39 Ca 0.05 0.67 -0.26 0.00 -0.26 0.00 0.00 58.87 59.07 1sq0 n SER 39 Cb 0.39 -1.43 0.01 0.00 -0.26 0.00 0.00 64.21 62.92 1sq0 n SER 39 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sq0 n GLU 40 N -2.03 -3.11 -4.59 4.33 1.02 -0.65 -1.56 120.64 114.06 1sq0 n GLU 40 Ca 0.13 0.48 -0.27 0.00 -0.02 0.00 0.00 57.16 57.49 1sq0 n GLU 40 Cb 0.49 -4.60 -0.09 0.00 -0.02 0.00 0.00 31.44 27.22 1sq0 n GLU 40 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sq0 s ASN 41 N -4.10 3.26 -1.08 1.62 0.01 -1.24 -2.85 114.94 110.55 1sq0 s ASN 41 Ca 0.14 -1.54 -0.02 0.00 -0.71 0.00 0.00 52.86 50.73 1sq0 s ASN 41 Cb -0.05 0.19 0.26 0.00 0.41 0.00 0.00 41.25 42.06 1sq0 s ASN 41 CO 0.86 -0.74 2.01 0.18 -1.51 0.00 0.00 177.10 177.91 1sq0 n LEU 42 N -0.96 7.54 -4.40 0.60 4.77 0.21 -3.87 117.00 120.90 1sq0 n LEU 42 Ca -0.08 -5.19 -0.44 0.00 -0.03 0.00 0.00 56.01 50.26 1sq0 n LEU 42 Cb 0.66 -1.22 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1sq0 n LEU 42 CO 0.41 2.03 0.06 -0.76 -1.33 0.00 0.00 177.39 177.80 1sq0 s LEU 43 N -3.68 5.55 0.39 2.23 1.43 -1.24 -4.07 118.68 119.29 1sq0 s LEU 43 Ca 0.44 -1.27 0.23 0.00 -1.03 0.00 0.00 54.13 52.50 1sq0 s LEU 43 Cb 0.21 -2.21 0.32 0.00 0.03 0.00 0.00 46.19 44.54 1sq0 s LEU 43 CO -0.14 -0.67 1.54 1.88 0.23 0.00 0.00 176.35 179.19 1sq0 h TYR 44 N 8.78 0.00 -3.22 0.29 -1.99 -1.82 -0.78 116.97 118.22 1sq0 h TYR 44 Ca -0.28 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.35 1sq0 h TYR 44 Cb 1.11 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.66 1sq0 h TYR 44 CO 0.65 0.00 -0.25 -0.08 -0.00 0.00 0.00 178.16 178.48 1sq0 s THR 45 N -3.22 0.08 -0.12 -2.88 -1.32 -1.26 -0.80 115.64 106.11 1sq0 s THR 45 Ca 0.06 -0.62 -0.18 0.00 -1.21 0.00 0.00 61.69 59.74 1sq0 s THR 45 Cb 0.06 -0.86 0.04 0.00 -1.51 0.00 0.00 72.50 70.24 1sq0 s THR 45 CO 0.68 -0.34 0.46 0.12 -2.21 0.00 0.00 174.62 173.33 1sq0 s PHE 46 N -2.24 -0.45 -0.14 9.09 5.36 -1.03 -4.99 117.98 123.58 1sq0 s PHE 46 Ca -0.07 1.01 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 1sq0 s PHE 46 Cb -0.02 0.19 0.02 0.00 -0.34 0.00 0.00 43.02 42.86 1sq0 s PHE 46 CO -0.01 -0.33 -0.17 0.45 -1.46 0.00 0.00 175.22 173.70 1sq0 s SER 47 N -0.30 2.77 0.41 6.13 0.15 -1.26 -0.51 113.70 121.09 1sq0 s SER 47 Ca -0.05 -0.52 0.09 0.00 0.70 0.00 0.00 55.95 56.17 1sq0 s SER 47 Cb -0.03 -1.26 0.87 0.00 -1.71 0.00 0.00 66.02 63.89 1sq0 s SER 47 CO 0.03 0.01 2.01 -0.07 1.20 0.00 0.00 173.24 176.42 1sq0 h LEU 48 N 7.66 0.33 -1.65 3.45 3.38 -1.74 -2.76 115.31 123.99 1sq0 h LEU 48 Ca -0.36 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.73 1sq0 h LEU 48 Cb 1.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1sq0 h LEU 48 CO 0.54 0.32 0.48 0.00 0.09 0.00 0.00 178.44 179.87 1sq0 h ALA 49 N 1.73 2.17 0.00 1.53 0.00 -1.81 -0.52 119.26 122.36 1sq0 h ALA 49 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sq0 h ALA 49 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sq0 h ALA 49 CO -0.01 -0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.13 1sq0 n THR 50 N -4.46 0.84 0.79 0.00 -2.24 -1.04 -1.59 114.28 106.58 1sq0 n THR 50 Ca 0.13 0.21 0.09 0.00 -2.27 0.00 0.00 64.05 62.21 1sq0 n THR 50 Cb 0.53 -1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 67.63 1sq0 n THR 50 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sq0 n LEU 51 N -1.26 1.62 -0.21 3.22 4.77 -0.20 -4.53 117.00 120.40 1sq0 n LEU 51 Ca 0.03 -0.73 0.21 0.00 -0.03 0.00 0.00 56.01 55.49 1sq0 n LEU 51 Cb 0.04 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.70 1sq0 n LEU 51 CO 0.04 0.31 1.23 0.24 -1.33 0.00 0.00 177.39 177.88 1sq0 h MET 52 N 1.72 0.29 -0.06 3.23 2.86 -1.41 0.18 114.93 121.73 1sq0 h MET 52 Ca 0.00 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1sq0 h MET 52 Cb 0.58 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1sq0 h MET 52 CO 0.00 0.19 0.07 -1.35 1.06 0.00 0.00 176.91 176.88 1sq0 h PRO 53 N 0.30 0.00 -3.86 -0.22 0.11 -1.81 -3.28 132.00 123.23 1sq0 h PRO 53 Ca 0.45 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.79 1sq0 h PRO 53 Cb 1.27 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.17 1sq0 h PRO 53 CO -0.13 0.00 1.23 0.66 -0.21 0.00 0.00 178.00 179.55 1sq0 n TYR 54 N -3.85 4.08 0.07 0.65 4.02 0.05 -4.83 117.16 117.35 1sq0 n TYR 54 Ca -0.01 -3.21 0.00 0.00 -0.01 0.00 0.00 57.90 54.67 1sq0 n TYR 54 Cb 0.16 -1.86 0.01 0.00 -0.02 0.00 0.00 39.34 37.63 1sq0 n TYR 54 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1sq0 n THR 55 N 3.30 0.00 0.09 -0.72 -2.24 -1.24 -1.55 114.28 111.92 1sq0 n THR 55 Ca 0.33 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.12 1sq0 n THR 55 Cb 0.39 -0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1sq0 n THR 55 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1sq0 n ARG 56 N -0.72 2.89 -1.73 -0.78 3.00 -1.26 -4.90 116.66 113.16 1sq0 n ARG 56 Ca 0.00 -0.31 -0.42 0.00 -0.00 0.00 0.00 57.85 57.12 1sq0 n ARG 56 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 32.46 31.62 1sq0 n ARG 56 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1sq0 s LEU 57 N -1.15 4.40 0.00 6.15 2.96 -0.59 -4.25 118.68 126.19 1sq0 s LEU 57 Ca 0.02 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1sq0 s LEU 57 Cb 0.02 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1sq0 s LEU 57 CO 0.05 -1.00 0.00 0.35 -1.32 0.00 0.00 176.35 174.43 1sq0 n THR 58 N 4.87 0.00 -3.97 3.68 -2.24 -0.11 -3.15 114.28 113.37 1sq0 n THR 58 Ca 0.18 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1sq0 n THR 58 Cb 0.39 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 69.08 1sq0 n THR 58 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sq0 s GLN 59 N -1.69 0.22 -0.03 -0.78 -0.21 -0.97 -1.44 119.66 114.76 1sq0 s GLN 59 Ca 0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.35 1sq0 s GLN 59 Cb 0.00 -0.29 0.03 0.00 1.00 0.00 0.00 33.01 33.75 1sq0 s GLN 59 CO 0.00 -0.02 0.04 -1.17 -2.12 0.00 0.00 175.29 172.02 1sq0 s LEU 60 N 0.34 0.65 -0.27 2.90 2.96 -0.15 -2.08 118.68 123.02 1sq0 s LEU 60 Ca -0.03 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1sq0 s LEU 60 Cb -0.06 -0.11 0.03 0.00 0.50 0.00 0.00 46.19 46.55 1sq0 s LEU 60 CO -0.01 -0.18 -0.02 0.20 -1.32 0.00 0.00 176.35 175.02 1sq0 s ASN 61 N 1.58 4.61 -0.17 3.68 0.02 -0.63 -2.15 114.94 121.88 1sq0 s ASN 61 Ca -0.03 -0.93 0.14 0.00 -1.02 0.00 0.00 52.86 51.02 1sq0 s ASN 61 Cb -0.13 -1.72 0.38 0.00 0.02 0.00 0.00 41.25 39.80 1sq0 s ASN 61 CO -0.03 -0.17 1.19 0.18 0.02 0.00 0.00 177.10 178.29 1sq0 n LEU 62 N 4.70 2.48 -4.81 0.60 4.77 -0.34 -0.83 117.00 123.57 1sq0 n LEU 62 Ca -0.15 -3.54 -0.32 0.00 -0.03 0.00 0.00 56.01 51.97 1sq0 n LEU 62 Cb 0.46 -0.47 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1sq0 n LEU 62 CO 0.28 1.15 0.71 1.51 -1.33 0.00 0.00 177.39 179.71 1sq0 s ASP 63 N -3.04 5.72 -1.35 -1.43 -4.77 -1.03 -4.23 116.67 106.54 1sq0 s ASP 63 Ca 0.35 1.74 -0.01 0.00 -3.30 0.00 0.00 52.55 51.33 1sq0 s ASP 63 Cb 0.34 -2.52 0.01 0.00 -1.09 0.00 0.00 42.92 39.66 1sq0 s ASP 63 CO -0.05 -1.21 0.65 0.54 0.70 0.00 0.00 175.17 175.81 1sq0 n ARG 64 N -2.34 -4.54 0.00 2.11 1.74 -0.44 -1.63 116.66 111.55 1sq0 n ARG 64 Ca 0.08 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 1sq0 n ARG 64 Cb 0.53 -5.04 0.00 0.00 -1.02 0.00 0.00 32.46 26.93 1sq0 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sq0 n GLU 66 N 0.00 1.81 -1.79 0.00 -0.58 -1.00 -4.69 120.64 114.39 1sq0 n GLU 66 Ca 0.00 -3.37 -0.42 0.00 -0.42 0.00 0.00 57.16 52.95 1sq0 n GLU 66 Cb 0.00 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.22 1sq0 n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1sq0 s LEU 67 N -3.10 4.23 0.00 -4.62 1.43 -0.33 -3.86 118.68 112.42 1sq0 s LEU 67 Ca 0.40 2.36 0.07 0.00 -1.03 0.00 0.00 54.13 55.93 1sq0 s LEU 67 Cb 0.38 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 43.01 1sq0 s LEU 67 CO -0.06 -1.16 0.36 0.35 0.23 0.00 0.00 176.35 176.07 1sq0 n THR 68 N 5.90 0.00 -3.67 5.49 -2.24 0.02 -0.63 114.28 119.15 1sq0 n THR 68 Ca 0.20 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 1sq0 n THR 68 Cb 0.42 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1sq0 n THR 68 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1sq0 s LYS 69 N -1.57 0.67 -0.10 -0.78 2.20 -1.21 -4.70 119.74 114.25 1sq0 s LYS 69 Ca 0.03 0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 56.50 1sq0 s LYS 69 Cb 0.06 0.29 0.03 0.00 -1.51 0.00 0.00 37.83 36.69 1sq0 s LYS 69 CO 0.27 -0.09 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.94 1sq0 s LEU 70 N 0.52 1.02 -0.12 5.43 2.96 -1.26 -2.45 118.68 124.78 1sq0 s LEU 70 Ca -0.02 -0.24 -0.21 0.00 -0.22 0.00 0.00 54.13 53.44 1sq0 s LEU 70 Cb -0.05 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1sq0 s LEU 70 CO -0.02 -0.14 0.62 -1.10 -1.32 0.00 0.00 176.35 174.39 1sq0 s GLN 71 N 1.77 4.34 -0.83 1.98 -0.21 0.33 -5.00 119.66 122.05 1sq0 s GLN 71 Ca 0.05 0.69 -0.09 0.00 0.02 0.00 0.00 55.36 56.03 1sq0 s GLN 71 Cb -0.12 -3.49 0.21 0.00 1.00 0.00 0.00 33.01 30.61 1sq0 s GLN 71 CO -0.07 -0.01 0.74 0.08 -2.12 0.00 0.00 175.29 173.91 1sq0 s VAL 72 N 1.12 5.03 0.16 1.09 1.01 -1.26 -2.38 120.40 125.17 1sq0 s VAL 72 Ca 0.32 -2.93 0.08 0.00 0.00 0.00 0.00 61.98 59.46 1sq0 s VAL 72 Cb -0.16 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1sq0 s VAL 72 CO 0.14 -1.02 -0.18 1.51 0.00 0.00 0.00 175.10 175.54 1sq0 s ASP 73 N 1.35 2.62 0.86 3.32 3.84 -1.26 -5.00 116.67 122.40 1sq0 s ASP 73 Ca 0.21 -0.85 0.00 0.00 -0.00 0.00 0.00 52.55 51.91 1sq0 s ASP 73 Cb -0.12 -0.15 0.00 0.00 -1.38 0.00 0.00 42.92 41.27 1sq0 s ASP 73 CO -0.08 -0.04 0.00 0.61 -0.00 0.00 0.00 175.17 175.66 1sq0 n GLY 74 N 0.35 0.81 3.46 2.12 0.00 -1.26 -3.19 105.19 107.47 1sq0 n GLY 74 Ca -0.14 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1sq0 n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sq0 s THR 75 N 0.00 -0.00 -0.67 2.61 -4.23 -1.26 -4.52 115.64 107.56 1sq0 s THR 75 Ca 0.00 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.56 1sq0 s THR 75 Cb 0.00 -0.77 0.24 0.00 1.34 0.00 0.00 72.50 73.31 1sq0 s THR 75 CO 0.00 0.00 0.75 0.18 -0.54 0.00 0.00 174.62 175.01 1sq0 n LEU 76 N 2.81 3.81 0.23 4.79 4.77 -0.57 -4.80 117.00 128.04 1sq0 n LEU 76 Ca -0.14 -5.40 0.05 0.00 -0.03 0.00 0.00 56.01 50.49 1sq0 n LEU 76 Cb 0.56 -0.72 0.24 0.00 -2.33 0.00 0.00 43.42 41.18 1sq0 n LEU 76 CO 0.08 1.99 0.89 1.55 -1.33 0.00 0.00 177.39 180.58 1sq0 h PRO 77 N 4.42 0.00 -0.01 3.23 0.13 -1.94 -0.66 132.00 137.16 1sq0 h PRO 77 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1sq0 h PRO 77 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1sq0 h PRO 77 CO 0.85 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.90 1sq0 n VAL 78 N -2.22 0.02 -2.69 1.56 0.31 -1.26 -4.22 118.33 109.83 1sq0 n VAL 78 Ca -0.01 -0.51 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 1sq0 n VAL 78 Cb 0.63 1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 34.67 1sq0 n VAL 78 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1sq0 s LEU 79 N -0.63 4.26 0.00 7.52 2.96 -0.26 -4.32 118.68 128.21 1sq0 s LEU 79 Ca 0.09 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 1sq0 s LEU 79 Cb 0.06 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1sq0 s LEU 79 CO 0.09 -0.43 0.27 0.61 -1.32 0.00 0.00 176.35 175.57 1sq0 n GLY 80 N 3.08 -0.35 2.80 7.98 0.00 -0.52 -2.42 105.19 115.77 1sq0 n GLY 80 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1sq0 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sq0 s THR 81 N -0.44 0.40 -0.07 2.61 2.01 -0.97 -0.02 115.64 119.15 1sq0 s THR 81 Ca 0.00 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1sq0 s THR 81 Cb 0.00 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 72.03 1sq0 s THR 81 CO 0.00 0.24 0.05 -0.22 -0.69 0.00 0.00 174.62 174.00 1sq0 s LEU 82 N 1.62 0.29 -0.32 4.42 2.96 -0.64 -0.98 118.68 126.03 1sq0 s LEU 82 Ca -0.00 -0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 1sq0 s LEU 82 Cb -0.13 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.35 1sq0 s LEU 82 CO -0.04 -0.25 0.13 -0.62 -1.32 0.00 0.00 176.35 174.25 1sq0 s ASP 83 N 2.12 5.38 -0.02 3.68 -1.08 -0.91 -2.02 116.67 123.81 1sq0 s ASP 83 Ca 0.04 -0.79 0.04 0.00 -0.52 0.00 0.00 52.55 51.33 1sq0 s ASP 83 Cb -0.13 -1.94 0.09 0.00 -1.46 0.00 0.00 42.92 39.48 1sq0 s ASP 83 CO -0.04 -0.25 1.06 0.18 0.52 0.00 0.00 175.17 176.63 1sq0 n LEU 84 N 4.91 2.19 -4.74 -1.34 4.77 0.16 -1.20 117.00 121.75 1sq0 n LEU 84 Ca -0.13 -2.19 -0.37 0.00 -0.03 0.00 0.00 56.01 53.29 1sq0 n LEU 84 Cb 0.47 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 1sq0 n LEU 84 CO 0.33 0.56 0.88 -0.94 -1.33 0.00 0.00 177.39 176.89 1sq0 s SER 85 N -1.31 4.99 -0.84 -1.43 1.04 -1.08 -4.05 113.70 111.01 1sq0 s SER 85 Ca 0.08 2.52 -0.02 0.00 0.48 0.00 0.00 55.95 59.01 1sq0 s SER 85 Cb 0.06 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1sq0 s SER 85 CO 0.02 -1.74 0.72 1.41 0.98 0.00 0.00 173.24 174.63 1sq0 n HIS 86 N -1.63 -1.64 -3.95 5.02 8.25 0.11 -1.33 115.22 120.05 1sq0 n HIS 86 Ca 0.14 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 1sq0 n HIS 86 Cb 0.48 -3.93 0.00 0.00 1.12 0.00 0.00 29.99 27.67 1sq0 n HIS 86 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1sq0 n ASN 87 N -2.08 1.36 -1.33 0.41 4.13 -1.12 -3.55 115.26 113.08 1sq0 n ASN 87 Ca -0.12 -0.95 -0.08 0.00 1.68 0.00 0.00 54.58 55.11 1sq0 n ASN 87 Cb 0.59 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 39.01 1sq0 n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sq0 n GLN 88 N 0.00 1.97 -2.20 3.52 1.13 0.20 -4.23 117.38 117.76 1sq0 n GLN 88 Ca 0.00 -3.24 -0.42 0.00 -1.94 0.00 0.00 57.00 51.40 1sq0 n GLN 88 Cb 0.00 -1.88 -0.03 0.00 0.11 0.00 0.00 30.24 28.44 1sq0 n GLN 88 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sq0 s LEU 89 N -3.30 4.39 0.00 1.08 1.43 -1.19 -4.63 118.68 116.46 1sq0 s LEU 89 Ca 0.47 2.35 0.25 0.00 -1.03 0.00 0.00 54.13 56.17 1sq0 s LEU 89 Cb 0.42 -3.60 0.49 0.00 0.03 0.00 0.00 46.19 43.53 1sq0 s LEU 89 CO 0.00 -0.59 1.41 0.00 0.23 0.00 0.00 176.35 177.41 1sq0 n GLN 90 N 3.32 1.63 -3.64 1.70 6.02 -1.26 -0.80 117.38 124.35 1sq0 n GLN 90 Ca 0.09 -1.20 -0.13 0.00 -0.01 0.00 0.00 57.00 55.75 1sq0 n GLN 90 Cb 0.43 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 1sq0 n GLN 90 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1sq0 s SER 91 N -2.20 -0.33 0.06 1.08 1.04 -1.26 -4.40 113.70 107.69 1sq0 s SER 91 Ca 0.28 0.08 -0.30 0.00 0.48 0.00 0.00 55.95 56.49 1sq0 s SER 91 Cb 0.20 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 1sq0 s SER 91 CO 0.41 -0.66 1.09 -0.22 0.98 0.00 0.00 173.24 174.84 1sq0 s LEU 92 N -1.91 4.40 0.47 2.42 2.96 -1.26 -4.98 118.68 120.78 1sq0 s LEU 92 Ca -0.06 1.89 -0.21 0.00 -0.22 0.00 0.00 54.13 55.53 1sq0 s LEU 92 Cb -0.01 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.01 1sq0 s LEU 92 CO -0.01 -0.34 1.05 -2.84 -1.32 0.00 0.00 176.35 172.89 1sq0 s PRO 93 N 0.77 3.85 -0.43 0.98 0.02 -1.26 -4.96 135.00 133.97 1sq0 s PRO 93 Ca 0.54 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.79 1sq0 s PRO 93 Cb -0.26 -2.17 0.03 0.00 0.02 0.00 0.00 34.50 32.11 1sq0 s PRO 93 CO 0.30 -0.40 0.46 -0.51 -0.33 0.00 0.00 177.00 176.52 1sq0 s LEU 94 N -3.34 4.88 0.00 -5.54 1.43 -1.26 -4.92 118.68 109.92 1sq0 s LEU 94 Ca 0.66 -0.69 0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1sq0 s LEU 94 Cb -0.18 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1sq0 s LEU 94 CO 0.22 -0.61 0.60 0.18 0.23 0.00 0.00 176.35 176.97 1sq0 n LEU 95 N 5.65 1.06 -0.32 1.79 4.77 -1.26 -4.72 117.00 123.96 1sq0 n LEU 95 Ca -0.07 -0.70 0.24 0.00 -0.03 0.00 0.00 56.01 55.45 1sq0 n LEU 95 Cb 0.47 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 42.09 1sq0 n LEU 95 CO 0.47 0.22 1.22 1.23 -1.33 0.00 0.00 177.39 179.20 1sq0 h GLY 96 N 2.33 1.13 0.80 -0.72 0.00 -1.86 0.26 103.07 105.01 1sq0 h GLY 96 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1sq0 h GLY 96 CO 0.00 -0.13 -1.01 -1.06 0.00 0.00 0.00 176.54 174.33 1sq0 n GLN 97 N -4.60 0.43 -0.04 4.80 3.00 -1.26 -4.12 117.38 115.59 1sq0 n GLN 97 Ca 0.25 0.04 0.01 0.00 -0.01 0.00 0.00 57.00 57.30 1sq0 n GLN 97 Cb 0.91 -1.69 -0.14 0.00 0.00 0.00 0.00 30.24 29.33 1sq0 n GLN 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1sq0 n THR 98 N -2.26 0.52 -3.23 5.09 -1.04 -0.63 -4.72 114.28 108.01 1sq0 n THR 98 Ca 0.01 -0.55 -0.25 0.00 -2.04 0.00 0.00 64.05 61.22 1sq0 n THR 98 Cb 0.49 -0.20 -0.06 0.00 -1.82 0.00 0.00 70.33 68.73 1sq0 n THR 98 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sq0 n LEU 99 N -2.35 2.48 -0.24 -4.42 4.77 0.83 -1.51 117.00 116.56 1sq0 n LEU 99 Ca -0.14 -5.22 0.03 0.00 -0.03 0.00 0.00 56.01 50.65 1sq0 n LEU 99 Cb 0.73 -0.08 0.16 0.00 -2.33 0.00 0.00 43.42 41.89 1sq0 n LEU 99 CO 0.37 2.15 1.01 -0.65 -1.33 0.00 0.00 177.39 178.94 1sq0 h PRO 100 N 3.73 0.44 -0.12 3.23 0.11 -1.77 -2.64 132.00 134.98 1sq0 h PRO 100 Ca 0.14 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1sq0 h PRO 100 Cb 0.74 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1sq0 h PRO 100 CO 0.68 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1sq0 n ALA 101 N -2.49 2.52 -1.68 -0.75 0.00 -1.26 -4.48 120.51 112.37 1sq0 n ALA 101 Ca 0.12 -0.29 -0.46 0.00 0.00 0.00 0.00 53.44 52.81 1sq0 n ALA 101 Cb 0.35 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1sq0 n ALA 101 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sq0 n LEU 102 N -0.15 3.37 -0.01 0.00 7.94 -1.00 -4.23 117.00 122.92 1sq0 n LEU 102 Ca 0.10 1.03 0.01 0.00 -1.11 0.00 0.00 56.01 56.04 1sq0 n LEU 102 Cb 0.16 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.65 1sq0 n LEU 102 CO 0.07 -0.13 -0.57 0.35 -1.11 0.00 0.00 177.39 176.00 1sq0 n THR 103 N 4.20 0.07 -3.96 1.96 -2.24 0.97 -2.03 114.28 113.24 1sq0 n THR 103 Ca 0.19 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1sq0 n THR 103 Cb 0.30 0.08 -0.17 0.00 -2.10 0.00 0.00 70.33 68.45 1sq0 n THR 103 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sq0 s VAL 104 N -2.26 0.42 -0.07 2.28 1.01 0.48 -0.02 120.40 122.25 1sq0 s VAL 104 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1sq0 s VAL 104 Cb 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1sq0 s VAL 104 CO 0.18 0.23 -0.07 -0.22 0.00 0.00 0.00 175.10 175.21 1sq0 s LEU 105 N 1.36 1.31 -0.16 3.92 2.96 -0.67 -1.62 118.68 125.78 1sq0 s LEU 105 Ca -0.04 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1sq0 s LEU 105 Cb -0.13 -0.67 0.03 0.00 0.50 0.00 0.00 46.19 45.92 1sq0 s LEU 105 CO -0.02 -0.06 -0.10 -0.62 -1.32 0.00 0.00 176.35 174.23 1sq0 s ASP 106 N 1.16 2.79 -0.09 3.68 -1.08 -0.86 -0.66 116.67 121.61 1sq0 s ASP 106 Ca -0.06 -0.59 0.17 0.00 -0.52 0.00 0.00 52.55 51.55 1sq0 s ASP 106 Cb -0.14 -1.06 0.38 0.00 -1.46 0.00 0.00 42.92 40.64 1sq0 s ASP 106 CO -0.01 -0.12 1.17 0.52 0.52 0.00 0.00 175.17 177.25 1sq0 n VAL 107 N 4.81 1.01 -1.27 1.11 0.31 0.75 0.37 118.33 125.42 1sq0 n VAL 107 Ca -0.14 -1.90 -0.33 0.00 -0.01 0.00 0.00 64.34 61.96 1sq0 n VAL 107 Cb 0.49 0.38 0.11 0.00 -0.91 0.00 0.00 33.84 33.91 1sq0 n VAL 107 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1sq0 s SER 108 N -2.47 3.97 -1.11 4.52 0.01 -1.14 -4.06 113.70 113.42 1sq0 s SER 108 Ca 0.33 2.28 -0.21 0.00 1.31 0.00 0.00 55.95 59.66 1sq0 s SER 108 Cb 0.34 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.99 1sq0 s SER 108 CO -0.10 -2.41 0.77 0.49 0.41 0.00 0.00 173.24 172.40 1sq0 n PHE 109 N -3.08 -1.90 -1.36 2.43 3.01 0.25 -0.71 117.46 116.10 1sq0 n PHE 109 Ca 0.13 0.45 0.00 0.00 1.01 0.00 0.00 57.45 59.04 1sq0 n PHE 109 Cb 0.51 -3.36 0.00 0.00 -0.01 0.00 0.00 39.48 36.62 1sq0 n PHE 109 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1sq0 n ASN 110 N -2.58 0.00 -2.11 4.37 3.02 -1.26 -2.33 115.26 114.38 1sq0 n ASN 110 Ca -0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.32 1sq0 n ASN 110 Cb 0.59 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.80 1sq0 n ASN 110 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sq0 n ARG 111 N 0.00 2.71 -2.35 3.52 1.74 0.02 -4.74 116.66 117.55 1sq0 n ARG 111 Ca 0.00 -3.79 -0.43 0.00 -0.77 0.00 0.00 57.85 52.86 1sq0 n ARG 111 Cb 0.00 -1.91 -0.02 0.00 -1.02 0.00 0.00 32.46 29.50 1sq0 n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1sq0 s LEU 112 N -3.46 4.24 0.00 0.55 1.43 -1.24 -4.46 118.68 115.75 1sq0 s LEU 112 Ca 0.42 1.85 0.14 0.00 -1.03 0.00 0.00 54.13 55.51 1sq0 s LEU 112 Cb 0.38 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 43.15 1sq0 s LEU 112 CO -0.00 -0.73 0.92 0.35 0.23 0.00 0.00 176.35 177.11 1sq0 n THR 113 N 5.11 0.00 -3.64 5.49 -2.24 -1.26 -0.92 114.28 116.82 1sq0 n THR 113 Ca 0.13 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.43 1sq0 n THR 113 Cb 0.45 1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 69.94 1sq0 n THR 113 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sq0 s SER 114 N -1.26 -0.11 -0.06 3.42 1.04 -1.26 -4.39 113.70 111.07 1sq0 s SER 114 Ca 0.16 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1sq0 s SER 114 Cb 0.12 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1sq0 s SER 114 CO 0.20 -0.43 -0.18 -0.76 0.98 0.00 0.00 173.24 173.05 1sq0 s LEU 115 N -2.80 1.89 0.50 2.42 1.02 -1.26 -4.64 118.68 115.81 1sq0 s LEU 115 Ca 0.12 -0.40 -0.20 0.00 0.02 0.00 0.00 54.13 53.68 1sq0 s LEU 115 Cb 0.02 -1.06 -0.08 0.00 0.02 0.00 0.00 46.19 45.09 1sq0 s LEU 115 CO -0.03 0.13 1.05 -2.16 0.02 0.00 0.00 176.35 175.36 1sq0 s PRO 116 N 0.27 3.73 0.42 1.29 0.04 -1.26 -4.52 135.00 134.97 1sq0 s PRO 116 Ca -0.10 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 1sq0 s PRO 116 Cb -0.14 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1sq0 s PRO 116 CO 0.04 -0.49 1.46 -0.51 0.04 0.00 0.00 177.00 177.54 1sq0 s LEU 117 N -3.57 4.20 -1.89 -3.56 1.43 -1.26 -1.35 118.68 112.68 1sq0 s LEU 117 Ca 0.68 2.99 0.00 0.00 -1.03 0.00 0.00 54.13 56.77 1sq0 s LEU 117 Cb -0.17 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1sq0 s LEU 117 CO 0.21 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.35 1sq0 n GLY 118 N 0.52 0.46 0.34 -3.19 0.00 -1.26 -4.87 105.19 97.19 1sq0 n GLY 118 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1sq0 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sq0 h ALA 119 N 0.63 1.88 -0.42 4.61 0.00 -1.56 -2.88 119.26 121.52 1sq0 h ALA 119 Ca -0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1sq0 h ALA 119 Cb 1.34 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1sq0 h ALA 119 CO 0.58 0.02 0.05 1.28 0.00 0.00 0.00 179.25 181.19 1sq0 n LEU 120 N -4.47 4.68 -4.72 0.00 4.77 -1.26 -4.57 117.00 111.43 1sq0 n LEU 120 Ca 0.08 -3.16 -0.42 0.00 -0.03 0.00 0.00 56.01 52.48 1sq0 n LEU 120 Cb 0.25 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1sq0 n LEU 120 CO 0.34 0.77 1.34 -0.60 -1.33 0.00 0.00 177.39 177.92 1sq0 s ARG 121 N -2.92 4.15 0.00 3.23 3.00 -1.09 -1.99 118.95 123.33 1sq0 s ARG 121 Ca 0.47 2.53 0.00 0.00 -1.00 0.00 0.00 55.73 57.73 1sq0 s ARG 121 Cb 0.38 -3.17 0.00 0.00 0.00 0.00 0.00 34.95 32.16 1sq0 s ARG 121 CO 0.10 -0.72 0.00 0.41 0.00 0.00 0.00 175.30 175.08 1sq0 n GLY 122 N 3.95 1.47 1.88 8.12 0.00 -1.26 -3.75 105.19 115.60 1sq0 n GLY 122 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1sq0 n GLY 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq0 n LEU 123 N 0.00 6.42 0.12 0.99 4.77 -0.84 -4.72 117.00 123.74 1sq0 n LEU 123 Ca 0.00 -3.27 0.05 0.00 -0.03 0.00 0.00 56.01 52.77 1sq0 n LEU 123 Cb 0.00 -1.06 0.29 0.00 -2.33 0.00 0.00 43.42 40.31 1sq0 n LEU 123 CO 0.00 1.22 0.73 0.61 -1.33 0.00 0.00 177.39 178.62 1sq0 n GLY 124 N 0.42 -0.57 0.96 -0.72 0.00 -1.24 -1.10 105.19 102.94 1sq0 n GLY 124 Ca 0.29 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.51 1sq0 n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sq0 n GLU 125 N -1.89 2.19 -1.89 1.61 -0.58 -1.26 -4.57 120.64 114.25 1sq0 n GLU 125 Ca -0.01 -2.02 -0.42 0.00 -0.42 0.00 0.00 57.16 54.29 1sq0 n GLU 125 Cb 0.26 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1sq0 n GLU 125 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1sq0 s LEU 126 N -1.44 4.37 -0.06 -4.62 2.96 -0.26 -4.19 118.68 115.44 1sq0 s LEU 126 Ca 0.31 2.55 0.07 0.00 -0.22 0.00 0.00 54.13 56.84 1sq0 s LEU 126 Cb 0.19 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.21 1sq0 s LEU 126 CO 0.27 -0.90 0.06 0.00 -1.32 0.00 0.00 176.35 174.47 1sq0 n GLN 127 N 5.38 2.14 -4.43 1.98 6.02 0.98 -3.26 117.38 126.19 1sq0 n GLN 127 Ca 0.16 -0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.92 1sq0 n GLN 127 Cb 0.40 -1.19 -0.15 0.00 1.02 0.00 0.00 30.24 30.32 1sq0 n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1sq0 s GLU 128 N -2.27 0.98 -0.13 -1.09 2.02 -0.06 0.11 118.70 118.25 1sq0 s GLU 128 Ca -0.03 -0.34 -0.04 0.00 0.02 0.00 0.00 54.97 54.57 1sq0 s GLU 128 Cb 0.03 -0.92 0.06 0.00 0.10 0.00 0.00 34.13 33.40 1sq0 s GLU 128 CO 0.31 0.16 0.11 -1.17 0.02 0.00 0.00 175.26 174.68 1sq0 s LEU 129 N 0.05 0.18 -0.21 1.80 2.96 -0.37 -1.67 118.68 121.43 1sq0 s LEU 129 Ca -0.01 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1sq0 s LEU 129 Cb -0.07 -0.07 -0.00 0.00 0.50 0.00 0.00 46.19 46.54 1sq0 s LEU 129 CO 0.00 -0.31 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.33 1sq0 s TYR 130 N 2.19 2.91 -0.18 5.38 1.51 0.16 -1.54 117.35 127.78 1sq0 s TYR 130 Ca 0.04 -1.13 0.17 0.00 -1.01 0.00 0.00 57.07 55.13 1sq0 s TYR 130 Cb -0.15 -2.06 0.45 0.00 -0.11 0.00 0.00 41.96 40.10 1sq0 s TYR 130 CO -0.08 -0.62 1.18 1.28 -1.11 0.00 0.00 175.55 176.20 1sq0 n LEU 131 N 4.75 2.48 -4.76 -1.29 4.77 -0.33 -0.18 117.00 122.44 1sq0 n LEU 131 Ca -0.19 -3.38 -0.39 0.00 -0.03 0.00 0.00 56.01 52.02 1sq0 n LEU 131 Cb 0.51 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1sq0 n LEU 131 CO 0.28 1.23 0.81 -0.75 -1.33 0.00 0.00 177.39 177.64 1sq0 s LYS 132 N -2.54 4.45 0.00 3.23 2.20 -1.24 -3.94 119.74 121.89 1sq0 s LYS 132 Ca 0.37 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1sq0 s LYS 132 Cb 0.37 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1sq0 s LYS 132 CO -0.07 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 1sq0 n GLY 133 N 0.94 0.49 0.00 5.54 0.00 -0.60 0.86 105.19 112.41 1sq0 n GLY 133 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1sq0 n GLY 133 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sq0 n ASN 134 N 1.08 0.00 -1.73 1.61 4.13 -1.25 -4.15 115.26 114.95 1sq0 n ASN 134 Ca 0.00 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 1sq0 n ASN 134 Cb 0.00 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.30 1sq0 n ASN 134 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1sq0 n GLU 135 N 0.00 3.04 -2.14 3.52 1.02 -0.10 -4.24 120.64 121.73 1sq0 n GLU 135 Ca 0.00 -3.92 -0.42 0.00 -0.02 0.00 0.00 57.16 52.80 1sq0 n GLU 135 Cb 0.00 -2.07 -0.03 0.00 -0.02 0.00 0.00 31.44 29.32 1sq0 n GLU 135 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sq0 s LEU 136 N -3.48 4.36 -0.22 -4.62 1.43 -1.24 -4.57 118.68 110.35 1sq0 s LEU 136 Ca 0.47 2.33 -0.01 0.00 -1.03 0.00 0.00 54.13 55.88 1sq0 s LEU 136 Cb 0.40 -3.58 -0.20 0.00 0.03 0.00 0.00 46.19 42.84 1sq0 s LEU 136 CO 0.01 -0.69 -0.06 0.29 0.23 0.00 0.00 176.35 176.13 1sq0 n LYS 137 N 4.28 0.68 -4.14 1.70 5.02 -1.26 -0.60 118.16 123.85 1sq0 n LYS 137 Ca 0.12 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.47 1sq0 n LYS 137 Cb 0.42 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.78 1sq0 n LYS 137 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sq0 s THR 138 N -2.53 0.00 0.06 -0.18 -4.23 -1.26 -0.54 115.64 106.96 1sq0 s THR 138 Ca -0.31 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1sq0 s THR 138 Cb 0.08 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 1sq0 s THR 138 CO 0.65 0.00 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.75 1sq0 s LEU 139 N -3.17 2.20 0.47 4.79 1.43 -1.26 -4.67 118.68 118.47 1sq0 s LEU 139 Ca 0.33 -0.57 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 1sq0 s LEU 139 Cb 0.03 -0.99 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 1sq0 s LEU 139 CO 0.15 0.15 1.03 -2.16 0.23 0.00 0.00 176.35 175.75 1sq0 s PRO 140 N -1.36 3.87 0.41 1.29 0.04 -1.26 -4.77 135.00 133.21 1sq0 s PRO 140 Ca 0.08 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1sq0 s PRO 140 Cb -0.09 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1sq0 s PRO 140 CO 0.02 -0.37 1.28 -1.25 0.04 0.00 0.00 177.00 176.73 1sq0 s PRO 141 N -3.14 3.96 -0.23 0.56 0.04 -1.26 -2.89 135.00 132.04 1sq0 s PRO 141 Ca 0.66 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.80 1sq0 s PRO 141 Cb -0.17 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1sq0 s PRO 141 CO 0.20 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1sq0 n GLY 142 N 0.67 0.55 0.38 0.56 0.00 -1.26 -4.82 105.19 101.27 1sq0 n GLY 142 Ca 0.04 -0.35 0.16 0.00 0.00 0.00 0.00 46.02 45.86 1sq0 n GLY 142 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sq0 h LEU 143 N 0.00 0.59 -3.29 0.99 5.85 -1.88 -2.33 115.31 115.24 1sq0 h LEU 143 Ca -0.04 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1sq0 h LEU 143 Cb 0.28 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1sq0 h LEU 143 CO 0.06 0.24 0.00 0.18 -0.34 0.00 0.00 178.44 178.59 1sq0 n LEU 144 N -4.61 4.01 -0.06 2.25 4.77 -1.26 -4.54 117.00 117.56 1sq0 n LEU 144 Ca 0.21 -3.11 -0.12 0.00 -0.03 0.00 0.00 56.01 52.95 1sq0 n LEU 144 Cb 0.62 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1sq0 n LEU 144 CO 0.27 0.74 0.66 0.74 -1.33 0.00 0.00 177.39 178.47 1sq0 h THR 145 N 1.77 1.32 0.00 -5.08 2.02 -1.74 -3.12 112.91 108.07 1sq0 h THR 145 Ca 0.03 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 1sq0 h THR 145 Cb 1.51 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1sq0 h THR 145 CO 0.26 0.35 -0.02 -0.65 0.37 0.00 0.00 175.52 175.83 1sq0 h PRO 146 N 0.04 0.00 -2.42 6.66 0.11 -1.80 -3.31 132.00 131.29 1sq0 h PRO 146 Ca 0.04 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.48 1sq0 h PRO 146 Cb 0.58 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.32 1sq0 h PRO 146 CO 0.03 0.02 -0.14 0.25 -0.21 0.00 0.00 178.00 177.95 1sq0 n THR 147 N -3.18 3.39 0.25 -1.15 -2.24 -1.18 -3.62 114.28 106.55 1sq0 n THR 147 Ca -0.01 -5.48 0.10 0.00 -2.27 0.00 0.00 64.05 56.39 1sq0 n THR 147 Cb 0.19 -2.05 0.64 0.00 -2.10 0.00 0.00 70.33 67.01 1sq0 n THR 147 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1sq0 h PRO 148 N 4.51 0.00 -0.41 -0.78 0.11 -1.71 -3.03 132.00 130.68 1sq0 h PRO 148 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1sq0 h PRO 148 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1sq0 h PRO 148 CO 1.00 0.16 0.00 1.63 -0.21 0.00 0.00 178.00 180.58 1sq0 n LYS 149 N -3.78 1.90 -1.73 1.05 5.02 -1.26 -4.38 118.16 114.99 1sq0 n LYS 149 Ca -0.02 -1.15 -0.42 0.00 -2.02 0.00 0.00 58.31 54.70 1sq0 n LYS 149 Cb 0.26 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 1sq0 n LYS 149 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sq0 s LEU 150 N -1.03 4.37 -0.14 -0.35 2.96 -1.15 -4.51 118.68 118.83 1sq0 s LEU 150 Ca 0.21 2.88 0.04 0.00 -0.22 0.00 0.00 54.13 57.04 1sq0 s LEU 150 Cb 0.12 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.10 1sq0 s LEU 150 CO 0.13 -0.97 -0.08 -0.62 -1.32 0.00 0.00 176.35 173.48 1sq0 n GLU 151 N 3.85 0.85 -4.28 1.98 1.02 0.29 -3.12 120.64 121.23 1sq0 n GLU 151 Ca 0.15 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 57.14 1sq0 n GLU 151 Cb 0.35 -1.30 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 1sq0 n GLU 151 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1sq0 s LYS 152 N -2.30 1.13 -0.03 3.49 1.02 -0.78 -0.96 119.74 121.32 1sq0 s LYS 152 Ca -0.16 -0.21 0.03 0.00 0.02 0.00 0.00 55.97 55.65 1sq0 s LYS 152 Cb 0.05 -1.05 -0.00 0.00 -0.52 0.00 0.00 37.83 36.30 1sq0 s LYS 152 CO 0.39 -0.06 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.47 1sq0 s LEU 153 N 0.88 1.87 -0.07 3.17 2.96 -0.58 -1.24 118.68 125.68 1sq0 s LEU 153 Ca -0.11 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1sq0 s LEU 153 Cb -0.15 -0.71 0.02 0.00 0.50 0.00 0.00 46.19 45.86 1sq0 s LEU 153 CO 0.01 0.11 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.56 1sq0 s SER 154 N 0.06 1.43 -0.03 3.68 0.15 -0.59 -1.79 113.70 116.60 1sq0 s SER 154 Ca -0.02 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.52 1sq0 s SER 154 Cb -0.09 -0.53 0.06 0.00 -1.71 0.00 0.00 66.02 63.75 1sq0 s SER 154 CO 0.01 -0.11 0.90 0.18 1.20 0.00 0.00 173.24 175.42 1sq0 n LEU 155 N 4.57 0.86 -4.68 3.45 4.77 -0.27 -1.19 117.00 124.51 1sq0 n LEU 155 Ca -0.16 -1.36 -0.38 0.00 -0.03 0.00 0.00 56.01 54.08 1sq0 n LEU 155 Cb 0.50 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1sq0 n LEU 155 CO 0.18 0.33 0.76 0.00 -1.33 0.00 0.00 177.39 177.33 1sq0 n ALA 156 N -0.40 0.79 -2.78 -1.18 0.00 -0.88 -3.52 120.51 112.55 1sq0 n ALA 156 Ca 0.03 0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1sq0 n ALA 156 Cb 0.56 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.78 1sq0 n ALA 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sq0 n ASN 157 N -1.31 -5.82 -0.31 0.00 4.13 0.11 -1.56 115.26 110.50 1sq0 n ASN 157 Ca 0.14 -0.17 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1sq0 n ASN 157 Cb 0.47 -4.77 0.00 0.00 -1.54 0.00 0.00 39.78 33.94 1sq0 n ASN 157 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1sq0 n ASN 158 N -2.29 0.46 -2.34 6.41 3.02 -1.23 -3.80 115.26 115.49 1sq0 n ASN 158 Ca -0.16 -0.16 -0.22 0.00 -0.03 0.00 0.00 54.58 54.02 1sq0 n ASN 158 Cb 0.64 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.83 1sq0 n ASN 158 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1sq0 n ASP 159 N -0.39 4.24 -4.71 6.41 9.92 0.24 -4.31 116.55 127.95 1sq0 n ASP 159 Ca 0.00 -3.50 -0.42 0.00 -0.53 0.00 0.00 54.79 50.34 1sq0 n ASP 159 Cb 0.00 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 1sq0 n ASP 159 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1sq0 s LEU 160 N -3.55 4.37 -0.01 0.64 1.43 -0.51 -4.17 118.68 116.88 1sq0 s LEU 160 Ca 0.46 2.45 0.20 0.00 -1.03 0.00 0.00 54.13 56.21 1sq0 s LEU 160 Cb 0.40 -3.58 -0.24 0.00 0.03 0.00 0.00 46.19 42.80 1sq0 s LEU 160 CO -0.06 -0.76 0.79 0.35 0.23 0.00 0.00 176.35 176.90 1sq0 n THR 161 N 4.12 0.00 -3.59 5.49 -2.24 0.30 -0.42 114.28 117.94 1sq0 n THR 161 Ca 0.13 -0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 61.76 1sq0 n THR 161 Cb 0.41 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1sq0 n THR 161 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sq0 s GLU 162 N -3.04 0.34 -0.02 -0.78 -1.05 -1.26 -4.45 118.70 108.46 1sq0 s GLU 162 Ca 0.05 -0.14 0.07 0.00 -0.15 0.00 0.00 54.97 54.80 1sq0 s GLU 162 Cb 0.15 0.15 -0.02 0.00 -0.44 0.00 0.00 34.13 33.98 1sq0 s GLU 162 CO 0.85 -0.15 -0.22 -0.51 0.95 0.00 0.00 175.26 176.17 1sq0 s LEU 163 N -2.27 2.04 0.20 1.83 1.43 -1.26 -4.55 118.68 116.10 1sq0 s LEU 163 Ca 0.10 -0.41 -0.32 0.00 -1.03 0.00 0.00 54.13 52.47 1sq0 s LEU 163 Cb -0.00 -1.16 -0.11 0.00 0.03 0.00 0.00 46.19 44.94 1sq0 s LEU 163 CO -0.05 0.27 1.65 -2.16 0.23 0.00 0.00 176.35 176.29 1sq0 s PRO 164 N -0.50 4.16 0.47 1.29 0.04 -1.26 -4.74 135.00 134.46 1sq0 s PRO 164 Ca 0.08 2.51 0.27 0.00 0.04 0.00 0.00 61.00 63.90 1sq0 s PRO 164 Cb -0.09 -3.10 1.33 0.00 0.04 0.00 0.00 34.50 32.68 1sq0 s PRO 164 CO -0.01 -0.68 1.79 0.00 0.04 0.00 0.00 177.00 178.15 1sq0 h ALA 165 N 6.56 2.67 -0.71 8.56 0.00 -1.97 -0.32 119.26 134.04 1sq0 h ALA 165 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sq0 h ALA 165 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1sq0 h ALA 165 CO 0.92 -1.04 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1sq0 n GLY 166 N -1.62 2.49 0.36 0.00 0.00 -1.26 -4.46 105.19 100.70 1sq0 n GLY 166 Ca 0.25 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1sq0 n GLY 166 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sq0 n LEU 167 N 1.62 -0.42 -0.86 0.99 7.94 -0.13 -1.35 117.00 124.79 1sq0 n LEU 167 Ca 0.24 1.70 0.06 0.00 -1.11 0.00 0.00 56.01 56.91 1sq0 n LEU 167 Cb 0.62 -0.49 0.20 0.00 0.53 0.00 0.00 43.42 44.28 1sq0 n LEU 167 CO 0.16 -1.61 0.65 0.18 -1.11 0.00 0.00 177.39 175.67 1sq0 n LEU 168 N -5.58 2.49 -4.77 -1.96 4.77 -1.26 -4.60 117.00 106.10 1sq0 n LEU 168 Ca 0.15 -1.25 -0.40 0.00 -0.03 0.00 0.00 56.01 54.47 1sq0 n LEU 168 Cb 0.47 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1sq0 n LEU 168 CO -0.12 0.56 1.04 0.20 -1.33 0.00 0.00 177.39 177.74 1sq0 s ASN 169 N -0.92 6.19 0.00 -1.43 0.01 -0.46 -2.48 114.94 115.85 1sq0 s ASN 169 Ca 0.29 2.85 0.00 0.00 -0.71 0.00 0.00 52.86 55.29 1sq0 s ASN 169 Cb 0.16 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1sq0 s ASN 169 CO 0.18 -0.95 0.00 0.61 -1.51 0.00 0.00 177.10 175.43 1sq0 n GLY 170 N 0.60 2.83 3.00 0.66 0.00 -1.26 -4.85 105.19 106.17 1sq0 n GLY 170 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1sq0 n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sq0 n LEU 171 N 0.00 6.31 0.00 0.99 4.77 -1.03 -4.76 117.00 123.27 1sq0 n LEU 171 Ca 0.00 -4.38 0.05 0.00 -0.03 0.00 0.00 56.01 51.65 1sq0 n LEU 171 Cb 0.00 -1.59 0.27 0.00 -2.33 0.00 0.00 43.42 39.78 1sq0 n LEU 171 CO 0.00 1.06 0.61 -0.62 -1.33 0.00 0.00 177.39 177.11 1sq0 n GLU 172 N 5.34 0.84 -0.01 3.23 -0.58 -1.26 -3.07 120.64 125.13 1sq0 n GLU 172 Ca 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1sq0 n GLU 172 Cb 0.39 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1sq0 n GLU 172 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sq0 n ASN 173 N -0.67 1.37 -4.69 1.62 5.03 -1.26 -5.02 115.26 111.65 1sq0 n ASN 173 Ca 0.07 -1.73 -0.42 0.00 0.87 0.00 0.00 54.58 53.37 1sq0 n ASN 173 Cb 0.03 -0.02 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 1sq0 n ASN 173 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1sq0 s LEU 174 N -0.74 4.32 -0.00 3.41 2.96 -1.18 -4.33 118.68 123.12 1sq0 s LEU 174 Ca 0.01 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 1sq0 s LEU 174 Cb 0.01 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 1sq0 s LEU 174 CO 0.00 -0.76 0.00 -0.90 -1.32 0.00 0.00 176.35 173.38 1sq0 n ASP 175 N 5.49 4.94 -3.89 3.68 5.68 -0.13 -4.58 116.55 127.73 1sq0 n ASP 175 Ca 0.14 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.16 1sq0 n ASP 175 Cb 0.43 0.79 -0.17 0.00 -1.14 0.00 0.00 41.12 41.03 1sq0 n ASP 175 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sq0 s THR 176 N -2.01 0.97 -0.24 2.12 2.01 -0.92 0.28 115.64 117.84 1sq0 s THR 176 Ca -0.00 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1sq0 s THR 176 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.58 1sq0 s THR 176 CO 0.01 0.36 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.05 1sq0 s LEU 177 N 1.73 2.58 -0.42 4.42 2.96 0.34 -1.53 118.68 128.76 1sq0 s LEU 177 Ca 0.05 -1.24 -0.10 0.00 -0.22 0.00 0.00 54.13 52.62 1sq0 s LEU 177 Cb -0.13 -1.14 0.07 0.00 0.50 0.00 0.00 46.19 45.49 1sq0 s LEU 177 CO -0.08 -0.26 0.27 -0.76 -1.32 0.00 0.00 176.35 174.20 1sq0 s LEU 178 N 1.41 5.16 -0.10 -0.68 1.43 -0.74 -0.89 118.68 124.27 1sq0 s LEU 178 Ca -0.04 -1.45 0.15 0.00 -1.03 0.00 0.00 54.13 51.76 1sq0 s LEU 178 Cb -0.19 -2.01 0.22 0.00 0.03 0.00 0.00 46.19 44.25 1sq0 s LEU 178 CO -0.08 -0.54 1.11 0.18 0.23 0.00 0.00 176.35 177.26 1sq0 n LEU 179 N 4.95 2.09 -4.80 1.79 4.77 -0.58 -1.11 117.00 124.11 1sq0 n LEU 179 Ca -0.10 -2.73 -0.32 0.00 -0.03 0.00 0.00 56.01 52.82 1sq0 n LEU 179 Cb 0.43 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1sq0 n LEU 179 CO 0.39 0.64 0.72 0.00 -1.33 0.00 0.00 177.39 177.81 1sq0 s GLN 180 N -2.35 2.95 -1.08 3.23 0.00 -1.13 -4.23 119.66 117.05 1sq0 s GLN 180 Ca 0.25 1.16 -0.03 0.00 -0.00 0.00 0.00 55.36 56.74 1sq0 s GLN 180 Cb 0.21 -1.98 0.00 0.00 0.00 0.00 0.00 33.01 31.24 1sq0 s GLN 180 CO 0.02 -1.11 0.92 0.39 0.00 0.00 0.00 175.29 175.51 1sq0 n GLU 181 N -2.65 -6.12 -0.01 9.60 -0.58 -0.53 -0.71 120.64 119.64 1sq0 n GLU 181 Ca 0.09 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.54 1sq0 n GLU 181 Cb 0.53 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 26.02 1sq0 n GLU 181 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sq0 n ASN 182 N -2.63 1.65 -2.03 1.62 3.02 -1.18 -3.24 115.26 112.47 1sq0 n ASN 182 Ca -0.14 -0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.18 1sq0 n ASN 182 Cb 0.61 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.80 1sq0 n ASN 182 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1sq0 n SER 183 N -0.01 4.63 -4.76 6.41 7.64 0.44 -4.40 113.62 123.58 1sq0 n SER 183 Ca 0.00 -3.64 -0.39 0.00 1.01 0.00 0.00 58.87 55.84 1sq0 n SER 183 Cb 0.00 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.79 1sq0 n SER 183 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sq0 s LEU 184 N -3.60 4.56 0.00 -3.43 1.43 -1.05 -4.29 118.68 112.31 1sq0 s LEU 184 Ca 0.49 1.96 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1sq0 s LEU 184 Cb 0.40 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1sq0 s LEU 184 CO 0.03 0.07 0.14 0.00 0.23 0.00 0.00 176.35 176.82 1sq0 n TYR 185 N 1.23 0.00 -3.53 0.29 0.18 -1.26 -2.17 117.16 111.91 1sq0 n TYR 185 Ca -0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.64 1sq0 n TYR 185 Cb 0.47 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.39 1sq0 n TYR 185 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1sq0 s THR 186 N -0.35 0.00 -0.15 -3.48 -1.32 -1.26 -0.19 115.64 108.89 1sq0 s THR 186 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1sq0 s THR 186 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 1sq0 s THR 186 CO 0.00 0.00 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.69 1sq0 s ILE 187 N -1.77 3.33 0.37 5.08 1.09 -1.26 -4.77 121.20 123.26 1sq0 s ILE 187 Ca -0.03 -0.55 -0.28 0.00 -1.10 0.00 0.00 60.65 58.68 1sq0 s ILE 187 Cb -0.00 -2.44 -0.11 0.00 -1.06 0.00 0.00 42.46 38.85 1sq0 s ILE 187 CO 0.01 0.50 1.50 -0.81 -0.10 0.00 0.00 174.94 176.04 1sq0 n PRO 188 N 3.77 2.68 -1.68 2.79 -0.04 -1.26 -4.73 135.00 136.54 1sq0 n PRO 188 Ca -0.18 0.94 -0.45 0.00 -0.04 0.00 0.00 63.50 63.77 1sq0 n PRO 188 Cb 0.52 -2.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.26 1sq0 n PRO 188 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1sq0 n LYS 189 N 0.66 2.29 -0.91 0.54 4.81 -1.26 -1.37 118.16 122.92 1sq0 n LYS 189 Ca 0.02 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1sq0 n LYS 189 Cb 0.39 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1sq0 n LYS 189 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sq0 n GLY 190 N 3.55 0.71 0.21 3.14 0.00 -1.26 -4.95 105.19 106.60 1sq0 n GLY 190 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1sq0 n GLY 190 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sq0 h PHE 191 N 0.00 -0.22 0.00 1.61 3.57 -1.44 -2.45 116.94 118.01 1sq0 h PHE 191 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sq0 h PHE 191 Cb 0.00 0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1sq0 h PHE 191 CO 0.00 -0.21 0.00 0.74 -2.23 0.00 0.00 178.31 176.61 1sq0 h PHE 192 N 0.03 0.00 0.00 0.41 -1.00 -1.90 -3.42 116.94 111.05 1sq0 h PHE 192 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1sq0 h PHE 192 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1sq0 h PHE 192 CO -0.42 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 176.69 1sq0 n GLY 193 N 1.12 0.67 0.28 -1.45 0.00 -0.93 -3.92 105.19 100.96 1sq0 n GLY 193 Ca 0.04 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.35 1sq0 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sq0 n SER 194 N -1.13 1.39 -4.78 1.61 3.41 -1.26 -5.02 113.62 107.84 1sq0 n SER 194 Ca 0.00 -1.19 -0.41 0.00 -0.26 0.00 0.00 58.87 57.01 1sq0 n SER 194 Cb 0.00 0.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1sq0 n SER 194 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1sq0 s HIS 195 N -1.40 2.71 0.25 7.33 5.65 -1.25 -4.98 115.29 123.59 1sq0 s HIS 195 Ca 0.10 1.24 -0.30 0.00 0.25 0.00 0.00 55.06 56.35 1sq0 s HIS 195 Cb 0.09 -3.92 -0.09 0.00 -1.18 0.00 0.00 32.58 27.48 1sq0 s HIS 195 CO 0.27 -2.67 1.03 -1.17 -0.65 0.00 0.00 174.74 171.55 1sq0 s LEU 196 N -2.05 4.58 -0.44 8.88 2.96 -1.26 -5.02 118.68 126.33 1sq0 s LEU 196 Ca 0.52 2.12 0.02 0.00 -0.22 0.00 0.00 54.13 56.57 1sq0 s LEU 196 Cb -0.44 -3.62 0.14 0.00 0.50 0.00 0.00 46.19 42.77 1sq0 s LEU 196 CO 0.60 -0.03 0.26 -0.22 -1.32 0.00 0.00 176.35 175.64 1sq0 s LEU 197 N -1.21 2.54 0.20 -0.68 2.96 -1.26 -4.83 118.68 116.40 1sq0 s LEU 197 Ca 0.44 -2.68 -0.16 0.00 -0.22 0.00 0.00 54.13 51.51 1sq0 s LEU 197 Cb -0.29 -0.96 0.21 0.00 0.50 0.00 0.00 46.19 45.64 1sq0 s LEU 197 CO 0.37 -0.25 1.36 -2.65 -1.32 0.00 0.00 176.35 173.85 1sq0 n PRO 198 N 3.46 -0.21 -4.03 0.98 -0.02 -1.23 -4.34 135.00 129.61 1sq0 n PRO 198 Ca 0.11 1.34 -0.29 0.00 -2.02 0.00 0.00 63.50 62.65 1sq0 n PRO 198 Cb 0.36 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.68 1sq0 n PRO 198 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1sq0 s PHE 199 N -5.82 1.91 -0.07 6.00 0.40 0.14 -4.47 117.98 116.08 1sq0 s PHE 199 Ca -0.12 -1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 55.18 1sq0 s PHE 199 Cb 0.18 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 42.28 1sq0 s PHE 199 CO 0.62 -0.59 -0.00 0.00 0.70 0.00 0.00 175.22 175.94 1sq0 s ALA 200 N 1.50 0.69 -0.27 5.36 0.00 0.40 -0.51 121.76 128.93 1sq0 s ALA 200 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 1sq0 s ALA 200 Cb -0.13 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1sq0 s ALA 200 CO -0.09 -0.40 0.11 -0.06 0.00 0.00 0.00 175.76 175.32 1sq0 s PHE 201 N 1.84 3.13 0.00 0.00 0.40 -0.07 -0.58 117.98 122.69 1sq0 s PHE 201 Ca 0.03 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1sq0 s PHE 201 Cb -0.12 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1sq0 s PHE 201 CO -0.05 -0.38 0.46 1.28 0.70 0.00 0.00 175.22 177.23 1sq0 n LEU 202 N 4.95 0.87 -4.62 -0.37 4.77 -1.26 -1.53 117.00 119.82 1sq0 n LEU 202 Ca -0.15 -0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 54.66 1sq0 n LEU 202 Cb 0.51 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.82 1sq0 n LEU 202 CO 0.32 0.22 0.62 -1.38 -1.33 0.00 0.00 177.39 175.84 1sq0 s HIS 203 N -0.12 1.04 -0.89 -1.77 -3.43 -1.26 -4.18 115.29 104.67 1sq0 s HIS 203 Ca 0.00 0.67 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 1sq0 s HIS 203 Cb 0.00 -3.38 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 1sq0 s HIS 203 CO 0.00 -3.57 0.00 0.41 -2.00 0.00 0.00 174.74 169.58 1sq0 n GLY 204 N -0.95 1.03 3.30 -1.38 0.00 -1.26 -1.45 105.19 104.48 1sq0 n GLY 204 Ca 0.10 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1sq0 n GLY 204 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sq0 s ASN 205 N -2.91 2.76 -0.69 1.61 0.01 -1.26 -3.12 114.94 111.35 1sq0 s ASN 205 Ca 0.00 -0.63 -0.08 0.00 -0.71 0.00 0.00 52.86 51.44 1sq0 s ASN 205 Cb 0.00 -0.20 -0.18 0.00 0.41 0.00 0.00 41.25 41.28 1sq0 s ASN 205 CO 0.00 0.15 3.33 -2.65 -1.51 0.00 0.00 177.10 176.41 1sq0 n PRO 206 N 1.41 2.74 -1.69 -0.60 -0.02 -0.92 -3.69 135.00 132.23 1sq0 n PRO 206 Ca -0.18 -1.55 -0.56 0.00 -2.02 0.00 0.00 63.50 59.19 1sq0 n PRO 206 Cb 0.53 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1sq0 n PRO 206 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sq0 n TRP 207 N 2.89 1.96 -2.96 6.00 7.02 -1.14 -4.24 117.44 126.97 1sq0 n TRP 207 Ca 0.58 0.53 -0.44 0.00 -1.02 0.00 0.00 57.50 57.16 1sq0 n TRP 207 Cb 0.62 -2.44 -0.04 0.00 -2.42 0.00 0.00 31.31 27.03 1sq0 n TRP 207 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1sq0 s LEU 208 N 2.96 4.88 -0.71 -0.99 2.96 0.74 -0.03 118.68 128.49 1sq0 s LEU 208 Ca 0.95 -1.39 -0.27 0.00 -0.22 0.00 0.00 54.13 53.21 1sq0 s LEU 208 Cb -1.03 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 43.29 1sq0 s LEU 208 CO 0.61 -1.25 1.54 0.00 -1.32 0.00 0.00 176.35 175.94 1sq0 n ASN 210 N 10.84 -1.01 -0.40 0.00 0.23 -1.26 -5.01 115.26 118.65 1sq0 n ASN 210 Ca 0.12 -2.57 0.34 0.00 -0.53 0.00 0.00 54.58 51.95 1sq0 n ASN 210 Cb 0.50 1.94 0.66 0.00 -2.08 0.00 0.00 39.78 40.80 1sq0 n ASN 210 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sq0 h GLU 212 N 0.14 0.00 -0.00 0.00 3.07 -1.96 -2.97 114.58 112.86 1sq0 h GLU 212 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1sq0 h GLU 212 Cb 2.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.20 1sq0 h GLU 212 CO -0.20 0.02 -0.01 1.51 -1.40 0.00 0.00 179.01 178.93 1sq0 n ILE 213 N -3.12 0.00 -0.17 3.13 0.13 0.40 -4.03 119.36 115.70 1sq0 n ILE 213 Ca 0.01 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.63 1sq0 n ILE 213 Cb 0.37 -0.34 0.26 0.00 -0.84 0.00 0.00 39.64 39.09 1sq0 n ILE 213 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 1sq0 h LEU 214 N 0.32 0.78 -0.29 9.51 3.38 -1.63 -0.67 115.31 126.72 1sq0 h LEU 214 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sq0 h LEU 214 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sq0 h LEU 214 CO 0.00 0.61 0.17 0.22 0.09 0.00 0.00 178.44 179.52 1sq0 h TYR 215 N 0.90 0.39 -0.48 1.13 3.20 -1.84 -1.85 116.97 118.43 1sq0 h TYR 215 Ca 0.24 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.12 1sq0 h TYR 215 Cb -0.03 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1sq0 h TYR 215 CO 0.00 0.31 0.29 0.35 -1.64 0.00 0.00 178.16 177.47 1sq0 h PHE 216 N 0.36 0.54 -0.51 -3.82 3.57 -1.67 -2.14 116.94 113.26 1sq0 h PHE 216 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1sq0 h PHE 216 Cb 0.04 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 1sq0 h PHE 216 CO -0.04 0.31 0.32 -0.09 -2.23 0.00 0.00 178.31 176.59 1sq0 h ARG 217 N 0.58 0.64 -0.37 1.11 2.43 -0.82 0.12 114.38 118.06 1sq0 h ARG 217 Ca 0.19 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1sq0 h ARG 217 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1sq0 h ARG 217 CO -0.08 0.42 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.70 1sq0 h ARG 218 N 0.65 0.58 -0.29 0.20 1.12 -1.14 -1.67 114.38 113.84 1sq0 h ARG 218 Ca 0.20 -0.13 -0.04 0.00 -1.11 0.00 0.00 59.98 58.90 1sq0 h ARG 218 Cb -0.03 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 1sq0 h ARG 218 CO -0.07 0.61 0.04 2.35 -3.11 0.00 0.00 179.97 179.79 1sq0 h TRP 219 N 0.55 0.52 -0.78 2.20 7.01 -0.67 -2.43 115.95 122.36 1sq0 h TRP 219 Ca 0.12 -0.08 0.06 0.00 2.11 0.00 0.00 58.89 61.10 1sq0 h TRP 219 Cb 0.37 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.23 1sq0 h TRP 219 CO 0.01 0.59 0.47 -0.07 -2.79 0.00 0.00 178.44 176.66 1sq0 h LEU 220 N 0.30 0.72 -0.85 0.65 3.38 -0.30 -0.48 115.31 118.73 1sq0 h LEU 220 Ca 0.09 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1sq0 h LEU 220 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sq0 h LEU 220 CO 0.01 0.47 -0.24 1.56 0.09 0.00 0.00 178.44 180.32 1sq0 h GLN 221 N 0.86 0.58 0.00 1.13 4.20 -1.17 0.70 115.11 121.41 1sq0 h GLN 221 Ca 0.34 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1sq0 h GLN 221 Cb 0.17 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1sq0 h GLN 221 CO -0.17 0.77 -0.02 -0.25 -0.67 0.00 0.00 178.83 178.49 1sq0 n ASP 222 N -4.12 0.67 -0.44 1.46 10.43 -0.91 -3.83 116.55 119.82 1sq0 n ASP 222 Ca -0.00 0.55 0.06 0.00 2.57 0.00 0.00 54.79 57.97 1sq0 n ASP 222 Cb 0.41 -0.71 0.11 0.00 1.84 0.00 0.00 41.12 42.77 1sq0 n ASP 222 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1sq0 n ASN 223 N -2.13 1.49 -0.41 -2.24 3.02 -0.24 -4.87 115.26 109.89 1sq0 n ASN 223 Ca 0.06 -2.86 0.38 0.00 -0.03 0.00 0.00 54.58 52.13 1sq0 n ASN 223 Cb 0.42 -0.38 0.74 0.00 -0.61 0.00 0.00 39.78 39.95 1sq0 n ASN 223 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sq0 h ALA 224 N 0.31 3.18 -0.20 5.41 0.00 -0.97 0.27 119.26 127.27 1sq0 h ALA 224 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sq0 h ALA 224 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1sq0 h ALA 224 CO 0.01 -1.59 0.00 -0.85 0.00 0.00 0.00 179.25 176.82 1sq0 n GLU 225 N -4.19 1.91 0.00 0.00 0.28 -1.26 -3.68 120.64 113.69 1sq0 n GLU 225 Ca 0.30 -1.36 0.03 0.00 -0.16 0.00 0.00 57.16 55.97 1sq0 n GLU 225 Cb 1.38 -1.43 0.03 0.00 1.43 0.00 0.00 31.44 32.86 1sq0 n GLU 225 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1sq0 n ASN 226 N 0.59 1.56 -4.55 -1.84 3.02 0.95 -4.93 115.26 110.06 1sq0 n ASN 226 Ca 0.17 -1.28 -0.41 0.00 -0.03 0.00 0.00 54.58 53.03 1sq0 n ASN 226 Cb 0.40 0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.49 1sq0 n ASN 226 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sq0 s VAL 227 N -0.57 5.11 0.32 2.41 1.01 -1.15 -0.45 120.40 127.06 1sq0 s VAL 227 Ca 0.08 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1sq0 s VAL 227 Cb 0.06 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1sq0 s VAL 227 CO 0.09 -0.13 -0.00 -0.31 0.00 0.00 0.00 175.10 174.75 1sq0 s TYR 228 N 2.17 2.57 -0.09 5.22 1.51 0.25 -0.74 117.35 128.24 1sq0 s TYR 228 Ca 0.15 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1sq0 s TYR 228 Cb -0.16 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1sq0 s TYR 228 CO 0.12 0.53 -0.12 0.08 -1.11 0.00 0.00 175.55 175.04 1sq0 s VAL 229 N -2.46 3.17 -0.27 0.71 1.01 0.91 -4.16 120.40 119.30 1sq0 s VAL 229 Ca 0.34 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1sq0 s VAL 229 Cb -0.02 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1sq0 s VAL 229 CO 0.19 0.56 0.07 0.86 0.00 0.00 0.00 175.10 176.77 1sq0 s TRP 230 N -0.19 3.10 -0.06 5.22 -0.00 -1.26 -1.56 118.94 124.19 1sq0 s TRP 230 Ca 0.00 -0.70 0.03 0.00 -0.00 0.00 0.00 56.10 55.44 1sq0 s TRP 230 Cb -0.13 -2.24 -0.02 0.00 -0.00 0.00 0.00 33.47 31.08 1sq0 s TRP 230 CO 0.03 -0.47 -0.15 0.21 -0.00 0.00 0.00 176.95 176.57 1sq0 s LYS 231 N 1.56 2.58 0.05 5.86 2.47 -0.60 -5.01 119.74 126.64 1sq0 s LYS 231 Ca 0.05 -0.71 0.08 0.00 -1.56 0.00 0.00 55.97 53.82 1sq0 s LYS 231 Cb -0.16 -2.38 -0.03 0.00 -1.46 0.00 0.00 37.83 33.80 1sq0 s LYS 231 CO 0.02 0.57 -0.21 -1.14 0.16 0.00 0.00 175.35 174.75 1sq0 s GLN 232 N -0.59 1.96 0.08 4.03 2.00 -1.26 -0.94 119.66 124.94 1sq0 s GLN 232 Ca 0.09 -1.04 -0.03 0.00 -2.00 0.00 0.00 55.36 52.38 1sq0 s GLN 232 Cb -0.11 -2.11 0.01 0.00 0.80 0.00 0.00 33.01 31.59 1sq0 s GLN 232 CO 0.01 0.53 0.16 0.41 -0.50 0.00 0.00 175.29 175.89 1sq0 n GLY 233 N 1.58 2.04 3.56 2.59 0.00 -0.14 -5.01 105.19 109.80 1sq0 n GLY 233 Ca -0.16 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.32 1sq0 n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sq0 s VAL 234 N -2.74 3.39 0.00 1.61 1.01 -1.26 -3.01 120.40 119.40 1sq0 s VAL 234 Ca 0.04 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1sq0 s VAL 234 Cb -0.01 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1sq0 s VAL 234 CO 0.03 -0.89 0.00 0.47 0.00 0.00 0.00 175.10 174.71 1sq0 n ASP 235 N 12.37 0.00 -4.38 3.32 9.92 -1.26 -5.00 116.55 131.52 1sq0 n ASP 235 Ca 0.20 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.14 1sq0 n ASP 235 Cb 0.51 -0.47 -0.15 0.00 -0.64 0.00 0.00 41.12 40.38 1sq0 n ASP 235 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1sq0 s VAL 236 N -2.94 2.60 -0.22 2.53 0.11 -1.16 -5.09 120.40 116.23 1sq0 s VAL 236 Ca 0.00 -0.89 -0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1sq0 s VAL 236 Cb 0.00 -1.98 0.06 0.00 -1.53 0.00 0.00 36.38 32.93 1sq0 s VAL 236 CO 0.00 0.58 0.02 -0.54 -3.33 0.00 0.00 175.10 171.83 1sq0 s LYS 237 N -0.51 0.90 0.14 1.54 1.02 -1.26 -0.97 119.74 120.60 1sq0 s LYS 237 Ca 0.07 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.50 1sq0 s LYS 237 Cb -0.11 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1sq0 s LYS 237 CO 0.01 -0.66 -0.00 0.00 -0.92 0.00 0.00 175.35 173.77 1sq0 s ALA 238 N 1.72 3.22 -0.11 5.17 0.00 -0.11 -4.99 121.76 126.65 1sq0 s ALA 238 Ca -0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 1sq0 s ALA 238 Cb -0.18 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 21.91 1sq0 s ALA 238 CO -0.09 0.56 -0.08 -1.64 0.00 0.00 0.00 175.76 174.51 1sq0 s MET 239 N -2.71 1.54 -0.06 0.00 -1.94 -1.26 -1.56 119.30 113.31 1sq0 s MET 239 Ca 0.27 -0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.01 1sq0 s MET 239 Cb -0.10 -1.60 0.01 0.00 2.01 0.00 0.00 34.83 35.16 1sq0 s MET 239 CO 0.18 -0.26 -0.12 0.99 -0.01 0.00 0.00 175.02 175.80 1sq0 s THR 240 N 1.69 1.11 -0.07 2.05 2.01 -0.60 -4.94 115.64 116.88 1sq0 s THR 240 Ca 0.05 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 1sq0 s THR 240 Cb -0.13 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1sq0 s THR 240 CO -0.08 0.35 1.50 -0.55 -0.69 0.00 0.00 174.62 175.15 1sq0 s SER 241 N 0.66 6.77 -0.32 3.53 0.15 -1.26 -0.07 113.70 123.17 1sq0 s SER 241 Ca -0.14 2.08 -0.03 0.00 0.70 0.00 0.00 55.95 58.56 1sq0 s SER 241 Cb -0.16 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.80 1sq0 s SER 241 CO 0.04 -0.84 0.85 0.21 1.20 0.00 0.00 173.24 174.70 1sq0 s ASN 242 N 2.66 -0.92 0.48 5.45 3.04 0.08 -4.93 114.94 120.80 1sq0 s ASN 242 Ca 0.67 -0.11 0.15 0.00 0.04 0.00 0.00 52.86 53.60 1sq0 s ASN 242 Cb -0.30 1.41 1.11 0.00 -1.54 0.00 0.00 41.25 41.93 1sq0 s ASN 242 CO 0.25 -0.14 2.07 1.62 -3.04 0.00 0.00 177.10 177.86 1sq0 h VAL 243 N 4.75 1.07 0.00 -5.21 3.04 -1.66 -2.58 116.25 115.67 1sq0 h VAL 243 Ca -0.03 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1sq0 h VAL 243 Cb 1.19 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1sq0 h VAL 243 CO 0.01 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 176.66 1sq0 n ALA 244 N -2.52 1.35 0.20 3.17 0.00 -1.26 -2.21 120.51 119.23 1sq0 n ALA 244 Ca -0.02 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1sq0 n ALA 244 Cb 0.16 -1.11 0.41 0.00 0.00 0.00 0.00 19.45 18.91 1sq0 n ALA 244 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sq0 h SER 245 N 0.00 0.00 -3.57 0.00 4.64 -1.85 -3.40 113.55 109.37 1sq0 h SER 245 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1sq0 h SER 245 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.14 1sq0 h SER 245 CO 0.00 0.34 0.96 -0.69 -0.87 0.00 0.00 176.83 176.57 1sq0 s VAL 246 N -3.95 4.14 0.04 0.95 1.01 -0.94 -4.56 120.40 117.09 1sq0 s VAL 246 Ca -0.02 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1sq0 s VAL 246 Cb 0.13 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1sq0 s VAL 246 CO 0.69 -0.90 -0.05 0.00 0.00 0.00 0.00 175.10 174.83 1sq0 s GLN 247 N 4.53 0.47 0.31 2.72 -2.07 -1.26 -1.52 119.66 122.84 1sq0 s GLN 247 Ca 0.51 -0.80 -0.30 0.00 -1.82 0.00 0.00 55.36 52.95 1sq0 s GLN 247 Cb -0.09 -0.04 -0.11 0.00 -1.09 0.00 0.00 33.01 31.68 1sq0 s GLN 247 CO 0.31 -0.02 1.58 0.00 -1.32 0.00 0.00 175.29 175.84 1sq0 n ASP 249 N 1.87 -0.28 0.00 0.00 8.00 0.96 -0.98 116.55 126.11 1sq0 n ASP 249 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1sq0 n ASP 249 Cb 0.38 -2.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.18 1sq0 n ASP 249 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sq0 n ASN 250 N -0.03 -2.30 -4.82 -2.24 2.85 -0.57 -4.76 115.26 103.39 1sq0 n ASN 250 Ca 0.00 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 54.10 1sq0 n ASN 250 Cb 0.02 -0.38 -0.06 0.00 1.24 0.00 0.00 39.78 40.60 1sq0 n ASN 250 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1sq0 s SER 251 N -2.10 6.49 0.00 1.20 0.15 -0.15 -4.91 113.70 114.37 1sq0 s SER 251 Ca 0.00 0.58 0.14 0.00 0.70 0.00 0.00 55.95 57.38 1sq0 s SER 251 Cb 0.00 -2.15 0.82 0.00 -1.71 0.00 0.00 66.02 62.98 1sq0 s SER 251 CO 0.00 0.29 1.32 -0.90 1.20 0.00 0.00 173.24 175.15 1sq0 n ASP 252 N 2.49 0.00 0.28 5.45 5.75 -1.26 -2.89 116.55 126.36 1sq0 n ASP 252 Ca -0.16 -0.28 0.14 0.00 -0.01 0.00 0.00 54.79 54.47 1sq0 n ASP 252 Cb 0.53 -0.09 0.80 0.00 -1.03 0.00 0.00 41.12 41.33 1sq0 n ASP 252 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1sq0 h LYS 253 N 0.00 0.00 -1.24 0.11 1.57 -1.93 -3.41 116.57 111.67 1sq0 h LYS 253 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1sq0 h LYS 253 Cb 0.04 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.12 1sq0 h LYS 253 CO 0.00 0.08 -0.32 -0.59 -0.57 0.00 0.00 179.45 178.05 1sq0 s PHE 254 N -4.30 -1.41 0.51 -1.35 -0.12 -1.14 -5.12 117.98 105.05 1sq0 s PHE 254 Ca -0.03 1.50 -0.21 0.00 -0.05 0.00 0.00 56.93 58.14 1sq0 s PHE 254 Cb 0.14 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.90 1sq0 s PHE 254 CO 0.57 -0.84 1.18 -2.14 -0.05 0.00 0.00 175.22 173.94 1sq0 s PRO 255 N 2.78 3.47 0.27 1.99 0.02 -1.26 -2.03 135.00 140.24 1sq0 s PRO 255 Ca 0.19 1.77 0.06 0.00 0.02 0.00 0.00 61.00 63.04 1sq0 s PRO 255 Cb -0.15 -2.21 0.38 0.00 0.02 0.00 0.00 34.50 32.54 1sq0 s PRO 255 CO -0.20 -0.79 1.65 0.28 -0.33 0.00 0.00 177.00 177.61 1sq0 h VAL 256 N 1.50 1.34 0.00 3.83 2.07 -1.59 -2.91 116.25 120.48 1sq0 h VAL 256 Ca -0.50 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1sq0 h VAL 256 Cb 1.26 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1sq0 h VAL 256 CO 0.58 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.68 1sq0 n TYR 257 N -3.96 0.19 -2.40 1.57 0.18 -1.26 -2.24 117.16 109.23 1sq0 n TYR 257 Ca -0.02 0.08 -0.14 0.00 1.88 0.00 0.00 57.90 59.71 1sq0 n TYR 257 Cb 0.53 -0.63 0.03 0.00 -0.38 0.00 0.00 39.34 38.89 1sq0 n TYR 257 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 1sq0 n LYS 258 N -1.68 2.74 -3.28 -3.48 2.85 -1.10 -4.77 118.16 109.44 1sq0 n LYS 258 Ca 0.01 -3.89 -0.41 0.00 -1.05 0.00 0.00 58.31 52.98 1sq0 n LYS 258 Cb 0.10 -1.96 -0.08 0.00 -0.65 0.00 0.00 35.03 32.43 1sq0 n LYS 258 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1sq0 s TYR 259 N -3.66 3.21 0.07 5.58 5.04 -0.95 -4.89 117.35 121.76 1sq0 s TYR 259 Ca 0.40 0.32 -0.32 0.00 -2.44 0.00 0.00 57.07 55.03 1sq0 s TYR 259 Cb 0.38 -2.79 -0.16 0.00 0.35 0.00 0.00 41.96 39.73 1sq0 s TYR 259 CO -0.01 -0.41 1.50 -1.00 -1.34 0.00 0.00 175.55 174.29 1sq0 h PRO 260 N 8.30 -0.91 -3.89 4.97 0.13 -1.94 -3.48 132.00 135.17 1sq0 h PRO 260 Ca -0.29 0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1sq0 h PRO 260 Cb 1.14 0.21 0.08 0.00 0.13 0.00 0.00 31.00 32.56 1sq0 h PRO 260 CO 0.73 -0.61 -0.36 0.41 -0.23 0.00 0.00 178.00 177.94 1sq0 n GLY 261 N -1.52 0.04 0.00 1.56 0.00 -1.26 -4.94 105.19 99.07 1sq0 n GLY 261 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sq0 n GLY 261 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sq0 n LYS 262 N -2.30 0.00 -0.71 1.61 4.76 -1.26 -2.60 118.16 117.66 1sq0 n LYS 262 Ca -0.07 0.41 0.08 0.00 -2.87 0.00 0.00 58.31 55.87 1sq0 n LYS 262 Cb 0.56 -0.66 0.37 0.00 -1.84 0.00 0.00 35.03 33.46 1sq0 n LYS 262 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sq0 n GLY 263 N -0.91 2.75 3.71 0.72 0.00 -1.26 -4.94 105.19 105.25 1sq0 n GLY 263 Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1sq0 n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32