#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uu4 s ARG 3 N 0.00 0.34 -0.22 0.38 1.81 -1.10 -5.01 118.95 115.14 1uu4 s ARG 3 Ca 0.00 -0.19 -0.02 0.00 -1.72 0.00 0.00 55.73 53.80 1uu4 s ARG 3 Cb 0.00 -0.30 0.01 0.00 -0.45 0.00 0.00 34.95 34.21 1uu4 s ARG 3 CO 0.00 0.08 -0.09 -1.12 -0.68 0.00 0.00 175.30 173.50 1uu4 s SER 4 N -0.22 4.04 -0.94 0.23 0.01 -1.26 -1.23 113.70 114.33 1uu4 s SER 4 Ca 0.00 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.57 1uu4 s SER 4 Cb -0.02 -1.65 0.23 0.00 0.21 0.00 0.00 66.02 64.79 1uu4 s SER 4 CO -0.00 -0.06 0.84 -0.76 0.41 0.00 0.00 173.24 173.67 1uu4 s LEU 5 N 1.37 5.71 0.00 2.44 1.43 0.12 -4.84 118.68 124.91 1uu4 s LEU 5 Ca 0.03 -3.69 0.20 0.00 -1.03 0.00 0.00 54.13 49.64 1uu4 s LEU 5 Cb -0.15 -1.97 -0.16 0.00 0.03 0.00 0.00 46.19 43.94 1uu4 s LEU 5 CO -0.06 -0.21 0.90 0.00 0.23 0.00 0.00 176.35 177.21 1uu4 s GLU 7 N -2.74 3.26 0.05 0.00 0.41 -1.26 -4.82 118.70 113.59 1uu4 s GLU 7 Ca 0.10 1.17 -0.31 0.00 -0.41 0.00 0.00 54.97 55.51 1uu4 s GLU 7 Cb 0.16 -2.03 -0.10 0.00 -1.78 0.00 0.00 34.13 30.38 1uu4 s GLU 7 CO 0.74 -0.86 1.89 -0.11 -0.49 0.00 0.00 175.26 176.44 1uu4 n LEU 8 N -2.20 3.94 -2.27 1.80 7.94 -1.26 -1.37 117.00 123.57 1uu4 n LEU 8 Ca 0.09 0.95 -0.21 0.00 -1.11 0.00 0.00 56.01 55.73 1uu4 n LEU 8 Cb 0.53 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.96 1uu4 n LEU 8 CO 0.48 0.12 -0.26 -1.22 -1.11 0.00 0.00 177.39 175.41 1uu4 n TYR 9 N 6.53 -0.87 -1.70 1.96 4.01 -0.47 -4.97 117.16 121.64 1uu4 n TYR 9 Ca 0.20 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.50 1uu4 n TYR 9 Cb 0.37 -3.89 -0.02 0.00 -0.31 0.00 0.00 39.34 35.49 1uu4 n TYR 9 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uu4 n GLY 10 N -0.95 0.87 2.91 2.72 0.00 -0.47 -4.70 105.19 105.56 1uu4 n GLY 10 Ca -0.24 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1uu4 n GLY 10 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uu4 s TYR 11 N -0.36 0.19 0.03 1.61 5.04 -1.26 -0.83 117.35 121.77 1uu4 s TYR 11 Ca 0.63 -0.06 0.03 0.00 -2.44 0.00 0.00 57.07 55.23 1uu4 s TYR 11 Cb -0.59 -0.12 -0.02 0.00 0.35 0.00 0.00 41.96 41.58 1uu4 s TYR 11 CO 0.53 -0.01 -0.09 -0.46 -1.34 0.00 0.00 175.55 174.19 1uu4 s TRP 12 N -0.13 0.75 0.02 4.97 -0.00 -0.66 -5.00 118.94 118.89 1uu4 s TRP 12 Ca -0.00 -0.37 -0.05 0.00 -0.00 0.00 0.00 56.10 55.68 1uu4 s TRP 12 Cb -0.01 -0.45 -0.01 0.00 -0.00 0.00 0.00 33.47 33.00 1uu4 s TRP 12 CO -0.00 -0.04 0.08 -1.54 -0.00 0.00 0.00 176.95 175.46 1uu4 s SER 13 N -1.16 0.15 0.00 5.86 1.04 -1.26 -0.77 113.70 117.56 1uu4 s SER 13 Ca -0.05 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1uu4 s SER 13 Cb -0.08 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1uu4 s SER 13 CO 0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1uu4 n GLY 14 N 1.12 1.72 2.42 7.32 0.00 -0.54 -5.00 105.19 112.24 1uu4 n GLY 14 Ca -0.21 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1uu4 n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uu4 n ASN 15 N 0.00 -5.15 -0.01 1.61 5.03 -1.26 -1.41 115.26 114.07 1uu4 n ASN 15 Ca 0.00 0.26 -0.00 0.00 0.87 0.00 0.00 54.58 55.70 1uu4 n ASN 15 Cb 0.00 -4.45 -0.00 0.00 -1.02 0.00 0.00 39.78 34.31 1uu4 n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1uu4 n GLY 16 N -0.65 0.48 3.58 7.41 0.00 -1.26 -5.03 105.19 109.72 1uu4 n GLY 16 Ca -0.20 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 1uu4 n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uu4 s TYR 17 N -1.97 2.45 0.08 1.61 2.02 -0.50 -1.02 117.35 120.02 1uu4 s TYR 17 Ca 0.00 -0.54 -0.08 0.00 -0.37 0.00 0.00 57.07 56.08 1uu4 s TYR 17 Cb 0.00 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1uu4 s TYR 17 CO 0.00 0.53 0.16 -1.83 -1.57 0.00 0.00 175.55 172.84 1uu4 s GLU 18 N -3.66 0.79 -0.02 -0.62 -1.05 -0.26 -1.46 118.70 112.43 1uu4 s GLU 18 Ca 0.34 -0.94 0.01 0.00 -0.15 0.00 0.00 54.97 54.22 1uu4 s GLU 18 Cb 0.04 0.32 0.01 0.00 -0.44 0.00 0.00 34.13 34.06 1uu4 s GLU 18 CO 0.17 -0.24 -0.01 -1.17 0.95 0.00 0.00 175.26 174.96 1uu4 s LEU 19 N -2.75 1.59 -0.03 1.83 2.96 0.05 -0.68 118.68 121.64 1uu4 s LEU 19 Ca 0.04 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1uu4 s LEU 19 Cb 0.04 -0.18 0.03 0.00 0.50 0.00 0.00 46.19 46.58 1uu4 s LEU 19 CO -0.10 -0.03 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.68 1uu4 s LEU 20 N 0.47 1.15 -1.31 -0.68 2.96 -0.80 -1.66 118.68 118.81 1uu4 s LEU 20 Ca -0.05 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 1uu4 s LEU 20 Cb -0.07 -0.23 0.06 0.00 0.50 0.00 0.00 46.19 46.44 1uu4 s LEU 20 CO -0.01 -0.10 1.81 -3.20 -1.32 0.00 0.00 176.35 173.53 1uu4 n ASN 21 N 4.17 4.70 -3.95 3.68 4.05 -0.01 -2.90 115.26 125.00 1uu4 n ASN 21 Ca -0.26 -2.90 -0.43 0.00 0.45 0.00 0.00 54.58 51.45 1uu4 n ASN 21 Cb 0.50 -1.73 0.00 0.00 1.23 0.00 0.00 39.78 39.78 1uu4 n ASN 21 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1uu4 n ASN 22 N 8.42 5.32 -3.25 1.20 4.05 -1.26 -1.37 115.26 128.37 1uu4 n ASN 22 Ca 0.49 -3.14 -0.37 0.00 0.45 0.00 0.00 54.58 52.01 1uu4 n ASN 22 Cb 0.45 -1.45 -0.02 0.00 1.23 0.00 0.00 39.78 39.99 1uu4 n ASN 22 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1uu4 n LEU 23 N 3.61 7.82 0.27 1.20 4.77 -1.26 -1.30 117.00 132.10 1uu4 n LEU 23 Ca 0.37 -4.63 0.15 0.00 -0.03 0.00 0.00 56.01 51.87 1uu4 n LEU 23 Cb 0.36 -1.37 0.68 0.00 -2.33 0.00 0.00 43.42 40.76 1uu4 n LEU 23 CO 0.78 2.00 0.95 4.11 -1.33 0.00 0.00 177.39 183.90 1uu4 h TRP 24 N 4.35 0.00 -0.34 -1.77 5.08 -1.86 -2.76 115.95 118.65 1uu4 h TRP 24 Ca 0.66 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.63 1uu4 h TRP 24 Cb 0.41 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1uu4 h TRP 24 CO 1.63 0.08 0.00 0.41 -1.28 0.00 0.00 178.44 179.29 1uu4 n GLY 25 N -0.15 3.27 0.29 11.11 0.00 -0.13 -4.78 105.19 114.81 1uu4 n GLY 25 Ca -0.00 -0.68 0.18 0.00 0.00 0.00 0.00 46.02 45.52 1uu4 n GLY 25 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uu4 h LYS 26 N 2.11 0.00 0.00 1.61 5.09 -1.16 -2.06 116.57 122.17 1uu4 h LYS 26 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1uu4 h LYS 26 Cb 1.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.41 1uu4 h LYS 26 CO 0.11 0.02 0.00 -0.25 -2.09 0.00 0.00 179.45 177.24 1uu4 n ASP 27 N -3.16 0.71 0.01 7.07 8.00 -1.26 -1.69 116.55 126.23 1uu4 n ASP 27 Ca -0.01 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.29 1uu4 n ASP 27 Cb 0.24 -0.82 0.51 0.00 -0.02 0.00 0.00 41.12 41.03 1uu4 n ASP 27 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1uu4 n THR 28 N -2.27 0.08 -2.64 -3.53 -2.24 -0.77 -4.87 114.28 98.03 1uu4 n THR 28 Ca 0.02 -0.04 -0.37 0.00 -2.27 0.00 0.00 64.05 61.39 1uu4 n THR 28 Cb 0.25 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 1uu4 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uu4 s ALA 29 N -3.02 3.20 -0.35 6.98 0.00 -0.68 -4.27 121.76 123.62 1uu4 s ALA 29 Ca 0.13 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.98 1uu4 s ALA 29 Cb 0.18 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 20.16 1uu4 s ALA 29 CO 0.58 -0.03 1.15 1.79 0.00 0.00 0.00 175.76 179.25 1uu4 h THR 30 N 2.56 0.00 -2.56 0.00 1.35 -1.30 -3.48 112.91 109.47 1uu4 h THR 30 Ca -0.47 -0.87 0.03 0.00 -0.55 0.00 0.00 66.41 64.54 1uu4 h THR 30 Cb 1.20 1.43 -0.14 0.00 -1.73 0.00 0.00 68.15 68.91 1uu4 h THR 30 CO 0.64 0.00 0.33 -0.94 -0.25 0.00 0.00 175.52 175.30 1uu4 s SER 31 N -5.14 -0.49 0.00 5.36 1.04 -1.23 -4.99 113.70 108.23 1uu4 s SER 31 Ca 0.02 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1uu4 s SER 31 Cb 0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1uu4 s SER 31 CO 0.77 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1uu4 n GLY 32 N -0.14 1.48 3.83 7.32 0.00 -1.26 -1.85 105.19 114.57 1uu4 n GLY 32 Ca -0.14 -2.24 -0.07 0.00 0.00 0.00 0.00 46.02 43.57 1uu4 n GLY 32 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1uu4 s TRP 33 N -1.35 0.13 -0.23 1.61 -0.11 -0.77 -4.99 118.94 113.23 1uu4 s TRP 33 Ca 0.00 -0.75 -0.25 0.00 1.22 0.00 0.00 56.10 56.33 1uu4 s TRP 33 Cb 0.00 0.81 0.07 0.00 -1.50 0.00 0.00 33.47 32.85 1uu4 s TRP 33 CO 0.00 -1.43 0.68 -1.14 -4.62 0.00 0.00 176.95 170.44 1uu4 s GLN 34 N -2.17 0.83 0.07 5.86 0.74 -1.26 -1.87 119.66 121.86 1uu4 s GLN 34 Ca 0.17 0.86 0.07 0.00 0.05 0.00 0.00 55.36 56.52 1uu4 s GLN 34 Cb -0.04 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.44 1uu4 s GLN 34 CO 0.10 -0.12 -0.18 0.00 -0.55 0.00 0.00 175.29 174.54 1uu4 s THR 36 N -1.07 2.49 -0.10 0.00 2.01 -0.82 -1.70 115.64 116.44 1uu4 s THR 36 Ca 0.04 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1uu4 s THR 36 Cb -0.09 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.46 1uu4 s THR 36 CO 0.03 0.56 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.97 1uu4 s TYR 37 N -0.09 2.53 -0.39 4.92 2.02 0.59 0.12 117.35 127.04 1uu4 s TYR 37 Ca -0.04 -1.03 -0.23 0.00 -0.37 0.00 0.00 57.07 55.40 1uu4 s TYR 37 Cb -0.14 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1uu4 s TYR 37 CO 0.04 -0.41 0.78 -1.17 -1.57 0.00 0.00 175.55 173.22 1uu4 s LEU 38 N 0.34 4.17 -0.06 -1.29 2.96 -0.37 -1.35 118.68 123.07 1uu4 s LEU 38 Ca -0.19 0.20 0.14 0.00 -0.22 0.00 0.00 54.13 54.06 1uu4 s LEU 38 Cb -0.18 -3.00 -0.23 0.00 0.50 0.00 0.00 46.19 43.28 1uu4 s LEU 38 CO 0.09 -0.79 0.57 0.47 -1.32 0.00 0.00 176.35 175.36 1uu4 n ASP 39 N 6.52 0.71 -3.61 3.68 8.00 0.03 -0.58 116.55 131.30 1uu4 n ASP 39 Ca 0.03 0.33 -0.03 0.00 0.71 0.00 0.00 54.79 55.83 1uu4 n ASP 39 Cb 0.48 0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.73 1uu4 n ASP 39 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1uu4 s GLY 40 N -5.14 -0.31 -0.37 0.44 0.00 -0.73 -4.41 107.32 96.80 1uu4 s GLY 40 Ca -0.05 1.47 0.12 0.00 0.00 0.00 0.00 44.72 46.25 1uu4 s GLY 40 CO 0.83 0.46 1.04 -1.30 0.00 0.00 0.00 173.10 174.13 1uu4 n THR 41 N -0.16 1.71 -2.85 0.90 -2.24 -1.26 -1.17 114.28 109.20 1uu4 n THR 41 Ca -0.01 -3.97 -0.38 0.00 -2.27 0.00 0.00 64.05 57.42 1uu4 n THR 41 Cb 0.59 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1uu4 n THR 41 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1uu4 s ASN 42 N -3.36 7.40 -1.29 3.42 0.01 -1.23 -4.47 114.94 115.42 1uu4 s ASN 42 Ca 0.38 1.78 -0.08 0.00 -0.71 0.00 0.00 52.86 54.22 1uu4 s ASN 42 Cb 0.42 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.54 1uu4 s ASN 42 CO -0.07 0.06 1.06 0.59 -1.51 0.00 0.00 177.10 177.23 1uu4 n ASN 43 N 1.02 -6.09 0.00 -1.22 3.02 -1.26 -2.05 115.26 108.68 1uu4 n ASN 43 Ca -0.01 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1uu4 n ASN 43 Cb 0.49 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.93 1uu4 n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uu4 n GLY 44 N -1.88 0.51 2.46 7.41 0.00 -1.26 -4.99 105.19 107.43 1uu4 n GLY 44 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1uu4 n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uu4 n GLY 45 N -1.95 3.66 3.16 -0.02 0.00 -0.87 -4.77 105.19 104.40 1uu4 n GLY 45 Ca 0.00 -2.23 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 1uu4 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uu4 s ILE 46 N -2.40 1.52 -0.14 -0.61 -1.09 -0.11 -3.51 121.20 114.86 1uu4 s ILE 46 Ca 0.05 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 1uu4 s ILE 46 Cb 0.00 -1.30 -0.01 0.00 -1.58 0.00 0.00 42.46 39.57 1uu4 s ILE 46 CO 0.04 0.43 -0.14 -1.10 -1.23 0.00 0.00 174.94 172.94 1uu4 s GLN 47 N -0.03 3.33 0.26 2.79 1.11 -0.32 -0.89 119.66 125.91 1uu4 s GLN 47 Ca -0.03 -0.71 -0.19 0.00 0.01 0.00 0.00 55.36 54.45 1uu4 s GLN 47 Cb -0.11 -2.62 0.02 0.00 -1.01 0.00 0.00 33.01 29.28 1uu4 s GLN 47 CO 0.02 0.16 0.63 1.67 0.01 0.00 0.00 175.29 177.79 1uu4 s TRP 48 N 0.47 -0.06 0.14 0.91 1.48 -0.79 -0.79 118.94 120.30 1uu4 s TRP 48 Ca -0.10 -0.35 -0.11 0.00 -1.06 0.00 0.00 56.10 54.48 1uu4 s TRP 48 Cb -0.16 0.54 0.01 0.00 -1.16 0.00 0.00 33.47 32.69 1uu4 s TRP 48 CO 0.05 -1.13 0.30 -1.12 -4.06 0.00 0.00 176.95 171.00 1uu4 s SER 49 N -2.93 -0.02 -0.08 -2.66 0.01 -0.46 -0.01 113.70 107.55 1uu4 s SER 49 Ca 0.13 -0.66 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 1uu4 s SER 49 Cb -0.04 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.65 1uu4 s SER 49 CO 0.06 -0.86 0.21 0.28 0.41 0.00 0.00 173.24 173.34 1uu4 s THR 50 N -3.90 -0.02 -0.01 1.44 -1.32 -0.18 -0.30 115.64 111.36 1uu4 s THR 50 Ca 0.10 0.06 0.06 0.00 -1.21 0.00 0.00 61.69 60.70 1uu4 s THR 50 Cb 0.03 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.68 1uu4 s THR 50 CO -0.06 0.02 -0.17 0.00 -2.21 0.00 0.00 174.62 172.20 1uu4 s ALA 51 N 0.53 2.56 0.13 11.08 0.00 -0.69 -1.07 121.76 134.30 1uu4 s ALA 51 Ca -0.03 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 1uu4 s ALA 51 Cb -0.05 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.33 1uu4 s ALA 51 CO -0.03 0.56 0.63 1.67 0.00 0.00 0.00 175.76 178.60 1uu4 s TRP 52 N -0.80 -0.53 -0.13 0.00 1.48 -0.54 -1.50 118.94 116.92 1uu4 s TRP 52 Ca 0.13 0.39 -0.07 0.00 -1.06 0.00 0.00 56.10 55.49 1uu4 s TRP 52 Cb -0.10 0.54 0.05 0.00 -1.16 0.00 0.00 33.47 32.80 1uu4 s TRP 52 CO 0.02 -0.80 0.31 -1.83 -4.06 0.00 0.00 176.95 170.59 1uu4 s GLU 53 N -3.45 0.29 0.01 3.25 -1.05 -0.78 -1.06 118.70 115.90 1uu4 s GLU 53 Ca 0.00 0.60 0.00 0.00 -0.15 0.00 0.00 54.97 55.42 1uu4 s GLU 53 Cb -0.01 -0.05 -0.01 0.00 -0.44 0.00 0.00 34.13 33.63 1uu4 s GLU 53 CO -0.10 -0.14 -0.02 -1.58 0.95 0.00 0.00 175.26 174.37 1uu4 s TRP 54 N 1.14 0.14 0.14 4.83 0.52 -0.38 -1.85 118.94 123.48 1uu4 s TRP 54 Ca -0.08 -0.19 0.07 0.00 0.02 0.00 0.00 56.10 55.92 1uu4 s TRP 54 Cb -0.08 -0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.10 1uu4 s TRP 54 CO -0.09 -0.06 -0.16 -0.65 0.02 0.00 0.00 176.95 176.02 1uu4 s GLN 55 N -0.51 1.14 0.00 4.98 -0.21 -0.77 -1.07 119.66 123.22 1uu4 s GLN 55 Ca -0.05 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.00 1uu4 s GLN 55 Cb -0.04 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.90 1uu4 s GLN 55 CO -0.00 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.79 1uu4 n GLY 56 N 0.37 1.95 3.58 3.09 0.00 -1.26 -0.86 105.19 112.05 1uu4 n GLY 56 Ca -0.14 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 1uu4 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uu4 n ALA 57 N 1.82 -2.67 0.27 4.61 0.00 -1.26 -4.76 120.51 118.52 1uu4 n ALA 57 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.36 1uu4 n ALA 57 Cb 0.00 -1.63 0.60 0.00 0.00 0.00 0.00 19.45 18.42 1uu4 n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uu4 h PRO 58 N -0.48 0.00 -0.02 0.00 0.13 -1.95 -0.79 132.00 128.89 1uu4 h PRO 58 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1uu4 h PRO 58 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uu4 h PRO 58 CO 0.38 0.00 -0.04 -0.25 -0.23 0.00 0.00 178.00 177.86 1uu4 n ASP 59 N -2.35 2.37 -4.62 1.44 8.00 -1.26 -4.79 116.55 115.35 1uu4 n ASP 59 Ca -0.00 -1.76 -0.37 0.00 0.71 0.00 0.00 54.79 53.37 1uu4 n ASP 59 Cb 0.13 0.04 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 1uu4 n ASP 59 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1uu4 s ASN 60 N -2.05 5.90 0.20 -2.24 -0.87 -0.30 -5.07 114.94 110.51 1uu4 s ASN 60 Ca 0.31 0.04 -0.31 0.00 -1.57 0.00 0.00 52.86 51.33 1uu4 s ASN 60 Cb 0.20 -2.07 -0.10 0.00 -0.02 0.00 0.00 41.25 39.26 1uu4 s ASN 60 CO 0.34 0.04 1.55 -0.69 -2.57 0.00 0.00 177.10 175.78 1uu4 s VAL 61 N 1.18 2.54 -0.06 1.60 1.01 -1.26 -4.62 120.40 120.78 1uu4 s VAL 61 Ca 0.07 0.41 0.12 0.00 0.00 0.00 0.00 61.98 62.57 1uu4 s VAL 61 Cb -0.14 -3.26 -0.23 0.00 0.00 0.00 0.00 36.38 32.75 1uu4 s VAL 61 CO 0.05 0.04 0.59 0.29 0.00 0.00 0.00 175.10 176.07 1uu4 n LYS 62 N 3.48 0.64 -3.44 2.72 4.76 0.05 -4.07 118.16 122.30 1uu4 n LYS 62 Ca 0.12 0.27 -0.13 0.00 -2.87 0.00 0.00 58.31 55.70 1uu4 n LYS 62 Cb 0.39 -1.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 1uu4 n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1uu4 s SER 63 N -6.09 -0.57 -0.42 4.39 1.04 -1.18 -0.95 113.70 109.92 1uu4 s SER 63 Ca -0.06 0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.52 1uu4 s SER 63 Cb 0.08 0.59 0.23 0.00 0.10 0.00 0.00 66.02 67.01 1uu4 s SER 63 CO 0.82 -0.91 0.54 0.00 0.98 0.00 0.00 173.24 174.67 1uu4 n TYR 64 N -0.19 -1.12 -1.86 5.02 9.36 -0.42 -1.57 117.16 126.38 1uu4 n TYR 64 Ca -0.17 -3.12 -0.41 0.00 3.32 0.00 0.00 57.90 57.52 1uu4 n TYR 64 Cb 0.64 0.17 -0.01 0.00 -0.63 0.00 0.00 39.34 39.51 1uu4 n TYR 64 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1uu4 s PRO 65 N -0.51 4.16 0.06 2.98 0.02 -1.24 -4.47 135.00 136.00 1uu4 s PRO 65 Ca 0.34 2.50 -0.10 0.00 0.02 0.00 0.00 61.00 63.76 1uu4 s PRO 65 Cb 0.14 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.66 1uu4 s PRO 65 CO -0.15 -0.48 0.21 1.52 -0.33 0.00 0.00 177.00 177.77 1uu4 s TYR 66 N -0.95 0.08 -0.12 6.54 -0.85 -1.14 -2.54 117.35 118.37 1uu4 s TYR 66 Ca 0.54 -0.39 -0.04 0.00 -0.52 0.00 0.00 57.07 56.66 1uu4 s TYR 66 Cb -0.45 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 41.83 1uu4 s TYR 66 CO 0.59 -0.50 0.03 0.54 -1.52 0.00 0.00 175.55 174.69 1uu4 s VAL 67 N -3.20 4.55 0.05 -3.49 0.11 -0.41 -1.90 120.40 116.11 1uu4 s VAL 67 Ca -0.00 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 1uu4 s VAL 67 Cb 0.02 -2.96 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1uu4 s VAL 67 CO -0.07 0.57 -0.19 -0.83 -3.33 0.00 0.00 175.10 171.25 1uu4 s GLY 68 N -0.55 1.03 -0.23 6.54 0.00 0.14 -1.38 107.32 112.88 1uu4 s GLY 68 Ca 0.10 -1.01 -0.24 0.00 0.00 0.00 0.00 44.72 43.57 1uu4 s GLY 68 CO 0.02 -0.95 0.81 1.25 0.00 0.00 0.00 173.10 174.23 1uu4 s LYS 69 N -1.23 4.21 0.27 2.90 2.47 -0.19 -1.10 119.74 127.06 1uu4 s LYS 69 Ca 0.06 0.93 -0.30 0.00 -1.56 0.00 0.00 55.97 55.10 1uu4 s LYS 69 Cb -0.09 -3.63 -0.10 0.00 -1.46 0.00 0.00 37.83 32.56 1uu4 s LYS 69 CO 0.02 -0.46 1.34 -0.65 0.16 0.00 0.00 175.35 175.76 1uu4 s GLN 70 N 2.64 4.35 0.07 4.03 -0.21 -0.18 -4.42 119.66 125.94 1uu4 s GLN 70 Ca 0.35 2.18 0.02 0.00 0.02 0.00 0.00 55.36 57.93 1uu4 s GLN 70 Cb -0.16 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.70 1uu4 s GLN 70 CO 0.09 -0.26 -0.08 0.96 -2.12 0.00 0.00 175.29 173.88 1uu4 s ILE 71 N -0.44 0.66 0.12 1.08 -5.25 -1.26 -4.96 121.20 111.15 1uu4 s ILE 71 Ca 0.54 -1.44 -0.24 0.00 -0.99 0.00 0.00 60.65 58.53 1uu4 s ILE 71 Cb -0.39 -1.07 -0.07 0.00 2.95 0.00 0.00 42.46 43.88 1uu4 s ILE 71 CO 0.45 -0.56 0.72 -1.58 -1.79 0.00 0.00 174.94 172.18 1uu4 s GLN 72 N -2.48 4.47 0.61 0.37 0.74 -1.26 -5.05 119.66 117.07 1uu4 s GLN 72 Ca -0.01 1.04 -0.16 0.00 0.05 0.00 0.00 55.36 56.28 1uu4 s GLN 72 Cb -0.04 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.77 1uu4 s GLN 72 CO -0.01 0.53 1.09 1.03 -0.55 0.00 0.00 175.29 177.38 1uu4 s ARG 73 N -0.93 3.10 0.00 1.67 0.52 -1.26 -4.17 118.95 117.88 1uu4 s ARG 73 Ca 0.34 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 1uu4 s ARG 73 Cb -0.22 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1uu4 s ARG 73 CO 0.24 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 174.96 1uu4 n GLY 74 N -0.59 0.76 3.52 -3.53 0.00 -1.26 -5.05 105.19 99.03 1uu4 n GLY 74 Ca 0.10 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1uu4 n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uu4 s ARG 75 N -0.71 3.33 0.39 1.61 0.52 -1.26 -5.00 118.95 117.83 1uu4 s ARG 75 Ca 0.00 -0.52 -0.26 0.00 -0.52 0.00 0.00 55.73 54.43 1uu4 s ARG 75 Cb 0.00 -3.89 -0.09 0.00 0.52 0.00 0.00 34.95 31.49 1uu4 s ARG 75 CO 0.00 -0.75 1.27 0.15 0.02 0.00 0.00 175.30 175.99 1uu4 s LYS 76 N 2.23 4.07 0.31 3.54 -0.14 -1.26 -1.40 119.74 127.08 1uu4 s LYS 76 Ca 0.14 2.09 -0.00 0.00 -1.36 0.00 0.00 55.97 56.84 1uu4 s LYS 76 Cb -0.16 -2.80 0.50 0.00 -1.68 0.00 0.00 37.83 33.68 1uu4 s LYS 76 CO 0.14 -0.39 1.95 0.82 -0.76 0.00 0.00 175.35 177.11 1uu4 h ILE 77 N 2.55 1.15 0.00 2.17 1.08 -0.87 -0.20 117.51 123.39 1uu4 h ILE 77 Ca -0.49 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1uu4 h ILE 77 Cb 1.24 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1uu4 h ILE 77 CO 0.63 0.19 -0.04 0.77 -0.69 0.00 0.00 178.15 179.02 1uu4 h SER 78 N 1.05 0.00 -0.34 1.72 4.64 -1.72 -2.19 113.55 116.72 1uu4 h SER 78 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1uu4 h SER 78 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1uu4 h SER 78 CO -0.09 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 176.38 1uu4 n ASP 79 N -3.55 3.00 -4.55 4.97 8.00 -0.10 -4.79 116.55 119.52 1uu4 n ASP 79 Ca -0.02 -1.93 -0.38 0.00 0.71 0.00 0.00 54.79 53.17 1uu4 n ASP 79 Cb 0.14 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.91 1uu4 n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uu4 s ILE 80 N -1.56 5.09 0.09 0.53 1.01 -0.83 -4.93 121.20 120.60 1uu4 s ILE 80 Ca 0.37 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.95 1uu4 s ILE 80 Cb 0.21 -3.45 -0.23 0.00 0.01 0.00 0.00 42.46 39.00 1uu4 s ILE 80 CO 0.30 0.23 1.21 -1.13 0.00 0.00 0.00 174.94 175.54 1uu4 h ASN 81 N 8.36 0.73 -4.25 3.58 -0.73 -1.85 -3.48 115.58 117.95 1uu4 h ASN 81 Ca -0.35 -0.62 -0.10 0.00 1.87 0.00 0.00 56.30 57.10 1uu4 h ASN 81 Cb 1.18 -0.23 -0.22 0.00 0.27 0.00 0.00 38.32 39.32 1uu4 h ASN 81 CO 0.57 1.43 -0.15 -0.55 -0.37 0.00 0.00 177.43 178.36 1uu4 s SER 82 N -7.24 -0.45 -0.49 1.15 0.15 -1.26 -4.88 113.70 100.68 1uu4 s SER 82 Ca -0.08 0.75 0.05 0.00 0.70 0.00 0.00 55.95 57.37 1uu4 s SER 82 Cb 0.07 0.78 0.19 0.00 -1.71 0.00 0.00 66.02 65.36 1uu4 s SER 82 CO 0.90 -0.27 0.45 0.23 1.20 0.00 0.00 173.24 175.75 1uu4 n MET 83 N 2.30 0.85 -3.05 5.44 2.81 -1.26 -1.54 117.12 122.67 1uu4 n MET 83 Ca -0.16 -3.60 -0.40 0.00 -1.81 0.00 0.00 57.70 51.74 1uu4 n MET 83 Cb 0.57 -1.76 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 1uu4 n MET 83 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1uu4 s ARG 84 N -0.74 4.44 -0.01 0.03 0.52 -1.04 -0.99 118.95 121.15 1uu4 s ARG 84 Ca 0.32 0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 56.26 1uu4 s ARG 84 Cb 0.06 -3.42 0.03 0.00 0.52 0.00 0.00 34.95 32.14 1uu4 s ARG 84 CO -0.16 0.14 0.39 -0.08 0.02 0.00 0.00 175.30 175.61 1uu4 s THR 85 N 0.51 0.05 0.03 0.02 -1.32 -0.51 -1.00 115.64 113.42 1uu4 s THR 85 Ca 0.37 -0.41 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1uu4 s THR 85 Cb -0.18 -0.75 -0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1uu4 s THR 85 CO 0.19 -0.22 -0.05 -0.94 -2.21 0.00 0.00 174.62 171.39 1uu4 s SER 86 N -1.45 0.49 -0.06 8.08 1.04 -0.63 -1.46 113.70 119.71 1uu4 s SER 86 Ca -0.11 -0.59 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 1uu4 s SER 86 Cb -0.03 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1uu4 s SER 86 CO 0.04 -0.31 0.22 0.54 0.98 0.00 0.00 173.24 174.71 1uu4 s VAL 87 N -1.79 0.02 -0.09 5.02 0.11 0.05 -1.67 120.40 122.06 1uu4 s VAL 87 Ca -0.11 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1uu4 s VAL 87 Cb -0.07 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1uu4 s VAL 87 CO -0.02 -0.10 -0.09 -0.55 -3.33 0.00 0.00 175.10 171.02 1uu4 s SER 88 N -0.31 1.91 0.15 3.54 0.15 -0.36 -1.21 113.70 117.57 1uu4 s SER 88 Ca -0.04 -0.28 -0.10 0.00 0.70 0.00 0.00 55.95 56.23 1uu4 s SER 88 Cb -0.03 -0.79 -0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1uu4 s SER 88 CO 0.01 -0.06 0.29 -1.66 1.20 0.00 0.00 173.24 173.02 1uu4 s TRP 89 N 1.27 0.31 0.03 3.44 1.48 -0.13 -0.26 118.94 125.08 1uu4 s TRP 89 Ca -0.03 -0.68 -0.03 0.00 -1.06 0.00 0.00 56.10 54.30 1uu4 s TRP 89 Cb -0.14 -0.02 -0.02 0.00 -1.16 0.00 0.00 33.47 32.13 1uu4 s TRP 89 CO -0.03 -0.71 0.02 0.95 -4.06 0.00 0.00 176.95 173.12 1uu4 s THR 90 N -3.94 0.14 -0.02 0.66 -4.23 -0.03 -4.73 115.64 103.50 1uu4 s THR 90 Ca 0.14 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1uu4 s THR 90 Cb 0.03 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 1uu4 s THR 90 CO -0.02 -0.66 -0.18 -0.31 -0.54 0.00 0.00 174.62 172.91 1uu4 s TYR 91 N -2.51 2.58 -0.98 3.99 2.02 -1.26 -0.68 117.35 120.52 1uu4 s TYR 91 Ca -0.06 -0.24 0.28 0.00 -0.37 0.00 0.00 57.07 56.68 1uu4 s TYR 91 Cb -0.02 -1.56 1.18 0.00 -0.40 0.00 0.00 41.96 41.16 1uu4 s TYR 91 CO -0.04 0.15 1.90 -0.40 -1.57 0.00 0.00 175.55 175.58 1uu4 n ASP 92 N 2.15 0.06 -3.52 2.29 5.75 -0.85 -4.84 116.55 117.59 1uu4 n ASP 92 Ca -0.17 0.51 -0.12 0.00 -0.01 0.00 0.00 54.79 55.00 1uu4 n ASP 92 Cb 0.52 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 1uu4 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uu4 s ARG 93 N -3.01 1.15 0.00 0.11 1.70 -1.26 -5.01 118.95 112.64 1uu4 s ARG 93 Ca 0.13 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 1uu4 s ARG 93 Cb 0.18 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 35.08 1uu4 s ARG 93 CO 0.52 -0.47 0.57 0.25 -1.08 0.00 0.00 175.30 175.09 1uu4 n THR 94 N -0.10 0.21 -1.79 4.99 -2.24 -1.26 -4.81 114.28 109.27 1uu4 n THR 94 Ca -0.17 -0.56 -0.40 0.00 -2.27 0.00 0.00 64.05 60.65 1uu4 n THR 94 Cb 0.63 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 1uu4 n THR 94 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1uu4 n ASP 95 N -0.10 8.11 -3.94 3.42 5.75 -1.26 -4.30 116.55 124.23 1uu4 n ASP 95 Ca 0.00 -2.96 -0.09 0.00 -0.01 0.00 0.00 54.79 51.74 1uu4 n ASP 95 Cb 0.08 -1.43 -0.09 0.00 -1.03 0.00 0.00 41.12 38.65 1uu4 n ASP 95 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1uu4 s ILE 96 N 0.00 0.16 -0.49 2.12 -4.36 -1.26 -4.69 121.20 112.68 1uu4 s ILE 96 Ca 0.58 -1.30 -0.16 0.00 -0.26 0.00 0.00 60.65 59.51 1uu4 s ILE 96 Cb 0.18 -1.22 0.08 0.00 1.25 0.00 0.00 42.46 42.74 1uu4 s ILE 96 CO -0.08 -0.72 0.46 -0.13 0.24 0.00 0.00 174.94 174.72 1uu4 s ARG 97 N -3.42 3.01 -0.03 0.37 0.52 -0.44 -1.86 118.95 117.09 1uu4 s ARG 97 Ca 0.02 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 53.63 1uu4 s ARG 97 Cb 0.03 -4.15 0.11 0.00 0.52 0.00 0.00 34.95 31.46 1uu4 s ARG 97 CO -0.08 -1.12 0.92 0.00 0.02 0.00 0.00 175.30 175.03 1uu4 s ALA 98 N 1.87 -1.85 0.42 2.13 0.00 -1.12 -1.00 121.76 122.20 1uu4 s ALA 98 Ca 0.06 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1uu4 s ALA 98 Cb -0.24 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1uu4 s ALA 98 CO 0.07 -0.64 0.07 0.54 0.00 0.00 0.00 175.76 175.80 1uu4 s ASN 99 N -2.30 3.16 -0.06 0.00 2.20 -0.51 -1.00 114.94 116.44 1uu4 s ASN 99 Ca 0.04 -1.58 0.05 0.00 -0.94 0.00 0.00 52.86 50.43 1uu4 s ASN 99 Cb -0.01 0.30 -0.00 0.00 -2.00 0.00 0.00 41.25 39.54 1uu4 s ASN 99 CO -0.07 -0.80 -0.21 -0.69 -2.94 0.00 0.00 177.10 172.39 1uu4 s VAL 100 N -3.09 1.77 -0.15 3.54 1.01 -1.19 -3.03 120.40 119.26 1uu4 s VAL 100 Ca 0.23 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 1uu4 s VAL 100 Cb 0.04 -1.51 0.06 0.00 0.00 0.00 0.00 36.38 34.97 1uu4 s VAL 100 CO 0.12 0.50 0.64 0.00 0.00 0.00 0.00 175.10 176.36 1uu4 s ALA 101 N 0.06 -1.63 0.40 5.51 0.00 -0.22 -0.11 121.76 125.76 1uu4 s ALA 101 Ca -0.07 1.53 -0.24 0.00 0.00 0.00 0.00 51.96 53.18 1uu4 s ALA 101 Cb -0.14 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1uu4 s ALA 101 CO 0.04 -0.33 1.06 0.71 0.00 0.00 0.00 175.76 177.23 1uu4 s TYR 102 N -0.41 3.25 -0.05 0.00 1.51 0.04 -1.48 117.35 120.21 1uu4 s TYR 102 Ca -0.06 1.64 0.00 0.00 -1.01 0.00 0.00 57.07 57.64 1uu4 s TYR 102 Cb -0.03 -3.14 0.02 0.00 -0.11 0.00 0.00 41.96 38.71 1uu4 s TYR 102 CO 0.05 -0.67 -0.02 0.34 -1.11 0.00 0.00 175.55 174.14 1uu4 s ASP 103 N -1.55 1.00 -0.05 2.29 2.15 -0.10 -1.90 116.67 118.51 1uu4 s ASP 103 Ca 0.58 -0.09 0.02 0.00 0.43 0.00 0.00 52.55 53.48 1uu4 s ASP 103 Cb -0.22 -0.39 0.02 0.00 -0.30 0.00 0.00 42.92 42.02 1uu4 s ASP 103 CO 0.28 -0.10 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.41 1uu4 s VAL 104 N 1.23 0.78 -0.02 1.11 1.01 -0.05 -1.45 120.40 123.01 1uu4 s VAL 104 Ca -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1uu4 s VAL 104 Cb -0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1uu4 s VAL 104 CO -0.02 0.28 -0.08 -0.36 0.00 0.00 0.00 175.10 174.92 1uu4 s PHE 105 N 0.81 2.88 0.11 5.22 0.08 -1.15 -0.67 117.98 125.26 1uu4 s PHE 105 Ca -0.13 -0.04 0.04 0.00 0.12 0.00 0.00 56.93 56.93 1uu4 s PHE 105 Cb -0.15 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 1uu4 s PHE 105 CO 0.02 0.35 -0.11 0.95 -0.10 0.00 0.00 175.22 176.32 1uu4 s THR 106 N -0.93 1.07 -0.04 0.64 -4.23 -0.56 -0.93 115.64 110.67 1uu4 s THR 106 Ca 0.15 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 58.71 1uu4 s THR 106 Cb -0.11 -1.49 0.04 0.00 1.34 0.00 0.00 72.50 72.28 1uu4 s THR 106 CO 0.05 -0.56 0.48 0.00 -0.54 0.00 0.00 174.62 174.06 1uu4 s ALA 107 N -2.54 -1.24 0.28 3.99 0.00 -0.55 -0.27 121.76 121.43 1uu4 s ALA 107 Ca 0.08 0.81 0.05 0.00 0.00 0.00 0.00 51.96 52.90 1uu4 s ALA 107 Cb -0.02 0.01 0.41 0.00 0.00 0.00 0.00 23.12 23.52 1uu4 s ALA 107 CO 0.01 -0.31 1.69 -0.09 0.00 0.00 0.00 175.76 177.06 1uu4 h ARG 108 N 3.52 0.33 -6.42 0.00 2.43 -1.88 0.67 114.38 113.03 1uu4 h ARG 108 Ca -0.28 -0.15 -0.58 0.00 -0.81 0.00 0.00 59.98 58.16 1uu4 h ARG 108 Cb 1.16 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 1uu4 h ARG 108 CO 0.39 0.67 0.78 0.34 -1.51 0.00 0.00 179.97 180.64 1uu4 s ASP 109 N -6.86 6.66 0.48 -3.80 -1.08 -1.26 -4.73 116.67 106.07 1uu4 s ASP 109 Ca -0.05 0.51 0.32 0.00 -0.52 0.00 0.00 52.55 52.81 1uu4 s ASP 109 Cb 0.13 -2.51 1.51 0.00 -1.46 0.00 0.00 42.92 40.59 1uu4 s ASP 109 CO 0.78 -1.08 1.97 1.55 0.52 0.00 0.00 175.17 178.91 1uu4 h PRO 110 N 8.88 0.00 -0.64 4.34 0.13 -1.95 -2.02 132.00 140.74 1uu4 h PRO 110 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1uu4 h PRO 110 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1uu4 h PRO 110 CO 1.07 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.59 1uu4 n ASP 111 N -2.78 4.78 -4.76 1.44 8.00 -1.26 -4.44 116.55 117.54 1uu4 n ASP 111 Ca -0.00 -2.65 -0.41 0.00 0.71 0.00 0.00 54.79 52.44 1uu4 n ASP 111 Cb 0.19 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1uu4 n ASP 111 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1uu4 s HIS 112 N -2.25 2.78 0.84 1.24 2.46 -0.76 -4.94 115.29 114.65 1uu4 s HIS 112 Ca 0.46 0.93 -0.13 0.00 0.47 0.00 0.00 55.06 56.80 1uu4 s HIS 112 Cb 0.33 -4.00 0.08 0.00 -0.13 0.00 0.00 32.58 28.86 1uu4 s HIS 112 CO 0.17 -3.23 1.04 -2.30 -2.47 0.00 0.00 174.74 167.95 1uu4 n PRO 113 N 1.78 0.01 0.00 2.88 -0.02 -1.26 -4.89 135.00 133.49 1uu4 n PRO 113 Ca 0.06 0.08 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1uu4 n PRO 113 Cb 0.38 -2.31 0.50 0.00 -0.02 0.00 0.00 33.50 32.05 1uu4 n PRO 113 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1uu4 n ASN 114 N -2.99 0.00 0.00 2.55 4.13 -1.26 -3.15 115.26 114.54 1uu4 n ASN 114 Ca 0.12 0.10 0.13 0.00 1.68 0.00 0.00 54.58 56.61 1uu4 n ASN 114 Cb 0.51 -0.33 0.63 0.00 -1.54 0.00 0.00 39.78 39.05 1uu4 n ASN 114 CO 0.00 0.00 0.00 -2.67 0.28 0.00 0.00 177.26 174.87 1uu4 n TRP 115 N -1.33 0.00 -2.84 3.10 4.27 -1.26 -4.90 117.44 114.48 1uu4 n TRP 115 Ca 0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.70 1uu4 n TRP 115 Cb 0.18 -0.34 0.00 0.00 -1.36 0.00 0.00 31.31 29.79 1uu4 n TRP 115 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1uu4 n GLY 116 N 0.97 1.13 0.00 -1.67 0.00 -1.19 -5.16 105.19 99.28 1uu4 n GLY 116 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1uu4 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uu4 n GLY 117 N 0.00 0.72 0.20 -0.02 0.00 -1.26 -4.75 105.19 100.07 1uu4 n GLY 117 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1uu4 n GLY 117 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uu4 h ASP 118 N 0.00 0.67 -4.64 1.61 3.32 -1.00 -3.42 116.42 112.95 1uu4 h ASP 118 Ca 0.00 -0.42 -0.32 0.00 0.02 0.00 0.00 57.03 56.30 1uu4 h ASP 118 Cb 0.00 -0.20 -0.21 0.00 0.22 0.00 0.00 39.33 39.14 1uu4 h ASP 118 CO 0.00 1.18 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.64 1uu4 s TYR 119 N -3.75 0.88 -0.05 4.55 1.51 -0.87 -1.86 117.35 117.76 1uu4 s TYR 119 Ca -0.08 -0.50 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 1uu4 s TYR 119 Cb 0.10 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 1uu4 s TYR 119 CO 0.86 -0.03 -0.12 -2.00 -1.11 0.00 0.00 175.55 173.15 1uu4 s GLU 120 N -1.74 1.51 -0.20 -0.62 2.12 -0.12 -1.50 118.70 118.16 1uu4 s GLU 120 Ca -0.06 -0.43 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 1uu4 s GLU 120 Cb -0.09 -1.30 0.01 0.00 0.26 0.00 0.00 34.13 33.01 1uu4 s GLU 120 CO 0.01 0.10 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.53 1uu4 s LEU 121 N 0.40 2.52 -0.01 2.70 0.20 0.15 -0.80 118.68 123.84 1uu4 s LEU 121 Ca -0.09 -0.59 0.05 0.00 0.69 0.00 0.00 54.13 54.20 1uu4 s LEU 121 Cb -0.13 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 1uu4 s LEU 121 CO 0.02 -0.02 -0.16 -0.04 -0.29 0.00 0.00 176.35 175.86 1uu4 s MET 122 N 1.36 2.30 -0.27 1.98 -1.94 0.23 -0.87 119.30 122.09 1uu4 s MET 122 Ca 0.05 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 1uu4 s MET 122 Cb -0.14 -2.28 0.07 0.00 2.01 0.00 0.00 34.83 34.49 1uu4 s MET 122 CO -0.09 0.58 -0.04 0.42 -0.01 0.00 0.00 175.02 175.89 1uu4 s ILE 123 N -0.81 1.89 -0.01 2.53 1.01 -0.80 -0.95 121.20 124.07 1uu4 s ILE 123 Ca 0.13 -1.65 -0.24 0.00 0.00 0.00 0.00 60.65 58.89 1uu4 s ILE 123 Cb -0.11 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.15 1uu4 s ILE 123 CO 0.03 -0.23 0.73 0.26 0.00 0.00 0.00 174.94 175.72 1uu4 s TRP 124 N 1.19 3.66 -0.91 3.97 0.52 -0.04 -0.78 118.94 126.55 1uu4 s TRP 124 Ca -0.02 1.36 0.12 0.00 0.02 0.00 0.00 56.10 57.58 1uu4 s TRP 124 Cb -0.19 -2.80 -0.05 0.00 -1.15 0.00 0.00 33.47 29.28 1uu4 s TRP 124 CO -0.07 0.20 0.63 1.28 0.02 0.00 0.00 176.95 179.01 1uu4 n LEU 125 N 3.22 1.07 -3.59 2.99 4.77 0.84 -3.99 117.00 122.31 1uu4 n LEU 125 Ca -0.02 -0.67 -0.16 0.00 -0.03 0.00 0.00 56.01 55.13 1uu4 n LEU 125 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1uu4 n LEU 125 CO 0.47 0.22 0.29 0.00 -1.33 0.00 0.00 177.39 177.05 1uu4 s ALA 126 N -1.74 -1.41 -0.34 -1.18 0.00 -1.16 -0.41 121.76 115.52 1uu4 s ALA 126 Ca 0.08 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.94 1uu4 s ALA 126 Cb 0.09 0.12 0.15 0.00 0.00 0.00 0.00 23.12 23.48 1uu4 s ALA 126 CO 0.36 -0.38 0.33 0.50 0.00 0.00 0.00 175.76 176.58 1uu4 s ARG 127 N -1.56 0.52 0.03 0.00 3.52 -1.26 -3.17 118.95 117.02 1uu4 s ARG 127 Ca -0.10 -0.66 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1uu4 s ARG 127 Cb -0.01 -0.76 -0.04 0.00 -1.56 0.00 0.00 34.95 32.58 1uu4 s ARG 127 CO 0.05 -1.14 0.01 0.71 -0.81 0.00 0.00 175.30 174.12 1uu4 s TYR 128 N 1.71 3.07 -0.01 5.12 2.02 -0.17 -4.67 117.35 124.42 1uu4 s TYR 128 Ca 0.14 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1uu4 s TYR 128 Cb -0.16 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1uu4 s TYR 128 CO -0.13 0.47 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 1uu4 n GLY 129 N 1.10 0.46 1.64 0.71 0.00 -0.78 -2.79 105.19 105.54 1uu4 n GLY 129 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1uu4 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uu4 n GLY 130 N -2.96 0.54 3.77 -0.02 0.00 -1.26 -4.78 105.19 100.47 1uu4 n GLY 130 Ca -0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1uu4 n GLY 130 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uu4 s ILE 131 N -2.00 3.28 0.16 -0.61 -4.36 -1.24 -5.07 121.20 111.36 1uu4 s ILE 131 Ca 0.00 0.42 0.10 0.00 -0.26 0.00 0.00 60.65 60.91 1uu4 s ILE 131 Cb 0.00 -2.94 -0.04 0.00 1.25 0.00 0.00 42.46 40.72 1uu4 s ILE 131 CO 0.00 -0.55 -0.23 -0.31 0.24 0.00 0.00 174.94 174.09 1uu4 s TYR 132 N -2.94 2.14 0.96 1.37 2.02 -1.26 -4.94 117.35 114.71 1uu4 s TYR 132 Ca 0.61 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.76 1uu4 s TYR 132 Cb -0.17 -1.11 0.19 0.00 -0.40 0.00 0.00 41.96 40.48 1uu4 s TYR 132 CO 0.56 0.38 1.29 -1.25 -1.57 0.00 0.00 175.55 174.96 1uu4 s PRO 133 N -2.40 0.68 0.29 -1.71 0.04 -1.26 -5.01 135.00 125.63 1uu4 s PRO 133 Ca 0.16 -0.31 -0.30 0.00 0.04 0.00 0.00 61.00 60.58 1uu4 s PRO 133 Cb -0.08 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.49 1uu4 s PRO 133 CO 0.07 -2.40 1.55 -0.89 0.04 0.00 0.00 177.00 175.37 1uu4 n ILE 134 N -3.78 1.07 -1.90 0.56 2.08 -1.26 -4.83 119.36 111.30 1uu4 n ILE 134 Ca 0.14 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1uu4 n ILE 134 Cb 0.60 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 1uu4 n ILE 134 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uu4 n GLY 135 N 2.07 0.32 3.14 7.39 0.00 -1.26 -4.18 105.19 112.66 1uu4 n GLY 135 Ca 0.09 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1uu4 n GLY 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uu4 s THR 136 N 0.00 0.58 0.28 2.61 -4.23 -0.52 -4.91 115.64 109.45 1uu4 s THR 136 Ca 0.00 -1.76 -0.30 0.00 -1.18 0.00 0.00 61.69 58.45 1uu4 s THR 136 Cb 0.00 -1.46 -0.11 0.00 1.34 0.00 0.00 72.50 72.27 1uu4 s THR 136 CO 0.00 -0.81 1.58 0.12 -0.54 0.00 0.00 174.62 174.97 1uu4 s PHE 137 N -3.28 2.79 -0.10 3.99 5.36 -1.26 -1.34 117.98 124.13 1uu4 s PHE 137 Ca 0.07 0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 56.71 1uu4 s PHE 137 Cb 0.03 -4.04 -0.04 0.00 -0.34 0.00 0.00 43.02 38.63 1uu4 s PHE 137 CO -0.05 -3.51 -0.25 1.58 -1.46 0.00 0.00 175.22 171.54 1uu4 n HIS 138 N 2.28 0.00 -3.62 10.12 -0.00 0.10 -4.88 115.22 119.23 1uu4 n HIS 138 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.80 1uu4 n HIS 138 Cb 0.38 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.99 29.99 1uu4 n HIS 138 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1uu4 s SER 139 N -5.97 -0.09 0.22 0.26 1.04 -1.18 -5.03 113.70 102.96 1uu4 s SER 139 Ca -0.21 -0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.05 1uu4 s SER 139 Cb 0.03 0.18 -0.06 0.00 0.10 0.00 0.00 66.02 66.27 1uu4 s SER 139 CO 0.30 -0.33 0.49 -1.10 0.98 0.00 0.00 173.24 173.58 1uu4 s GLN 140 N -2.49 3.67 -0.11 4.02 -0.21 -1.26 -0.68 119.66 122.60 1uu4 s GLN 140 Ca 0.13 0.02 -0.11 0.00 0.02 0.00 0.00 55.36 55.42 1uu4 s GLN 140 Cb 0.03 -2.72 0.03 0.00 1.00 0.00 0.00 33.01 31.34 1uu4 s GLN 140 CO -0.04 0.33 0.30 0.54 -2.12 0.00 0.00 175.29 174.31 1uu4 s VAL 141 N -1.86 0.00 -0.42 1.09 0.11 -0.50 -4.94 120.40 113.89 1uu4 s VAL 141 Ca 0.44 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 59.30 1uu4 s VAL 141 Cb -0.11 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 1uu4 s VAL 141 CO 0.26 -0.02 0.32 0.20 -3.33 0.00 0.00 175.10 172.53 1uu4 s ASN 142 N 0.06 6.12 -0.02 3.54 0.01 -1.26 -0.67 114.94 122.73 1uu4 s ASN 142 Ca -0.01 -0.90 -0.10 0.00 -0.71 0.00 0.00 52.86 51.14 1uu4 s ASN 142 Cb -0.02 -2.17 0.01 0.00 0.41 0.00 0.00 41.25 39.48 1uu4 s ASN 142 CO 0.01 -0.48 0.21 -0.76 -1.51 0.00 0.00 177.10 174.57 1uu4 s LEU 143 N 1.73 1.26 -1.74 0.60 1.43 -0.73 -4.94 118.68 116.29 1uu4 s LEU 143 Ca 0.06 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1uu4 s LEU 143 Cb -0.19 0.89 0.00 0.00 0.03 0.00 0.00 46.19 46.92 1uu4 s LEU 143 CO 0.10 -0.35 0.11 0.00 0.23 0.00 0.00 176.35 176.44 1uu4 n ALA 144 N 1.61 -0.69 -1.00 4.21 0.00 -1.26 -1.47 120.51 121.91 1uu4 n ALA 144 Ca -0.21 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1uu4 n ALA 144 Cb 0.56 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1uu4 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uu4 n GLY 145 N -1.11 0.48 3.27 0.00 0.00 -1.26 -4.99 105.19 101.58 1uu4 n GLY 145 Ca -0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1uu4 n GLY 145 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uu4 s ARG 146 N -0.21 1.20 -0.15 1.61 0.52 -0.54 -5.14 118.95 116.24 1uu4 s ARG 146 Ca 0.00 -1.60 -0.07 0.00 -0.52 0.00 0.00 55.73 53.53 1uu4 s ARG 146 Cb 0.00 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 1uu4 s ARG 146 CO 0.00 -0.17 0.12 0.99 0.02 0.00 0.00 175.30 176.26 1uu4 s THR 147 N -3.66 5.30 0.04 0.02 2.01 -1.26 -1.77 115.64 116.32 1uu4 s THR 147 Ca 0.28 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.50 1uu4 s THR 147 Cb 0.06 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1uu4 s THR 147 CO 0.07 0.55 -0.25 0.26 -0.69 0.00 0.00 174.62 174.56 1uu4 s TRP 148 N -0.49 2.15 -0.36 4.92 0.52 0.16 -4.39 118.94 121.46 1uu4 s TRP 148 Ca 0.12 -0.40 -0.22 0.00 0.02 0.00 0.00 56.10 55.61 1uu4 s TRP 148 Cb -0.12 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.92 1uu4 s TRP 148 CO 0.02 0.11 0.73 -0.51 0.02 0.00 0.00 176.95 177.32 1uu4 s ASP 149 N -1.18 6.51 -0.13 2.95 1.01 -0.08 -1.41 116.67 124.35 1uu4 s ASP 149 Ca 0.10 0.30 -0.22 0.00 0.71 0.00 0.00 52.55 53.44 1uu4 s ASP 149 Cb -0.10 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1uu4 s ASP 149 CO 0.02 -0.68 0.65 -0.22 0.21 0.00 0.00 175.17 175.15 1uu4 s LEU 150 N 2.95 4.24 0.02 1.23 2.96 0.14 -0.74 118.68 129.49 1uu4 s LEU 150 Ca 0.29 1.01 0.05 0.00 -0.22 0.00 0.00 54.13 55.26 1uu4 s LEU 150 Cb -0.14 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 1uu4 s LEU 150 CO 0.16 -0.17 -0.10 0.26 -1.32 0.00 0.00 176.35 175.17 1uu4 s TRP 151 N 1.26 2.78 0.03 5.38 0.52 0.17 0.01 118.94 129.09 1uu4 s TRP 151 Ca 0.33 -0.11 0.01 0.00 0.02 0.00 0.00 56.10 56.35 1uu4 s TRP 151 Cb -0.17 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.58 1uu4 s TRP 151 CO 0.14 0.34 -0.05 0.95 0.02 0.00 0.00 176.95 178.34 1uu4 s THR 152 N -0.98 0.34 0.00 2.01 -4.23 -0.45 -1.09 115.64 111.24 1uu4 s THR 152 Ca 0.17 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1uu4 s THR 152 Cb -0.11 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.30 1uu4 s THR 152 CO 0.07 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1uu4 n GLY 153 N 1.66 0.87 3.16 3.99 0.00 -0.89 -1.44 105.19 112.55 1uu4 n GLY 153 Ca -0.22 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1uu4 n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uu4 s TYR 154 N -2.04 1.63 -0.38 1.61 2.02 -1.26 -0.65 117.35 118.28 1uu4 s TYR 154 Ca 0.00 -0.35 -0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1uu4 s TYR 154 Cb 0.00 -1.06 0.10 0.00 -0.40 0.00 0.00 41.96 40.60 1uu4 s TYR 154 CO 0.00 -0.06 0.13 1.21 -1.57 0.00 0.00 175.55 175.26 1uu4 s ASN 155 N -0.30 5.05 1.75 2.29 3.04 -0.15 -4.82 114.94 121.80 1uu4 s ASN 155 Ca 0.04 -2.02 0.00 0.00 0.04 0.00 0.00 52.86 50.92 1uu4 s ASN 155 Cb -0.08 -1.75 0.00 0.00 -1.54 0.00 0.00 41.25 37.88 1uu4 s ASN 155 CO 0.00 -0.46 0.00 0.61 -3.04 0.00 0.00 177.10 174.21 1uu4 n GLY 156 N 4.47 2.81 0.52 1.21 0.00 -1.26 -1.97 105.19 110.97 1uu4 n GLY 156 Ca -0.01 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1uu4 n GLY 156 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uu4 n ASN 157 N 5.61 1.66 -4.70 1.61 6.94 -1.26 -4.90 115.26 120.22 1uu4 n ASN 157 Ca 0.00 -1.50 -0.41 0.00 -0.02 0.00 0.00 54.58 52.65 1uu4 n ASN 157 Cb 0.00 0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 1uu4 n ASN 157 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1uu4 s MET 158 N -2.07 4.39 -0.06 -3.83 1.75 -0.83 -4.96 119.30 113.69 1uu4 s MET 158 Ca 0.35 0.99 -0.25 0.00 -1.25 0.00 0.00 55.69 55.52 1uu4 s MET 158 Cb 0.21 -3.50 -0.03 0.00 2.84 0.00 0.00 34.83 34.34 1uu4 s MET 158 CO 0.36 -0.11 0.78 0.50 -0.65 0.00 0.00 175.02 175.90 1uu4 s ARG 159 N 1.36 4.45 -0.16 4.11 6.06 -0.78 -0.98 118.95 133.02 1uu4 s ARG 159 Ca 0.39 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.65 1uu4 s ARG 159 Cb -0.18 -3.47 0.00 0.00 0.06 0.00 0.00 34.95 31.37 1uu4 s ARG 159 CO 0.17 -0.01 -0.16 0.08 -2.50 0.00 0.00 175.30 172.88 1uu4 s VAL 160 N 1.02 2.59 -0.28 7.11 1.01 0.17 -0.95 120.40 131.07 1uu4 s VAL 160 Ca 0.41 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1uu4 s VAL 160 Cb -0.18 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1uu4 s VAL 160 CO 0.20 0.51 0.04 -0.31 0.00 0.00 0.00 175.10 175.55 1uu4 s TYR 161 N 0.93 3.13 -0.18 5.22 2.02 0.02 -2.09 117.35 126.40 1uu4 s TYR 161 Ca -0.03 -1.13 -0.01 0.00 -0.37 0.00 0.00 57.07 55.54 1uu4 s TYR 161 Cb -0.15 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.21 1uu4 s TYR 161 CO -0.02 -0.61 -0.14 -1.12 -1.57 0.00 0.00 175.55 172.08 1uu4 s SER 162 N 1.45 3.62 -0.30 2.29 0.01 -0.25 -0.60 113.70 119.92 1uu4 s SER 162 Ca 0.02 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.64 1uu4 s SER 162 Cb -0.17 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1uu4 s SER 162 CO 0.01 0.02 0.23 -0.36 0.41 0.00 0.00 173.24 173.55 1uu4 s PHE 163 N 1.19 3.22 0.10 2.43 0.40 -0.13 -0.66 117.98 124.54 1uu4 s PHE 163 Ca 0.02 0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1uu4 s PHE 163 Cb -0.14 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 1uu4 s PHE 163 CO -0.06 -0.23 -0.13 -0.51 0.70 0.00 0.00 175.22 174.98 1uu4 s LEU 164 N 1.79 2.91 0.05 -0.37 1.02 0.09 -0.86 118.68 123.31 1uu4 s LEU 164 Ca 0.08 -0.44 -0.31 0.00 0.02 0.00 0.00 54.13 53.48 1uu4 s LEU 164 Cb -0.16 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1uu4 s LEU 164 CO 0.11 0.18 1.21 -2.84 0.02 0.00 0.00 176.35 175.03 1uu4 s PRO 165 N -2.13 4.42 0.51 1.29 0.02 -1.26 -0.90 135.00 136.95 1uu4 s PRO 165 Ca 0.20 1.77 0.15 0.00 0.02 0.00 0.00 61.00 63.14 1uu4 s PRO 165 Cb -0.11 -3.37 1.22 0.00 0.02 0.00 0.00 34.50 32.26 1uu4 s PRO 165 CO 0.12 -0.29 2.13 -1.35 -0.33 0.00 0.00 177.00 177.29 1uu4 h PRO 166 N 6.89 0.07 -2.58 5.54 0.11 -1.94 -3.44 132.00 136.65 1uu4 h PRO 166 Ca -0.41 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.60 1uu4 h PRO 166 Cb 1.21 -0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1uu4 h PRO 166 CO 0.82 0.05 -0.08 -1.54 -0.21 0.00 0.00 178.00 177.03 1uu4 s SER 167 N -6.99 -0.41 0.54 -2.05 1.04 -1.26 -5.09 113.70 99.48 1uu4 s SER 167 Ca -0.05 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1uu4 s SER 167 Cb 0.17 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1uu4 s SER 167 CO 0.68 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1uu4 n GLY 168 N 1.35 -0.61 3.61 7.32 0.00 -1.26 -4.94 105.19 110.67 1uu4 n GLY 168 Ca -0.20 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 1uu4 n GLY 168 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1uu4 s ASP 169 N -4.00 3.42 -0.39 1.61 1.47 -1.26 -4.63 116.67 112.88 1uu4 s ASP 169 Ca 0.00 -1.56 0.01 0.00 1.18 0.00 0.00 52.55 52.18 1uu4 s ASP 169 Cb 0.00 0.24 0.13 0.00 -0.34 0.00 0.00 42.92 42.95 1uu4 s ASP 169 CO 0.00 -0.76 0.20 -0.63 0.68 0.00 0.00 175.17 174.67 1uu4 s ILE 170 N -3.01 0.99 -0.85 2.11 1.01 0.45 -4.98 121.20 116.92 1uu4 s ILE 170 Ca 0.21 -2.12 0.26 0.00 0.00 0.00 0.00 60.65 59.00 1uu4 s ILE 170 Cb 0.05 -1.71 0.14 0.00 0.01 0.00 0.00 42.46 40.94 1uu4 s ILE 170 CO 0.11 -0.88 1.60 0.54 0.00 0.00 0.00 174.94 176.31 1uu4 n ARG 171 N 3.92 0.13 -3.76 2.79 1.74 -1.26 -4.59 116.66 115.62 1uu4 n ARG 171 Ca 0.07 0.06 -0.24 0.00 -0.77 0.00 0.00 57.85 56.98 1uu4 n ARG 171 Cb 0.36 -1.61 -0.17 0.00 -1.02 0.00 0.00 32.46 30.02 1uu4 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uu4 s ASP 172 N -3.62 1.86 -0.04 0.55 1.01 -1.26 -0.96 116.67 114.22 1uu4 s ASP 172 Ca 0.10 -0.24 -0.04 0.00 0.71 0.00 0.00 52.55 53.09 1uu4 s ASP 172 Cb 0.16 -0.47 0.01 0.00 1.01 0.00 0.00 42.92 43.63 1uu4 s ASP 172 CO 0.64 -0.22 0.11 0.12 0.21 0.00 0.00 175.17 176.03 1uu4 s PHE 173 N 1.95 -0.10 0.01 4.23 5.36 -0.35 -5.02 117.98 124.06 1uu4 s PHE 173 Ca 0.04 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1uu4 s PHE 173 Cb -0.13 0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.57 1uu4 s PHE 173 CO -0.06 -0.08 -0.03 -1.12 -1.46 0.00 0.00 175.22 172.47 1uu4 s SER 174 N -0.08 0.31 0.27 6.13 0.01 -1.26 -0.77 113.70 118.31 1uu4 s SER 174 Ca -0.01 -0.21 -0.20 0.00 1.31 0.00 0.00 55.95 56.83 1uu4 s SER 174 Cb -0.02 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.28 1uu4 s SER 174 CO 0.00 -0.08 0.84 0.00 0.41 0.00 0.00 173.24 174.41 1uu4 s ASP 176 N -3.05 4.82 0.54 0.00 -1.08 -1.26 -1.43 116.67 115.22 1uu4 s ASP 176 Ca 0.14 -1.25 0.28 0.00 -0.52 0.00 0.00 52.55 51.20 1uu4 s ASP 176 Cb -0.04 -1.70 1.52 0.00 -1.46 0.00 0.00 42.92 41.24 1uu4 s ASP 176 CO 0.07 -0.25 2.10 0.40 0.52 0.00 0.00 175.17 178.02 1uu4 h ILE 177 N 6.47 0.54 -0.01 4.11 2.04 -1.46 -0.81 117.51 128.39 1uu4 h ILE 177 Ca -0.22 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1uu4 h ILE 177 Cb 1.06 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1uu4 h ILE 177 CO 0.53 0.09 0.01 0.11 0.00 0.00 0.00 178.15 178.89 1uu4 h LYS 178 N 0.00 0.00 -0.70 2.37 1.79 -1.90 -0.90 116.57 117.23 1uu4 h LYS 178 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1uu4 h LYS 178 Cb 0.28 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1uu4 h LYS 178 CO 0.01 0.00 0.45 -0.44 -1.08 0.00 0.00 179.45 178.39 1uu4 h ASP 179 N 0.00 0.81 -0.11 0.86 3.32 -1.51 0.12 116.42 119.92 1uu4 h ASP 179 Ca 0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1uu4 h ASP 179 Cb 0.02 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1uu4 h ASP 179 CO -0.00 0.60 -0.27 -0.26 -1.72 0.00 0.00 179.24 177.60 1uu4 h PHE 180 N 0.95 0.47 -0.81 4.55 -1.00 -1.31 -2.10 116.94 117.69 1uu4 h PHE 180 Ca 0.25 -0.18 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 1uu4 h PHE 180 Cb -0.08 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.35 1uu4 h PHE 180 CO 0.00 0.88 0.50 0.74 -1.61 0.00 0.00 178.31 178.83 1uu4 h PHE 181 N -0.07 1.05 -0.74 -0.55 0.04 -1.21 -1.85 116.94 113.60 1uu4 h PHE 181 Ca -0.00 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1uu4 h PHE 181 Cb 0.87 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1uu4 h PHE 181 CO 0.11 0.69 0.22 -0.91 -0.60 0.00 0.00 178.31 177.83 1uu4 h ASN 182 N 1.10 1.08 -0.60 2.17 2.35 -0.72 0.10 115.58 121.07 1uu4 h ASN 182 Ca 0.29 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1uu4 h ASN 182 Cb -0.07 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 1uu4 h ASN 182 CO -0.06 1.00 0.36 0.22 -1.65 0.00 0.00 177.43 177.31 1uu4 h TYR 183 N 1.10 0.79 -0.50 1.19 3.20 -1.10 -1.46 116.97 120.20 1uu4 h TYR 183 Ca 0.24 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.00 1uu4 h TYR 183 Cb 0.32 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1uu4 h TYR 183 CO 0.03 0.54 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.93 1uu4 h LEU 184 N 0.81 0.91 -0.63 2.82 3.38 -0.75 -1.29 115.31 120.56 1uu4 h LEU 184 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1uu4 h LEU 184 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1uu4 h LEU 184 CO -0.04 1.02 0.32 -0.08 0.09 0.00 0.00 178.44 179.76 1uu4 h GLU 185 N 0.83 0.90 0.16 1.13 4.81 -0.52 -0.46 114.58 121.43 1uu4 h GLU 185 Ca 0.14 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1uu4 h GLU 185 Cb 0.62 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1uu4 h GLU 185 CO 0.04 0.71 -0.08 0.00 -0.73 0.00 0.00 179.01 178.95 1uu4 h ARG 186 N 0.87 -0.21 0.00 1.92 3.08 -1.12 -3.28 114.38 115.63 1uu4 h ARG 186 Ca 0.22 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1uu4 h ARG 186 Cb 0.09 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1uu4 h ARG 186 CO -0.03 0.21 -0.86 0.09 -1.07 0.00 0.00 179.97 178.31 1uu4 n ASN 187 N -4.96 0.84 0.00 7.04 3.02 -0.50 -4.41 115.26 116.30 1uu4 n ASN 187 Ca -0.08 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 1uu4 n ASN 187 Cb 0.26 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.45 1uu4 n ASN 187 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1uu4 n HIS 188 N -1.43 0.00 -1.72 3.10 8.25 -0.22 -5.01 115.22 118.19 1uu4 n HIS 188 Ca 0.03 -0.17 -0.16 0.00 -0.26 0.00 0.00 57.72 57.16 1uu4 n HIS 188 Cb 0.28 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 1uu4 n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uu4 n GLY 189 N -0.17 1.04 3.68 -1.41 0.00 -1.04 -4.93 105.19 102.35 1uu4 n GLY 189 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1uu4 n GLY 189 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uu4 s TYR 190 N -2.66 1.79 -1.47 1.61 5.04 -0.97 -4.85 117.35 115.84 1uu4 s TYR 190 Ca 0.00 -0.19 -0.12 0.00 -2.44 0.00 0.00 57.07 54.32 1uu4 s TYR 190 Cb 0.00 -4.19 0.03 0.00 0.35 0.00 0.00 41.96 38.14 1uu4 s TYR 190 CO 0.00 -5.11 2.37 -0.35 -1.34 0.00 0.00 175.55 171.12 1uu4 n PRO 191 N 6.49 3.21 0.23 4.97 -0.04 -1.26 -4.39 135.00 144.21 1uu4 n PRO 191 Ca 0.19 -2.64 0.13 0.00 -0.04 0.00 0.00 63.50 61.13 1uu4 n PRO 191 Cb 0.40 -3.11 0.75 0.00 -0.04 0.00 0.00 33.50 31.49 1uu4 n PRO 191 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uu4 h ALA 192 N 5.68 1.91 0.00 0.55 0.00 -1.91 -1.74 119.26 123.74 1uu4 h ALA 192 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1uu4 h ALA 192 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uu4 h ALA 192 CO 1.82 -0.12 0.00 0.54 0.00 0.00 0.00 179.25 181.49 1uu4 n ARG 193 N -4.24 0.11 0.00 0.00 1.74 -1.26 -2.22 116.66 110.80 1uu4 n ARG 193 Ca -0.01 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1uu4 n ARG 193 Cb 0.18 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1uu4 n ARG 193 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1uu4 n GLU 194 N -1.88 0.55 -3.76 5.56 0.28 -0.69 -4.93 120.64 115.77 1uu4 n GLU 194 Ca 0.04 -0.82 -0.35 0.00 -0.16 0.00 0.00 57.16 55.87 1uu4 n GLU 194 Cb 0.28 -0.94 -0.08 0.00 1.43 0.00 0.00 31.44 32.13 1uu4 n GLU 194 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1uu4 s GLN 195 N -0.36 4.17 -0.05 3.44 -1.52 -1.00 -4.19 119.66 120.15 1uu4 s GLN 195 Ca 0.00 -0.23 -0.06 0.00 -1.95 0.00 0.00 55.36 53.11 1uu4 s GLN 195 Cb 0.00 -3.40 -0.04 0.00 -0.22 0.00 0.00 33.01 29.35 1uu4 s GLN 195 CO 0.00 0.30 0.20 -0.80 -0.25 0.00 0.00 175.29 174.74 1uu4 s ASN 196 N 0.37 6.44 0.18 5.90 0.01 0.23 -0.84 114.94 127.22 1uu4 s ASN 196 Ca 0.08 0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 52.42 1uu4 s ASN 196 Cb -0.11 -2.07 -0.08 0.00 0.41 0.00 0.00 41.25 39.39 1uu4 s ASN 196 CO -0.02 0.33 1.32 -0.22 -1.51 0.00 0.00 177.10 177.00 1uu4 s LEU 197 N -1.44 4.41 -0.10 0.60 2.96 -0.50 -1.47 118.68 123.14 1uu4 s LEU 197 Ca 0.22 2.37 -0.06 0.00 -0.22 0.00 0.00 54.13 56.43 1uu4 s LEU 197 Cb -0.13 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1uu4 s LEU 197 CO 0.11 -0.55 -0.15 -0.38 -1.32 0.00 0.00 176.35 174.06 1uu4 n ILE 198 N 2.95 0.84 -4.16 6.68 2.08 -0.11 -4.60 119.36 123.05 1uu4 n ILE 198 Ca 0.07 -0.05 -0.10 0.00 0.56 0.00 0.00 62.75 63.23 1uu4 n ILE 198 Cb 0.43 -1.73 -0.10 0.00 -0.75 0.00 0.00 39.64 37.49 1uu4 n ILE 198 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1uu4 s VAL 199 N -2.26 0.52 -0.31 1.39 -7.23 -1.17 -4.90 120.40 106.45 1uu4 s VAL 199 Ca -0.16 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 1uu4 s VAL 199 Cb 0.05 -1.72 0.15 0.00 0.56 0.00 0.00 36.38 35.42 1uu4 s VAL 199 CO 0.21 -0.83 0.34 -0.47 -0.31 0.00 0.00 175.10 174.04 1uu4 s TYR 200 N -3.74 -0.55 0.06 2.82 5.04 -1.26 -2.93 117.35 116.79 1uu4 s TYR 200 Ca 0.13 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1uu4 s TYR 200 Cb 0.06 -0.38 -0.04 0.00 0.35 0.00 0.00 41.96 41.95 1uu4 s TYR 200 CO -0.05 -0.95 -0.04 -0.65 -1.34 0.00 0.00 175.55 172.52 1uu4 s GLN 201 N 2.20 0.61 0.04 4.97 -0.21 -0.53 -1.02 119.66 125.71 1uu4 s GLN 201 Ca 0.11 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.42 1uu4 s GLN 201 Cb -0.14 0.04 -0.02 0.00 1.00 0.00 0.00 33.01 33.89 1uu4 s GLN 201 CO -0.26 -0.06 -0.10 0.54 -2.12 0.00 0.00 175.29 173.29 1uu4 s VAL 202 N -3.18 0.73 0.00 1.09 0.11 -0.48 -0.92 120.40 117.76 1uu4 s VAL 202 Ca 0.03 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1uu4 s VAL 202 Cb 0.03 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1uu4 s VAL 202 CO -0.06 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 1uu4 n GLY 203 N 1.85 1.09 2.82 6.54 0.00 -0.55 -1.28 105.19 115.66 1uu4 n GLY 203 Ca -0.19 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 1uu4 n GLY 203 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1uu4 s THR 204 N -2.17 0.49 -0.18 2.61 -1.32 -1.05 -1.06 115.64 112.95 1uu4 s THR 204 Ca 0.00 0.01 -0.25 0.00 -1.21 0.00 0.00 61.69 60.25 1uu4 s THR 204 Cb 0.00 -0.60 -0.02 0.00 -1.51 0.00 0.00 72.50 70.38 1uu4 s THR 204 CO 0.00 0.26 0.80 -1.61 -2.21 0.00 0.00 174.62 171.86 1uu4 s GLU 205 N 1.67 4.27 -0.16 7.08 2.02 -1.17 -3.66 118.70 128.76 1uu4 s GLU 205 Ca 0.01 0.95 -0.01 0.00 0.02 0.00 0.00 54.97 55.94 1uu4 s GLU 205 Cb -0.13 -3.58 -0.01 0.00 0.10 0.00 0.00 34.13 30.51 1uu4 s GLU 205 CO -0.04 -0.33 -0.13 0.00 0.02 0.00 0.00 175.26 174.78 1uu4 n PHE 207 N 3.96 0.00 -3.74 0.00 3.01 -0.17 -0.77 117.46 119.76 1uu4 n PHE 207 Ca -0.19 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.18 1uu4 n PHE 207 Cb 0.52 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.76 1uu4 n PHE 207 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uu4 s THR 208 N -1.89 0.10 0.00 4.37 -4.23 -1.09 -4.58 115.64 108.32 1uu4 s THR 208 Ca -0.10 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1uu4 s THR 208 Cb 0.01 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1uu4 s THR 208 CO 0.14 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1uu4 n GLY 209 N -0.15 0.16 0.00 3.99 0.00 -0.23 -1.33 105.19 107.62 1uu4 n GLY 209 Ca -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.57 1uu4 n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uu4 n GLY 210 N 0.00 -3.79 3.72 -0.02 0.00 -1.26 -1.24 105.19 102.60 1uu4 n GLY 210 Ca 0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1uu4 n GLY 210 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uu4 n PRO 211 N -0.11 2.73 -4.20 1.61 -0.02 -1.26 -4.92 135.00 128.84 1uu4 n PRO 211 Ca 0.00 0.98 -0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1uu4 n PRO 211 Cb 0.00 -2.81 -0.11 0.00 -0.02 0.00 0.00 33.50 30.56 1uu4 n PRO 211 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uu4 s ALA 212 N 0.84 1.25 -0.05 3.55 0.00 -0.23 -4.97 121.76 122.15 1uu4 s ALA 212 Ca 0.72 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.50 1uu4 s ALA 212 Cb -0.51 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1uu4 s ALA 212 CO 0.37 0.06 0.02 0.50 0.00 0.00 0.00 175.76 176.71 1uu4 s ARG 213 N -2.50 0.25 -0.20 0.00 3.52 -1.26 -1.47 118.95 117.30 1uu4 s ARG 213 Ca 0.05 0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 55.72 1uu4 s ARG 213 Cb -0.05 -0.64 -0.05 0.00 -1.56 0.00 0.00 34.95 32.65 1uu4 s ARG 213 CO 0.02 -0.26 0.24 0.12 -0.81 0.00 0.00 175.30 174.61 1uu4 s PHE 214 N 1.74 3.40 -0.20 5.12 5.36 -0.23 -2.01 117.98 131.16 1uu4 s PHE 214 Ca 0.00 0.45 -0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1uu4 s PHE 214 Cb -0.13 -2.32 0.02 0.00 -0.34 0.00 0.00 43.02 40.25 1uu4 s PHE 214 CO -0.03 0.17 -0.15 0.99 -1.46 0.00 0.00 175.22 174.73 1uu4 s THR 215 N 0.73 2.43 -0.59 0.12 2.01 0.14 -1.01 115.64 119.47 1uu4 s THR 215 Ca 0.13 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 61.07 1uu4 s THR 215 Cb -0.13 -2.08 0.10 0.00 0.01 0.00 0.00 72.50 70.40 1uu4 s THR 215 CO 0.03 0.47 0.73 0.00 -0.69 0.00 0.00 174.62 175.16 1uu4 h ARG 217 N 9.22 0.34 -1.71 0.00 3.08 -0.87 -2.10 114.38 122.34 1uu4 h ARG 217 Ca -0.29 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 59.71 1uu4 h ARG 217 Cb 1.09 -0.04 -0.25 0.00 0.08 0.00 0.00 29.97 30.84 1uu4 h ARG 217 CO 1.10 0.46 0.36 0.34 -1.07 0.00 0.00 179.97 181.17 1uu4 s ASP 218 N -6.83 -0.54 -0.04 7.04 2.15 -1.08 -4.72 116.67 112.65 1uu4 s ASP 218 Ca -0.06 1.03 0.02 0.00 0.43 0.00 0.00 52.55 53.96 1uu4 s ASP 218 Cb 0.15 1.05 0.02 0.00 -0.30 0.00 0.00 42.92 43.84 1uu4 s ASP 218 CO 0.75 -0.18 -0.07 0.12 -0.17 0.00 0.00 175.17 175.63 1uu4 s PHE 219 N 0.34 0.88 0.02 -5.34 5.36 -0.07 -1.22 117.98 117.94 1uu4 s PHE 219 Ca 0.02 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 1uu4 s PHE 219 Cb -0.05 -0.71 -0.01 0.00 -0.34 0.00 0.00 43.02 41.91 1uu4 s PHE 219 CO -0.05 -0.18 -0.07 1.03 -1.46 0.00 0.00 175.22 174.49 1uu4 s ARG 220 N 0.69 0.50 -0.15 10.12 0.52 -0.67 -0.94 118.95 129.02 1uu4 s ARG 220 Ca -0.10 -0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 54.47 1uu4 s ARG 220 Cb -0.13 -0.39 0.04 0.00 0.52 0.00 0.00 34.95 34.99 1uu4 s ARG 220 CO 0.01 0.09 0.45 0.00 0.02 0.00 0.00 175.30 175.87 1uu4 s ALA 221 N -0.73 -1.12 0.14 2.13 0.00 -1.26 -1.60 121.76 119.33 1uu4 s ALA 221 Ca -0.03 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.11 1uu4 s ALA 221 Cb -0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1uu4 s ALA 221 CO 0.00 -0.22 0.08 -0.51 0.00 0.00 0.00 175.76 175.11 1uu4 s ASP 222 N 0.04 0.27 0.00 0.00 1.01 -0.17 -5.01 116.67 112.81 1uu4 s ASP 222 Ca -0.02 -1.22 -0.16 0.00 0.71 0.00 0.00 52.55 51.86 1uu4 s ASP 222 Cb -0.03 0.32 0.03 0.00 1.01 0.00 0.00 42.92 44.24 1uu4 s ASP 222 CO 0.01 -0.76 0.34 -1.48 0.21 0.00 0.00 175.17 173.50 1uu4 s LEU 223 N -3.06 0.71 0.00 1.23 2.34 -1.26 -2.51 118.68 116.13 1uu4 s LEU 223 Ca 0.26 0.05 0.00 0.00 0.06 0.00 0.00 54.13 54.51 1uu4 s LEU 223 Cb 0.07 1.42 0.00 0.00 -0.56 0.00 0.00 46.19 47.12 1uu4 s LEU 223 CO 0.03 -0.52 0.00 -2.67 -1.06 0.00 0.00 176.35 172.14