#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5u n LEU 3 N 0.00 0.50 0.00 0.99 -0.00 -1.26 -5.00 117.00 112.22 2k5u n LEU 3 Ca 0.00 -0.02 -0.21 0.00 -0.00 0.00 0.00 56.01 55.78 2k5u n LEU 3 Cb 0.00 0.23 0.17 0.00 -0.00 0.00 0.00 43.42 43.82 2k5u n LEU 3 CO 0.00 0.50 0.45 2.22 -0.00 0.00 0.00 177.39 180.56 2k5u n PHE 4 N -2.72 -3.67 -2.34 1.47 1.16 -1.26 -4.22 117.46 105.88 2k5u n PHE 4 Ca -0.30 -0.70 -0.18 0.00 -1.87 0.00 0.00 57.45 54.40 2k5u n PHE 4 Cb 1.04 -0.78 -0.01 0.00 -1.61 0.00 0.00 39.48 38.12 2k5u n PHE 4 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k5u n ALA 5 N -4.20 -0.53 -1.29 1.98 0.00 -1.26 -4.74 120.51 110.47 2k5u n ALA 5 Ca -0.14 0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2k5u n ALA 5 Cb 0.41 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 2k5u n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k5u n SER 6 N -1.39 -7.68 -2.10 0.00 2.88 -1.26 -4.80 113.62 99.26 2k5u n SER 6 Ca -0.21 1.18 -0.01 0.00 -1.33 0.00 0.00 58.87 58.50 2k5u n SER 6 Cb 0.66 -3.35 0.04 0.00 -0.75 0.00 0.00 64.21 60.81 2k5u n SER 6 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2k5u n LYS 7 N -3.63 0.88 -0.93 -1.46 0.00 -1.26 -4.94 118.16 106.82 2k5u n LYS 7 Ca 0.01 -1.98 -0.32 0.00 -0.00 0.00 0.00 58.31 56.02 2k5u n LYS 7 Cb 0.50 -0.22 0.15 0.00 -0.00 0.00 0.00 35.03 35.46 2k5u n LYS 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2k5u s LEU 8 N -2.24 3.01 -0.60 -5.58 1.43 -1.26 -4.92 118.68 108.52 2k5u s LEU 8 Ca 0.17 2.30 -0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2k5u s LEU 8 Cb 0.30 -4.58 0.51 0.00 0.03 0.00 0.00 46.19 42.45 2k5u s LEU 8 CO -0.08 -2.88 2.00 2.22 0.23 0.00 0.00 176.35 177.84 2k5u n PHE 9 N -3.71 3.14 -3.83 0.29 1.16 -1.26 -4.80 117.46 108.46 2k5u n PHE 9 Ca 0.13 -2.66 -0.30 0.00 -1.87 0.00 0.00 57.45 52.75 2k5u n PHE 9 Cb 0.51 -1.29 -0.14 0.00 -1.61 0.00 0.00 39.48 36.95 2k5u n PHE 9 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2k5u s SER 10 N -1.62 4.08 0.27 5.98 0.01 -1.26 -5.08 113.70 116.08 2k5u s SER 10 Ca 0.62 -2.45 -0.17 0.00 1.31 0.00 0.00 55.95 55.25 2k5u s SER 10 Cb 0.49 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 65.48 2k5u s SER 10 CO 0.03 -0.31 0.62 0.54 0.41 0.00 0.00 173.24 174.53 2k5u s ASN 11 N 0.53 -0.17 -0.50 2.44 4.22 -1.26 -4.92 114.94 115.27 2k5u s ASN 11 Ca 0.15 -0.76 0.00 0.00 -2.14 0.00 0.00 52.86 50.11 2k5u s ASN 11 Cb -0.23 0.67 0.00 0.00 1.28 0.00 0.00 41.25 42.98 2k5u s ASN 11 CO -0.06 -1.27 0.00 0.18 -2.04 0.00 0.00 177.10 173.91 2k5u n LEU 12 N -0.43 -0.35 -3.23 3.54 4.32 -1.26 -2.74 117.00 116.84 2k5u n LEU 12 Ca -0.03 0.12 -0.24 0.00 -0.02 0.00 0.00 56.01 55.84 2k5u n LEU 12 Cb 0.60 -1.05 -0.05 0.00 -1.62 0.00 0.00 43.42 41.31 2k5u n LEU 12 CO 0.18 -0.25 -0.09 0.33 -1.22 0.00 0.00 177.39 176.35 2k5u n PHE 13 N -1.35 -0.67 0.00 -1.77 -0.00 -1.26 -4.46 117.46 107.95 2k5u n PHE 13 Ca -0.05 0.39 0.00 0.00 -0.00 0.00 0.00 57.45 57.79 2k5u n PHE 13 Cb 0.16 -1.06 0.00 0.00 -0.00 0.00 0.00 39.48 38.58 2k5u n PHE 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2k5u n GLY 14 N -0.82 3.14 2.76 7.13 0.00 -1.11 -5.08 105.19 111.22 2k5u n GLY 14 Ca 0.07 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 2k5u n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k5u s ASN 15 N 0.00 2.29 -0.89 1.61 2.47 -1.26 -5.01 114.94 114.15 2k5u s ASN 15 Ca 0.00 -0.47 -0.07 0.00 0.42 0.00 0.00 52.86 52.74 2k5u s ASN 15 Cb 0.00 -0.55 -0.10 0.00 -1.45 0.00 0.00 41.25 39.16 2k5u s ASN 15 CO 0.00 -0.24 3.07 1.17 -3.72 0.00 0.00 177.10 177.38 2k5u n LYS 16 N 5.08 3.11 -2.32 0.43 4.81 -1.26 -4.82 118.16 123.20 2k5u n LYS 16 Ca -0.08 -2.02 0.00 0.00 -0.87 0.00 0.00 58.31 55.33 2k5u n LYS 16 Cb 0.49 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.11 2k5u n LYS 16 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k5u n GLU 17 N 2.57 -4.67 -3.72 1.64 4.71 -1.26 -5.05 120.64 114.86 2k5u n GLU 17 Ca 0.61 3.38 -0.15 0.00 -0.01 0.00 0.00 57.16 60.99 2k5u n GLU 17 Cb 0.50 -4.29 -0.15 0.00 -1.01 0.00 0.00 31.44 26.50 2k5u n GLU 17 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2k5u s MET 18 N -0.54 0.08 -0.30 3.49 -1.94 -1.26 -4.82 119.30 114.01 2k5u s MET 18 Ca 0.00 0.45 -0.03 0.00 -1.71 0.00 0.00 55.69 54.39 2k5u s MET 18 Cb 0.00 -0.21 0.11 0.00 2.01 0.00 0.00 34.83 36.74 2k5u s MET 18 CO 0.00 -0.21 0.16 1.03 -0.01 0.00 0.00 175.02 175.98 2k5u s ARG 19 N 1.56 0.24 -0.06 2.03 3.00 -1.26 -2.38 118.95 122.08 2k5u s ARG 19 Ca -0.05 -0.55 -0.27 0.00 0.00 0.00 0.00 55.73 54.86 2k5u s ARG 19 Cb -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 34.95 33.70 2k5u s ARG 19 CO -0.06 -1.04 0.88 0.42 0.00 0.00 0.00 175.30 175.50 2k5u s ILE 20 N 2.05 4.91 0.02 1.52 -1.09 -0.21 0.21 121.20 128.60 2k5u s ILE 20 Ca 0.10 1.81 0.06 0.00 -2.23 0.00 0.00 60.65 60.39 2k5u s ILE 20 Cb -0.16 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.48 2k5u s ILE 20 CO -0.33 0.15 -0.15 -1.48 -1.23 0.00 0.00 174.94 171.90 2k5u s LEU 21 N 1.24 2.76 -0.44 2.97 0.05 -1.02 -2.60 118.68 121.63 2k5u s LEU 21 Ca 0.45 -0.33 -0.17 0.00 0.05 0.00 0.00 54.13 54.13 2k5u s LEU 21 Cb -0.19 -1.60 0.03 0.00 -2.05 0.00 0.00 46.19 42.38 2k5u s LEU 21 CO 0.22 0.27 0.47 -0.04 -0.55 0.00 0.00 176.35 176.72 2k5u s MET 22 N -1.34 3.09 0.07 1.48 -1.94 0.25 -2.38 119.30 118.54 2k5u s MET 22 Ca 0.15 -0.85 0.08 0.00 -1.71 0.00 0.00 55.69 53.36 2k5u s MET 22 Cb -0.11 -4.01 -0.03 0.00 2.01 0.00 0.00 34.83 32.69 2k5u s MET 22 CO 0.05 -0.94 -0.22 0.54 -0.01 0.00 0.00 175.02 174.44 2k5u s VAL 23 N 2.17 1.82 -5.00 -6.03 0.11 -0.75 -1.93 120.40 110.80 2k5u s VAL 23 Ca 0.12 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 2k5u s VAL 23 Cb -0.18 -1.61 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 2k5u s VAL 23 CO 0.13 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2k5u n GLY 24 N 1.49 -1.08 3.77 6.54 0.00 -1.25 -1.13 105.19 113.52 2k5u n GLY 24 Ca -0.18 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 2k5u n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5u s LEU 25 N 0.00 4.17 0.56 0.99 2.01 -1.13 -1.08 118.68 124.21 2k5u s LEU 25 Ca 0.00 2.49 -0.20 0.00 0.01 0.00 0.00 54.13 56.43 2k5u s LEU 25 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 46.19 42.15 2k5u s LEU 25 CO 0.00 -0.81 1.26 -0.62 1.01 0.00 0.00 176.35 177.18 2k5u s ASP 26 N -0.98 5.31 0.00 2.29 -1.08 -1.26 -2.37 116.67 118.58 2k5u s ASP 26 Ca 0.58 2.52 0.00 0.00 -0.52 0.00 0.00 52.55 55.13 2k5u s ASP 26 Cb -0.34 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.51 2k5u s ASP 26 CO 0.43 -1.52 0.00 0.61 0.52 0.00 0.00 175.17 175.21 2k5u n GLY 27 N 0.61 0.61 0.29 2.66 0.00 -1.26 -4.86 105.19 103.24 2k5u n GLY 27 Ca 0.12 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.32 2k5u n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5u h ALA 28 N 0.00 1.01 0.00 4.61 0.00 -1.82 -3.45 119.26 119.61 2k5u h ALA 28 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5u h ALA 28 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k5u h ALA 28 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2k5u n GLY 29 N -0.31 1.30 0.20 0.00 0.00 -1.26 -4.75 105.19 100.37 2k5u n GLY 29 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2k5u n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5u h LYS 30 N 0.00 0.00 0.13 1.61 6.56 -1.92 0.12 116.57 123.07 2k5u h LYS 30 Ca 0.00 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.36 2k5u h LYS 30 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.68 2k5u h LYS 30 CO 0.00 0.35 -0.96 1.79 -2.06 0.00 0.00 179.45 178.56 2k5u h THR 31 N 0.00 1.41 -0.02 -0.16 1.35 -1.97 -2.24 112.91 111.28 2k5u h THR 31 Ca -0.00 -2.45 -0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2k5u h THR 31 Cb 0.67 2.95 -0.00 0.00 -1.73 0.00 0.00 68.15 70.03 2k5u h THR 31 CO 0.04 0.72 0.00 0.74 -0.25 0.00 0.00 175.52 176.77 2k5u h THR 32 N -0.10 1.24 -0.43 6.82 2.02 -1.93 -2.93 112.91 117.60 2k5u h THR 32 Ca -0.16 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 2k5u h THR 32 Cb 1.71 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.80 2k5u h THR 32 CO 0.18 0.19 0.05 0.58 0.37 0.00 0.00 175.52 176.90 2k5u h VAL 33 N -0.25 1.21 -0.25 3.16 2.07 -1.10 -2.84 116.25 118.24 2k5u h VAL 33 Ca 0.01 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2k5u h VAL 33 Cb 0.31 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2k5u h VAL 33 CO 0.00 0.29 -0.08 -0.07 0.02 0.00 0.00 177.57 177.73 2k5u h LEU 34 N 0.65 -0.30 -1.01 2.57 -0.00 -1.30 -1.21 115.31 114.71 2k5u h LEU 34 Ca 0.14 0.08 0.03 0.00 -0.00 0.00 0.00 57.88 58.13 2k5u h LEU 34 Cb 0.33 0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 41.11 2k5u h LEU 34 CO 0.01 -0.11 0.66 0.22 -0.00 0.00 0.00 178.44 179.22 2k5u h TYR 35 N -0.03 1.25 -0.79 1.13 3.20 -1.33 0.22 116.97 120.61 2k5u h TYR 35 Ca 0.13 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.10 2k5u h TYR 35 Cb 0.23 -0.42 -0.05 0.00 1.54 0.00 0.00 36.73 38.03 2k5u h TYR 35 CO -0.27 0.73 0.51 -0.22 -1.64 0.00 0.00 178.16 177.28 2k5u h LYS 36 N 1.30 0.80 0.00 1.82 1.63 -1.03 -1.19 116.57 119.90 2k5u h LYS 36 Ca 0.39 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.96 2k5u h LYS 36 Cb -0.04 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.38 2k5u h LYS 36 CO -0.11 0.53 -1.08 -0.07 -3.45 0.00 0.00 179.45 175.26 2k5u h LEU 37 N 0.83 0.00 0.00 5.20 4.07 -0.55 -3.36 115.31 121.49 2k5u h LEU 37 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 2k5u h LEU 37 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2k5u h LEU 37 CO -0.12 0.78 0.00 0.29 -1.08 0.00 0.00 178.44 178.30 2k5u n LYS 38 N -3.16 0.00 0.00 1.13 5.02 0.67 -4.70 118.16 117.11 2k5u n LYS 38 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2k5u n LYS 38 Cb 0.88 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.89 2k5u n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k5u n LEU 39 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.30 117.00 115.86 2k5u n LEU 39 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k5u n LEU 39 Cb 0.00 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2k5u n LEU 39 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2k5u n GLY 40 N -1.94 2.19 3.01 -0.72 0.00 -1.26 -4.94 105.19 101.53 2k5u n GLY 40 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 2k5u n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5u s GLU 41 N 0.00 0.16 0.02 1.61 2.12 -1.26 -5.15 118.70 116.21 2k5u s GLU 41 Ca 0.00 0.50 -0.16 0.00 0.36 0.00 0.00 54.97 55.67 2k5u s GLU 41 Cb 0.00 -0.14 -0.06 0.00 0.26 0.00 0.00 34.13 34.19 2k5u s GLU 41 CO 0.00 -0.18 0.46 0.54 -0.54 0.00 0.00 175.26 175.54 2k5u s VAL 42 N 1.35 4.94 -0.14 3.70 0.11 -1.26 -4.77 120.40 124.33 2k5u s VAL 42 Ca -0.08 0.95 -0.15 0.00 -2.93 0.00 0.00 61.98 59.76 2k5u s VAL 42 Cb -0.11 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 2k5u s VAL 42 CO -0.08 0.57 0.37 -0.63 -3.33 0.00 0.00 175.10 171.99 2k5u s ILE 43 N -1.10 5.25 -0.25 7.04 -1.09 -0.28 -4.99 121.20 125.78 2k5u s ILE 43 Ca 0.26 0.71 -0.18 0.00 -2.23 0.00 0.00 60.65 59.20 2k5u s ILE 43 Cb -0.17 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 2k5u s ILE 43 CO 0.15 0.37 0.52 0.28 -1.23 0.00 0.00 174.94 175.04 2k5u s THR 44 N 0.46 5.07 -0.39 2.92 -1.32 -1.26 -1.02 115.64 120.09 2k5u s THR 44 Ca 0.20 0.90 -0.14 0.00 -1.21 0.00 0.00 61.69 61.44 2k5u s THR 44 Cb -0.14 -3.83 0.01 0.00 -1.51 0.00 0.00 72.50 67.03 2k5u s THR 44 CO 0.07 0.09 0.29 0.42 -2.21 0.00 0.00 174.62 173.28 2k5u s THR 45 N 2.24 5.27 -0.99 5.08 -4.23 0.35 -4.96 115.64 118.40 2k5u s THR 45 Ca 0.22 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.15 2k5u s THR 45 Cb -0.16 -3.87 0.27 0.00 1.34 0.00 0.00 72.50 70.08 2k5u s THR 45 CO 0.09 -0.23 1.08 -0.38 -0.54 0.00 0.00 174.62 174.64 2k5u n ILE 46 N 5.15 4.06 -0.11 2.99 2.08 -1.26 -0.55 119.36 131.72 2k5u n ILE 46 Ca -0.11 -5.44 0.20 0.00 0.56 0.00 0.00 62.75 57.96 2k5u n ILE 46 Cb 0.48 -2.33 0.62 0.00 -0.75 0.00 0.00 39.64 37.66 2k5u n ILE 46 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 2k5u h PRO 47 N 5.83 0.17 -1.82 0.38 0.13 -1.91 -3.45 132.00 131.34 2k5u h PRO 47 Ca 0.18 -0.01 0.24 0.00 -0.87 0.00 0.00 66.00 65.54 2k5u h PRO 47 Cb 0.76 -0.04 -0.13 0.00 0.13 0.00 0.00 31.00 31.72 2k5u h PRO 47 CO 1.04 0.11 0.68 0.99 -0.23 0.00 0.00 178.00 180.59 2k5u s THR 48 N -5.18 0.00 0.06 1.56 2.01 -1.26 -5.06 115.64 107.77 2k5u s THR 48 Ca -0.06 -0.27 -0.37 0.00 0.31 0.00 0.00 61.69 61.29 2k5u s THR 48 Cb 0.21 -1.66 -0.21 0.00 0.01 0.00 0.00 72.50 70.85 2k5u s THR 48 CO 0.76 0.00 1.55 0.40 -0.69 0.00 0.00 174.62 176.63 2k5u h ILE 49 N 2.00 0.01 -1.17 1.82 1.08 -2.02 -2.83 117.51 116.40 2k5u h ILE 49 Ca -0.23 -0.02 0.34 0.00 -0.39 0.00 0.00 64.86 64.56 2k5u h ILE 49 Cb 1.21 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 2k5u h ILE 49 CO 0.27 0.00 1.19 0.61 -0.69 0.00 0.00 178.15 179.53 2k5u n GLY 50 N -1.61 -0.76 3.15 5.37 0.00 -1.26 -4.52 105.19 105.56 2k5u n GLY 50 Ca -0.17 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 2k5u n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k5u s PHE 51 N -4.38 0.59 -0.02 1.61 5.36 -1.07 -5.17 117.98 114.91 2k5u s PHE 51 Ca -0.03 -1.03 0.02 0.00 -0.96 0.00 0.00 56.93 54.93 2k5u s PHE 51 Cb 0.16 -0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.49 2k5u s PHE 51 CO 0.53 -0.49 -0.07 1.21 -1.46 0.00 0.00 175.22 174.93 2k5u s ASN 52 N -2.97 0.98 0.01 6.13 2.47 -1.26 -4.06 114.94 116.25 2k5u s ASN 52 Ca 0.14 -0.15 0.02 0.00 0.42 0.00 0.00 52.86 53.29 2k5u s ASN 52 Cb 0.07 -0.21 -0.01 0.00 -1.45 0.00 0.00 41.25 39.65 2k5u s ASN 52 CO -0.05 0.06 -0.05 -0.69 -3.72 0.00 0.00 177.10 172.65 2k5u s VAL 53 N 0.09 0.40 0.25 -5.21 1.01 0.29 -4.90 120.40 112.33 2k5u s VAL 53 Ca -0.01 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2k5u s VAL 53 Cb -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2k5u s VAL 53 CO -0.00 -0.10 0.07 -1.61 0.00 0.00 0.00 175.10 173.46 2k5u s GLU 54 N -0.69 2.53 -0.28 2.72 2.02 -1.09 0.13 118.70 124.05 2k5u s GLU 54 Ca -0.03 -1.26 -0.21 0.00 0.02 0.00 0.00 54.97 53.48 2k5u s GLU 54 Cb -0.05 -2.32 0.10 0.00 0.10 0.00 0.00 34.13 31.96 2k5u s GLU 54 CO -0.00 0.38 0.83 -0.08 0.02 0.00 0.00 175.26 176.41 2k5u s THR 55 N -2.22 0.00 0.00 3.63 -1.32 -0.19 0.18 115.64 115.73 2k5u s THR 55 Ca 0.32 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.87 2k5u s THR 55 Cb -0.07 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 2k5u s THR 55 CO 0.22 0.00 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.70 2k5u s VAL 56 N 0.85 1.90 -0.25 5.08 1.01 -0.44 -1.12 120.40 127.42 2k5u s VAL 56 Ca -0.03 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 2k5u s VAL 56 Cb -0.05 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2k5u s VAL 56 CO -0.09 0.45 -0.08 -1.10 0.00 0.00 0.00 175.10 174.29 2k5u s GLN 57 N -0.78 2.69 0.38 2.72 -1.52 -1.26 0.98 119.66 122.87 2k5u s GLN 57 Ca 0.09 -1.07 0.08 0.00 -1.95 0.00 0.00 55.36 52.52 2k5u s GLN 57 Cb -0.09 -2.95 -0.06 0.00 -0.22 0.00 0.00 33.01 29.69 2k5u s GLN 57 CO 0.00 -0.44 0.08 -0.47 -0.25 0.00 0.00 175.29 174.21 2k5u s TYR 58 N 1.27 2.57 0.17 0.91 5.04 -0.52 -5.00 117.35 121.79 2k5u s TYR 58 Ca -0.02 -0.53 -0.32 0.00 -2.44 0.00 0.00 57.07 53.76 2k5u s TYR 58 Cb -0.17 -1.72 -0.12 0.00 0.35 0.00 0.00 41.96 40.30 2k5u s TYR 58 CO -0.05 0.36 1.74 1.63 -1.34 0.00 0.00 175.55 177.89 2k5u n LYS 59 N -1.06 2.68 -4.07 4.97 4.76 -1.26 -2.44 118.16 121.73 2k5u n LYS 59 Ca -0.03 0.97 -0.34 0.00 -2.87 0.00 0.00 58.31 56.04 2k5u n LYS 59 Cb 0.64 -2.82 -0.04 0.00 -1.84 0.00 0.00 35.03 30.97 2k5u n LYS 59 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2k5u n ASN 60 N 4.37 -2.61 -3.19 4.39 5.03 -1.26 -4.87 115.26 117.12 2k5u n ASN 60 Ca 0.17 -0.88 0.04 0.00 0.87 0.00 0.00 54.58 54.78 2k5u n ASN 60 Cb 0.34 -2.19 -0.04 0.00 -1.02 0.00 0.00 39.78 36.87 2k5u n ASN 60 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2k5u s ILE 61 N -3.10 -0.11 0.33 2.41 -1.16 -1.02 -4.64 121.20 113.91 2k5u s ILE 61 Ca 0.67 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.82 2k5u s ILE 61 Cb -0.38 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.66 2k5u s ILE 61 CO 0.82 0.00 0.52 -0.55 -2.81 0.00 0.00 174.94 172.92 2k5u s SER 62 N 2.28 6.29 0.02 4.50 0.15 -1.00 -1.44 113.70 124.49 2k5u s SER 62 Ca -0.02 0.39 0.02 0.00 0.70 0.00 0.00 55.95 57.04 2k5u s SER 62 Cb -0.03 -1.99 -0.01 0.00 -1.71 0.00 0.00 66.02 62.28 2k5u s SER 62 CO -0.15 -0.27 -0.07 -0.36 1.20 0.00 0.00 173.24 173.59 2k5u s PHE 63 N -2.27 0.64 -0.02 3.44 0.40 0.27 -1.05 117.98 119.39 2k5u s PHE 63 Ca 0.39 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 56.42 2k5u s PHE 63 Cb -0.09 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.05 2k5u s PHE 63 CO 0.35 -0.03 0.06 0.95 0.70 0.00 0.00 175.22 177.24 2k5u s THR 64 N -0.71 -0.01 -0.17 0.64 -4.23 -1.07 -1.32 115.64 108.77 2k5u s THR 64 Ca -0.03 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2k5u s THR 64 Cb -0.06 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.69 2k5u s THR 64 CO 0.00 0.01 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.25 2k5u s VAL 65 N 0.15 2.59 -0.20 2.29 1.01 0.13 0.88 120.40 127.25 2k5u s VAL 65 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2k5u s VAL 65 Cb -0.02 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.36 2k5u s VAL 65 CO -0.00 0.51 0.29 0.86 0.00 0.00 0.00 175.10 176.76 2k5u s TRP 66 N 1.00 -0.50 0.81 5.22 -0.11 -0.81 -2.65 118.94 121.89 2k5u s TRP 66 Ca -0.02 0.66 -0.12 0.00 1.22 0.00 0.00 56.10 57.85 2k5u s TRP 66 Cb -0.15 -0.13 0.18 0.00 -1.50 0.00 0.00 33.47 31.87 2k5u s TRP 66 CO -0.03 -0.57 0.41 -0.40 -4.62 0.00 0.00 176.95 171.74 2k5u n ASP 67 N 5.34 -2.85 0.08 5.86 5.75 -1.26 -3.91 116.55 125.55 2k5u n ASP 67 Ca -0.05 -0.42 -0.13 0.00 -0.01 0.00 0.00 54.79 54.18 2k5u n ASP 67 Cb 0.50 -0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 39.92 2k5u n ASP 67 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2k5u h VAL 68 N -2.69 1.00 -5.55 2.12 -1.51 -1.46 -3.40 116.25 104.76 2k5u h VAL 68 Ca -0.19 -0.57 -0.08 0.00 -1.23 0.00 0.00 66.70 64.63 2k5u h VAL 68 Cb 0.63 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2k5u h VAL 68 CO 0.11 0.14 -0.45 0.61 -1.23 0.00 0.00 177.57 176.75 2k5u n GLY 69 N -0.42 -1.14 0.04 5.19 0.00 -1.26 -4.83 105.19 102.77 2k5u n GLY 69 Ca -0.09 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2k5u n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5u n GLY 70 N -0.86 -0.56 0.50 -0.02 0.00 -1.26 -2.87 105.19 100.11 2k5u n GLY 70 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2k5u n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5u n GLN 71 N -0.44 0.00 -4.09 1.61 6.02 -1.26 -5.10 117.38 114.11 2k5u n GLN 71 Ca 0.00 -0.66 -0.33 0.00 -0.01 0.00 0.00 57.00 56.00 2k5u n GLN 71 Cb 0.02 -0.33 -0.07 0.00 1.02 0.00 0.00 30.24 30.88 2k5u n GLN 71 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2k5u s ASP 72 N -0.66 5.71 0.00 1.08 1.01 -1.14 -4.87 116.67 117.80 2k5u s ASP 72 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.41 2k5u s ASP 72 Cb 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.28 2k5u s ASP 72 CO 0.00 0.27 0.00 0.54 0.21 0.00 0.00 175.17 176.19 2k5u n ARG 73 N 1.15 0.00 -2.14 8.23 5.12 -1.26 -5.06 116.66 122.70 2k5u n ARG 73 Ca -0.13 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.49 2k5u n ARG 73 Cb 0.53 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.78 2k5u n ARG 73 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2k5u s ILE 74 N -1.29 3.52 -0.29 0.55 1.10 -1.26 -4.84 121.20 118.69 2k5u s ILE 74 Ca 0.00 -0.37 -0.22 0.00 -0.51 0.00 0.00 60.65 59.55 2k5u s ILE 74 Cb 0.00 -4.19 0.16 0.00 0.15 0.00 0.00 42.46 38.57 2k5u s ILE 74 CO 0.00 -1.13 1.17 -0.60 -2.11 0.00 0.00 174.94 172.27 2k5u s ARG 75 N 6.65 0.30 0.04 3.50 6.06 -1.26 -5.03 118.95 129.20 2k5u s ARG 75 Ca 0.65 0.40 0.24 0.00 -2.50 0.00 0.00 55.73 54.52 2k5u s ARG 75 Cb -0.06 0.12 0.26 0.00 0.06 0.00 0.00 34.95 35.33 2k5u s ARG 75 CO 0.00 -0.04 1.23 0.43 -2.50 0.00 0.00 175.30 174.42 2k5u n SER 76 N 2.43 0.62 -0.03 -2.12 7.64 -1.26 -4.02 113.62 116.87 2k5u n SER 76 Ca -0.14 -0.25 -0.19 0.00 1.01 0.00 0.00 58.87 59.30 2k5u n SER 76 Cb 0.57 0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 64.11 2k5u n SER 76 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k5u h LEU 77 N 0.00 0.21 -2.66 -3.43 6.46 -1.98 -2.96 115.31 110.96 2k5u h LEU 77 Ca 0.00 -0.82 -0.00 0.00 -0.12 0.00 0.00 57.88 56.94 2k5u h LEU 77 Cb 0.61 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2k5u h LEU 77 CO 0.00 1.41 -0.00 -0.25 -0.62 0.00 0.00 178.44 178.97 2k5u h TRP 78 N -0.65 0.00 0.00 1.25 7.01 -1.97 -1.35 115.95 120.25 2k5u h TRP 78 Ca -0.22 0.00 -0.22 0.00 2.11 0.00 0.00 58.89 60.57 2k5u h TRP 78 Cb 1.45 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.48 2k5u h TRP 78 CO 0.17 0.00 -1.17 0.07 -2.79 0.00 0.00 178.44 174.72 2k5u h ARG 79 N 0.00 0.01 0.00 2.65 -0.00 -1.70 -2.82 114.38 112.52 2k5u h ARG 79 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2k5u h ARG 79 Cb 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.08 2k5u h ARG 79 CO 0.00 1.01 0.00 0.72 -0.00 0.00 0.00 179.97 181.70 2k5u n HIS 80 N -4.42 0.00 -0.10 4.08 8.25 -1.12 -2.90 115.22 119.01 2k5u n HIS 80 Ca -0.30 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 56.96 2k5u n HIS 80 Cb 0.67 -0.45 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 2k5u n HIS 80 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2k5u n TYR 81 N -1.45 0.00 -0.33 4.41 4.01 -0.52 -4.32 117.16 118.95 2k5u n TYR 81 Ca 0.04 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 2k5u n TYR 81 Cb 0.16 -0.71 0.23 0.00 -0.31 0.00 0.00 39.34 38.71 2k5u n TYR 81 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2k5u h TYR 82 N -0.79 1.09 -0.13 -0.72 -0.00 -1.55 -2.37 116.97 112.51 2k5u h TYR 82 Ca -0.44 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.31 2k5u h TYR 82 Cb 1.34 -0.36 -0.01 0.00 -0.00 0.00 0.00 36.73 37.71 2k5u h TYR 82 CO -0.13 0.54 0.04 -0.09 -0.00 0.00 0.00 178.16 178.52 2k5u h ARG 83 N 1.04 0.20 -0.32 0.10 2.43 -1.78 -2.69 114.38 113.37 2k5u h ARG 83 Ca 0.43 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 2k5u h ARG 83 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2k5u h ARG 83 CO -0.18 0.33 0.30 -0.97 -1.51 0.00 0.00 179.97 177.94 2k5u h ASN 84 N 0.03 0.00 -4.12 -3.80 -1.24 -1.63 -3.42 115.58 101.41 2k5u h ASN 84 Ca 0.04 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.51 2k5u h ASN 84 Cb 0.21 0.00 0.13 0.00 0.73 0.00 0.00 38.32 39.40 2k5u h ASN 84 CO -0.00 0.00 0.47 -0.89 -1.29 0.00 0.00 177.43 175.72 2k5u s THR 85 N -4.73 2.40 -0.09 -3.57 2.01 -1.01 -4.88 115.64 105.75 2k5u s THR 85 Ca -0.05 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2k5u s THR 85 Cb 0.16 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.66 2k5u s THR 85 CO 0.59 -0.06 0.99 -0.62 -0.69 0.00 0.00 174.62 174.83 2k5u n GLU 86 N -1.89 2.68 -3.94 4.92 -0.58 -0.79 -4.83 120.64 116.21 2k5u n GLU 86 Ca 0.14 -1.47 -0.12 0.00 -0.42 0.00 0.00 57.16 55.29 2k5u n GLU 86 Cb 0.49 -1.03 -0.13 0.00 -0.57 0.00 0.00 31.44 30.20 2k5u n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k5u s GLY 87 N -0.93 0.10 -0.14 0.62 0.00 0.56 -4.12 107.32 103.41 2k5u s GLY 87 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 2k5u s GLY 87 CO 0.02 -0.19 0.05 0.14 0.00 0.00 0.00 173.10 173.11 2k5u s VAL 88 N -0.37 0.21 -0.17 1.40 1.01 -1.15 -2.45 120.40 118.88 2k5u s VAL 88 Ca -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2k5u s VAL 88 Cb -0.03 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.71 2k5u s VAL 88 CO -0.00 -0.10 -0.13 -0.63 0.00 0.00 0.00 175.10 174.24 2k5u s ILE 89 N 2.01 1.64 -0.19 2.22 -1.09 -1.00 -2.27 121.20 122.53 2k5u s ILE 89 Ca 0.02 -0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 57.53 2k5u s ILE 89 Cb -0.15 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.07 2k5u s ILE 89 CO -0.07 0.34 0.11 0.12 -1.23 0.00 0.00 174.94 174.21 2k5u s PHE 90 N 1.43 3.38 -0.08 3.97 5.36 0.20 -1.82 117.98 130.42 2k5u s PHE 90 Ca 0.02 0.27 0.02 0.00 -0.96 0.00 0.00 56.93 56.29 2k5u s PHE 90 Cb -0.14 -2.13 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 2k5u s PHE 90 CO -0.10 0.28 -0.14 0.08 -1.46 0.00 0.00 175.22 173.88 2k5u s VAL 91 N 0.30 1.32 0.29 3.12 1.01 -0.29 -1.45 120.40 124.70 2k5u s VAL 91 Ca 0.07 -0.57 0.12 0.00 0.00 0.00 0.00 61.98 61.60 2k5u s VAL 91 Cb -0.11 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2k5u s VAL 91 CO -0.01 0.40 -0.18 0.54 0.00 0.00 0.00 175.10 175.85 2k5u s VAL 92 N 0.79 2.50 -0.24 2.92 0.11 -1.08 -2.82 120.40 122.58 2k5u s VAL 92 Ca -0.12 -2.36 -0.25 0.00 -2.93 0.00 0.00 61.98 56.32 2k5u s VAL 92 Cb -0.16 -2.36 -0.00 0.00 -1.53 0.00 0.00 36.38 32.33 2k5u s VAL 92 CO 0.02 -0.38 0.86 -1.81 -3.33 0.00 0.00 175.10 170.46 2k5u s ASP 93 N -3.53 6.87 0.47 3.54 1.11 -1.26 -2.87 116.67 121.00 2k5u s ASP 93 Ca 0.30 1.08 0.27 0.00 0.18 0.00 0.00 52.55 54.38 2k5u s ASP 93 Cb -0.04 -2.45 0.93 0.00 1.07 0.00 0.00 42.92 42.43 2k5u s ASP 93 CO 0.15 -0.53 1.82 -1.28 1.18 0.00 0.00 175.17 176.51 2k5u h SER 94 N 7.64 0.00 -0.60 0.27 0.87 -1.86 -2.79 113.55 117.09 2k5u h SER 94 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2k5u h SER 94 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2k5u h SER 94 CO 0.89 0.12 0.00 -3.20 -0.53 0.00 0.00 176.83 174.10 2k5u n ASN 95 N -3.21 3.64 -3.28 6.23 4.05 -1.26 -2.67 115.26 118.75 2k5u n ASN 95 Ca 0.01 -1.99 -0.27 0.00 0.45 0.00 0.00 54.58 52.78 2k5u n ASN 95 Cb 0.42 -0.40 -0.07 0.00 1.23 0.00 0.00 39.78 40.97 2k5u n ASN 95 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 2k5u n ASP 96 N 1.52 3.62 -0.01 1.20 9.92 -1.05 -4.87 116.55 126.88 2k5u n ASP 96 Ca 0.22 -3.44 -0.00 0.00 -0.53 0.00 0.00 54.79 51.04 2k5u n ASP 96 Cb 0.59 -0.64 0.30 0.00 -0.64 0.00 0.00 41.12 40.73 2k5u n ASP 96 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2k5u h ARG 97 N 3.84 0.54 0.00 -1.24 2.43 -1.80 -1.66 114.38 116.49 2k5u h ARG 97 Ca 0.17 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2k5u h ARG 97 Cb 0.64 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2k5u h ARG 97 CO 0.80 0.55 0.01 0.77 -1.51 0.00 0.00 179.97 180.60 2k5u h SER 98 N 0.52 0.00 -0.03 -3.80 0.02 -1.95 -1.10 113.55 107.21 2k5u h SER 98 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2k5u h SER 98 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k5u h SER 98 CO 0.01 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.24 2k5u n ARG 99 N -2.83 0.30 -0.09 3.45 1.74 -0.68 -4.63 116.66 113.92 2k5u n ARG 99 Ca -0.03 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 2k5u n ARG 99 Cb 0.07 -1.09 0.28 0.00 -1.02 0.00 0.00 32.46 30.70 2k5u n ARG 99 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2k5u h ILE 100 N 0.88 1.18 -0.35 0.55 -0.00 -0.59 -0.54 117.51 118.63 2k5u h ILE 100 Ca 0.00 -0.55 -0.07 0.00 -0.00 0.00 0.00 64.86 64.24 2k5u h ILE 100 Cb 0.27 0.56 -0.02 0.00 -0.00 0.00 0.00 36.82 37.63 2k5u h ILE 100 CO 0.00 0.22 -0.09 1.23 -0.00 0.00 0.00 178.15 179.51 2k5u h GLY 101 N 0.85 0.65 1.31 8.18 0.00 -1.82 -1.70 103.07 110.54 2k5u h GLY 101 Ca 0.18 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.92 2k5u h GLY 101 CO -0.02 0.41 -0.36 -2.09 0.00 0.00 0.00 176.54 174.48 2k5u h GLU 102 N 0.56 0.77 -0.61 4.80 4.81 -1.55 -2.55 114.58 120.80 2k5u h GLU 102 Ca 0.10 -0.38 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 2k5u h GLU 102 Cb 0.49 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 2k5u h GLU 102 CO 0.03 1.00 0.19 0.00 -0.73 0.00 0.00 179.01 179.50 2k5u h ALA 103 N 0.96 0.80 -0.38 2.92 0.00 -0.71 -2.73 119.26 120.11 2k5u h ALA 103 Ca 0.06 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2k5u h ALA 103 Cb 0.90 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k5u h ALA 103 CO 0.08 0.47 -0.05 0.07 0.00 0.00 0.00 179.25 179.82 2k5u h ARG 104 N 0.87 0.63 -0.40 0.00 0.11 -1.20 -2.47 114.38 111.93 2k5u h ARG 104 Ca 0.20 -0.17 -0.02 0.00 0.10 0.00 0.00 59.98 60.08 2k5u h ARG 104 Cb 0.29 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.28 2k5u h ARG 104 CO -0.01 0.69 0.15 0.93 0.10 0.00 0.00 179.97 181.83 2k5u h GLU 105 N 0.59 0.59 -0.57 0.08 5.08 -1.17 0.17 114.58 119.36 2k5u h GLU 105 Ca 0.12 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2k5u h GLU 105 Cb 0.45 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2k5u h GLU 105 CO 0.02 0.57 0.11 -0.24 -1.00 0.00 0.00 179.01 178.47 2k5u h VAL 106 N 0.49 1.24 -0.42 3.13 3.04 -1.36 0.25 116.25 122.62 2k5u h VAL 106 Ca 0.13 -0.91 -0.14 0.00 -1.01 0.00 0.00 66.70 64.77 2k5u h VAL 106 Cb 0.20 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 2k5u h VAL 106 CO -0.01 0.34 -0.29 -0.03 -1.01 0.00 0.00 177.57 176.57 2k5u h MET 107 N 0.86 0.91 -0.19 4.17 -1.53 -1.13 -0.22 114.93 117.80 2k5u h MET 107 Ca 0.18 -0.42 -0.05 0.00 -3.44 0.00 0.00 59.70 55.97 2k5u h MET 107 Cb 0.36 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 2k5u h MET 107 CO 0.00 1.07 -0.07 1.96 0.14 0.00 0.00 176.91 180.02 2k5u h GLN 108 N 0.77 0.38 -0.37 0.39 1.08 -0.27 0.00 115.11 117.09 2k5u h GLN 108 Ca 0.09 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 2k5u h GLN 108 Cb 0.86 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2k5u h GLN 108 CO 0.08 0.66 -0.19 -0.09 -0.95 0.00 0.00 178.83 178.34 2k5u h ARG 109 N 0.08 0.78 -0.22 1.46 2.43 -0.96 -2.83 114.38 115.12 2k5u h ARG 109 Ca 0.04 -0.35 -0.10 0.00 -0.81 0.00 0.00 59.98 58.76 2k5u h ARG 109 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2k5u h ARG 109 CO 0.02 0.97 -0.31 0.00 -1.51 0.00 0.00 179.97 179.14 2k5u h MET 110 N 0.58 0.45 0.00 0.20 -0.00 -1.04 -2.39 114.93 112.73 2k5u h MET 110 Ca 0.08 -0.19 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 2k5u h MET 110 Cb 0.74 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2k5u h MET 110 CO 0.06 0.72 0.00 -0.11 -0.00 0.00 0.00 176.91 177.57 2k5u n LEU 111 N -4.08 0.14 -0.11 -0.10 0.00 -0.02 -2.55 117.00 110.29 2k5u n LEU 111 Ca -0.01 0.53 0.08 0.00 0.00 0.00 0.00 56.01 56.61 2k5u n LEU 111 Cb 0.44 -0.50 0.45 0.00 0.00 0.00 0.00 43.42 43.81 2k5u n LEU 111 CO 0.43 -0.24 0.79 -3.20 0.00 0.00 0.00 177.39 175.17 2k5u n ASN 112 N -1.65 0.32 -4.61 1.96 5.15 -0.90 -4.71 115.26 110.83 2k5u n ASN 112 Ca 0.04 -1.55 -0.43 0.00 -0.60 0.00 0.00 54.58 52.04 2k5u n ASN 112 Cb 0.23 -0.02 -0.02 0.00 -0.53 0.00 0.00 39.78 39.44 2k5u n ASN 112 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k5u s GLU 113 N -1.95 3.75 0.39 1.20 8.01 -1.06 -4.89 118.70 124.15 2k5u s GLU 113 Ca 0.25 0.81 0.13 0.00 0.01 0.00 0.00 54.97 56.17 2k5u s GLU 113 Cb 0.12 -3.92 0.95 0.00 -4.31 0.00 0.00 34.13 26.97 2k5u s GLU 113 CO 0.20 -1.34 1.90 0.38 0.01 0.00 0.00 175.26 176.40 2k5u h ASP 114 N 9.50 0.51 0.65 -0.19 3.04 -1.92 0.39 116.42 128.39 2k5u h ASP 114 Ca -0.24 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 2k5u h ASP 114 Cb 1.08 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 2k5u h ASP 114 CO 1.09 0.26 0.00 -0.62 -2.04 0.00 0.00 179.24 177.93 2k5u n GLU 115 N -4.51 0.07 0.00 4.15 1.02 -1.26 -2.45 120.64 117.66 2k5u n GLU 115 Ca 0.16 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2k5u n GLU 115 Cb 0.50 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2k5u n GLU 115 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k5u n LEU 116 N -1.77 1.71 0.29 -4.62 4.32 0.11 -4.71 117.00 112.33 2k5u n LEU 116 Ca 0.03 -1.71 0.18 0.00 -0.02 0.00 0.00 56.01 54.50 2k5u n LEU 116 Cb 0.21 0.00 0.95 0.00 -1.62 0.00 0.00 43.42 42.96 2k5u n LEU 116 CO 0.17 0.43 1.15 -0.09 -1.22 0.00 0.00 177.39 177.83 2k5u h ARG 117 N 0.00 0.00 -0.30 3.23 1.12 -0.64 0.14 114.38 117.94 2k5u h ARG 117 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k5u h ARG 117 Cb 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 2k5u h ARG 117 CO 0.00 0.00 0.00 0.09 -3.11 0.00 0.00 179.97 176.95 2k5u n ASN 118 N -3.26 3.80 -4.82 -3.80 5.03 -1.26 -5.01 115.26 105.95 2k5u n ASN 118 Ca -0.01 -2.81 -0.36 0.00 0.87 0.00 0.00 54.58 52.27 2k5u n ASN 118 Cb 0.27 -0.49 -0.06 0.00 -1.02 0.00 0.00 39.78 38.48 2k5u n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2k5u s ALA 119 N -2.45 3.40 -0.22 5.41 0.00 0.50 -5.04 121.76 123.37 2k5u s ALA 119 Ca 0.39 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 2k5u s ALA 119 Cb 0.30 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.59 2k5u s ALA 119 CO 0.11 0.32 0.88 0.00 0.00 0.00 0.00 175.76 177.07 2k5u s ALA 120 N -1.54 3.62 -0.06 0.00 0.00 -1.26 -4.94 121.76 117.57 2k5u s ALA 120 Ca 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2k5u s ALA 120 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2k5u s ALA 120 CO 0.21 -0.88 -0.07 -1.58 0.00 0.00 0.00 175.76 173.43 2k5u s TRP 121 N 2.75 2.92 -0.02 0.00 0.52 -1.13 -2.92 118.94 121.06 2k5u s TRP 121 Ca 0.38 0.01 0.04 0.00 0.02 0.00 0.00 56.10 56.55 2k5u s TRP 121 Cb -0.16 -1.70 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 2k5u s TRP 121 CO 0.08 0.32 -0.14 -1.17 0.02 0.00 0.00 176.95 176.07 2k5u s LEU 122 N -0.84 1.98 -0.15 2.99 2.96 -0.96 -2.58 118.68 122.08 2k5u s LEU 122 Ca 0.13 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2k5u s LEU 122 Cb -0.11 -0.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 2k5u s LEU 122 CO 0.02 0.16 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.46 2k5u s VAL 123 N -0.22 3.70 -0.11 1.68 1.01 0.11 0.60 120.40 127.17 2k5u s VAL 123 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.60 2k5u s VAL 123 Cb -0.07 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2k5u s VAL 123 CO -0.00 0.50 -0.16 -0.36 0.00 0.00 0.00 175.10 175.08 2k5u s PHE 124 N 0.38 2.03 -0.25 5.22 0.08 -0.53 -1.68 117.98 123.24 2k5u s PHE 124 Ca -0.06 -0.94 -0.19 0.00 0.12 0.00 0.00 56.93 55.86 2k5u s PHE 124 Cb -0.15 -1.45 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 2k5u s PHE 124 CO 0.04 -0.47 0.57 0.00 -0.10 0.00 0.00 175.22 175.25 2k5u s ALA 125 N 0.91 3.59 -0.30 5.36 0.00 0.26 -2.64 121.76 128.94 2k5u s ALA 125 Ca -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 2k5u s ALA 125 Cb -0.15 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.08 2k5u s ALA 125 CO -0.01 -0.72 -0.01 -0.80 0.00 0.00 0.00 175.76 174.23 2k5u s ASN 126 N 1.44 4.82 0.00 0.00 0.01 -1.14 0.18 114.94 120.26 2k5u s ASN 126 Ca 0.24 -1.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.03 2k5u s ASN 126 Cb -0.16 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 39.82 2k5u s ASN 126 CO 0.09 -0.26 0.00 0.29 -1.51 0.00 0.00 177.10 175.71 2k5u n LYS 127 N 4.57 0.00 0.13 -0.60 5.02 -0.78 -2.78 118.16 123.72 2k5u n LYS 127 Ca -0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.29 2k5u n LYS 127 Cb 0.43 0.00 0.47 0.00 -0.02 0.00 0.00 35.03 35.91 2k5u n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k5u n GLN 128 N 0.00 0.22 0.19 1.97 3.00 0.64 -2.37 117.38 121.04 2k5u n GLN 128 Ca 0.00 0.36 0.08 0.00 -0.01 0.00 0.00 57.00 57.43 2k5u n GLN 128 Cb 0.00 -1.86 0.27 0.00 0.00 0.00 0.00 30.24 28.65 2k5u n GLN 128 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2k5u h ASP 129 N 0.00 0.00 -3.56 1.08 3.04 -1.93 -3.45 116.42 111.60 2k5u h ASP 129 Ca 0.00 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.27 2k5u h ASP 129 Cb 0.48 0.00 0.05 0.00 -1.04 0.00 0.00 39.33 38.83 2k5u h ASP 129 CO 0.00 0.28 0.68 -0.76 -2.04 0.00 0.00 179.24 177.40 2k5u s LEU 130 N -6.57 4.41 0.45 0.15 1.43 -1.00 -4.91 118.68 112.64 2k5u s LEU 130 Ca 0.03 2.59 0.30 0.00 -1.03 0.00 0.00 54.13 56.01 2k5u s LEU 130 Cb 0.08 -3.63 1.20 0.00 0.03 0.00 0.00 46.19 43.88 2k5u s LEU 130 CO 0.68 -0.58 1.88 1.55 0.23 0.00 0.00 176.35 180.11 2k5u h PRO 131 N 4.54 0.00 -0.32 1.29 0.13 -1.89 -2.83 132.00 132.92 2k5u h PRO 131 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2k5u h PRO 131 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2k5u h PRO 131 CO 0.73 0.00 0.01 -0.85 -0.23 0.00 0.00 178.00 177.66 2k5u n GLU 132 N -2.79 2.63 -3.28 0.86 0.28 -1.26 -5.01 120.64 112.06 2k5u n GLU 132 Ca 0.01 -2.95 -0.34 0.00 -0.16 0.00 0.00 57.16 53.72 2k5u n GLU 132 Cb 0.29 -1.86 -0.06 0.00 1.43 0.00 0.00 31.44 31.24 2k5u n GLU 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k5u s ALA 133 N -2.97 3.49 0.47 -1.84 0.00 -1.07 -4.85 121.76 114.99 2k5u s ALA 133 Ca 0.44 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 2k5u s ALA 133 Cb 0.37 -2.61 -0.08 0.00 0.00 0.00 0.00 23.12 20.79 2k5u s ALA 133 CO 0.07 0.42 0.93 0.00 0.00 0.00 0.00 175.76 177.18 2k5u s MET 134 N -2.41 3.99 0.44 0.00 0.23 -1.09 -5.03 119.30 115.43 2k5u s MET 134 Ca 0.45 0.91 -0.21 0.00 -1.03 0.00 0.00 55.69 55.81 2k5u s MET 134 Cb -0.13 -2.20 -0.10 0.00 -1.53 0.00 0.00 34.83 30.87 2k5u s MET 134 CO 0.20 -0.16 0.99 -1.12 -2.03 0.00 0.00 175.02 172.89 2k5u s SER 135 N -2.84 6.73 0.34 -1.18 0.01 -1.26 -4.88 113.70 110.61 2k5u s SER 135 Ca 0.58 1.80 0.10 0.00 1.31 0.00 0.00 55.95 59.74 2k5u s SER 135 Cb -0.10 -2.55 0.86 0.00 0.21 0.00 0.00 66.02 64.44 2k5u s SER 135 CO 0.27 -0.51 1.79 0.00 0.41 0.00 0.00 173.24 175.19 2k5u h ALA 136 N 1.86 1.85 -0.59 1.44 0.00 -1.96 0.27 119.26 122.12 2k5u h ALA 136 Ca -0.49 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2k5u h ALA 136 Cb 1.20 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2k5u h ALA 136 CO 0.60 -0.22 0.21 0.00 0.00 0.00 0.00 179.25 179.85 2k5u h ALA 137 N 1.64 0.77 -0.16 0.00 0.00 -1.99 -0.61 119.26 118.92 2k5u h ALA 137 Ca 0.57 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 2k5u h ALA 137 Cb 1.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2k5u h ALA 137 CO -0.34 0.42 -0.40 1.49 0.00 0.00 0.00 179.25 180.41 2k5u h GLU 138 N 0.83 0.37 -0.27 0.00 4.22 -1.38 -2.74 114.58 115.61 2k5u h GLU 138 Ca 0.19 -0.18 -0.09 0.00 0.08 0.00 0.00 59.36 59.37 2k5u h GLU 138 Cb 0.25 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k5u h GLU 138 CO -0.01 0.71 -0.19 0.82 -2.18 0.00 0.00 179.01 178.17 2k5u h ILE 139 N 0.31 1.30 -0.96 2.32 2.04 -0.85 -0.38 117.51 121.30 2k5u h ILE 139 Ca 0.03 -1.31 0.05 0.00 1.00 0.00 0.00 64.86 64.63 2k5u h ILE 139 Cb 0.84 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.43 2k5u h ILE 139 CO 0.07 0.41 0.62 0.71 0.00 0.00 0.00 178.15 179.97 2k5u h THR 140 N 0.33 1.12 -0.04 -0.27 1.35 -1.01 0.30 112.91 114.69 2k5u h THR 140 Ca 0.05 -0.40 -0.21 0.00 -0.55 0.00 0.00 66.41 65.31 2k5u h THR 140 Cb 0.72 -0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2k5u h THR 140 CO 0.05 0.21 -0.85 -0.33 -0.25 0.00 0.00 175.52 174.35 2k5u h GLU 141 N 1.16 0.44 -0.38 4.72 5.08 -1.39 0.88 114.58 125.09 2k5u h GLU 141 Ca 0.40 -0.42 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 2k5u h GLU 141 Cb 0.10 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k5u h GLU 141 CO -0.14 1.07 -0.29 0.87 -1.00 0.00 0.00 179.01 179.52 2k5u h LYS 142 N 0.27 0.86 -0.10 2.33 1.79 -0.20 -2.80 116.57 118.72 2k5u h LYS 142 Ca -0.06 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2k5u h LYS 142 Cb 1.47 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 2k5u h LYS 142 CO 0.15 1.06 0.00 1.47 -1.08 0.00 0.00 179.45 181.05 2k5u n LEU 143 N -4.17 0.92 -1.51 2.94 -0.00 0.98 -4.77 117.00 111.39 2k5u n LEU 143 Ca -0.02 -0.39 -0.15 0.00 -0.00 0.00 0.00 56.01 55.45 2k5u n LEU 143 Cb 0.48 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.81 2k5u n LEU 143 CO 0.46 0.19 -0.18 0.61 -0.00 0.00 0.00 177.39 178.48 2k5u n GLY 144 N 0.97 0.51 0.29 1.47 0.00 -0.98 -4.72 105.19 102.72 2k5u n GLY 144 Ca 0.15 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.08 2k5u n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k5u h LEU 145 N 0.00 0.00 -0.56 0.99 6.46 0.52 -1.30 115.31 121.42 2k5u h LEU 145 Ca -0.34 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.35 2k5u h LEU 145 Cb 1.16 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 2k5u h LEU 145 CO 0.44 0.03 -0.31 -0.74 -0.62 0.00 0.00 178.44 177.24 2k5u h HIS 146 N 0.00 0.00 0.00 1.25 2.76 -1.86 -2.92 115.15 114.39 2k5u h HIS 146 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k5u h HIS 146 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2k5u h HIS 146 CO 0.00 0.31 0.00 0.45 -1.30 0.00 0.00 177.93 177.39 2k5u n SER 147 N -3.30 0.00 -4.63 3.26 2.88 -0.49 -4.68 113.62 106.66 2k5u n SER 147 Ca 0.01 -0.22 -0.41 0.00 -1.33 0.00 0.00 58.87 56.92 2k5u n SER 147 Cb 0.56 -0.19 -0.05 0.00 -0.75 0.00 0.00 64.21 63.78 2k5u n SER 147 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k5u s ILE 148 N -2.38 4.88 -0.27 2.46 1.01 -1.10 -5.03 121.20 120.77 2k5u s ILE 148 Ca 0.23 1.35 0.01 0.00 0.00 0.00 0.00 60.65 62.24 2k5u s ILE 148 Cb 0.14 -4.06 0.06 0.00 0.01 0.00 0.00 42.46 38.60 2k5u s ILE 148 CO 0.28 -0.07 -0.07 0.00 0.00 0.00 0.00 174.94 175.08 2k5u s ARG 149 N 2.74 2.32 0.00 2.79 3.03 -1.26 -4.69 118.95 123.88 2k5u s ARG 149 Ca 0.31 -1.31 0.00 0.00 2.03 0.00 0.00 55.73 56.76 2k5u s ARG 149 Cb -0.15 -2.99 0.00 0.00 -1.03 0.00 0.00 34.95 30.78 2k5u s ARG 149 CO 0.09 -0.58 0.00 0.09 -1.13 0.00 0.00 175.30 173.76 2k5u n ASN 150 N 4.50 0.00 -4.14 -2.89 4.13 -1.26 -4.95 115.26 110.65 2k5u n ASN 150 Ca -0.14 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.78 2k5u n ASN 150 Cb 0.43 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.61 2k5u n ASN 150 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k5u n ARG 151 N 0.00 -0.70 0.02 3.52 5.12 -1.26 -4.85 116.66 118.50 2k5u n ARG 151 Ca 0.00 0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 55.96 2k5u n ARG 151 Cb 0.00 -2.90 -0.10 0.00 -1.16 0.00 0.00 32.46 28.30 2k5u n ARG 151 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2k5u n PRO 152 N -4.48 0.63 -4.21 5.56 -0.04 -1.26 -5.01 135.00 126.19 2k5u n PRO 152 Ca -0.23 0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2k5u n PRO 152 Cb 0.60 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 2k5u n PRO 152 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2k5u s TRP 153 N -2.87 1.29 0.09 0.54 -2.14 -1.25 -2.84 118.94 111.77 2k5u s TRP 153 Ca -0.04 -1.43 0.04 0.00 2.66 0.00 0.00 56.10 57.33 2k5u s TRP 153 Cb 0.09 -0.55 -0.03 0.00 -3.10 0.00 0.00 33.47 29.88 2k5u s TRP 153 CO 0.82 -0.75 -0.10 0.12 -2.66 0.00 0.00 176.95 174.37 2k5u s PHE 154 N -3.89 1.06 0.03 1.66 5.36 -1.07 -5.01 117.98 116.12 2k5u s PHE 154 Ca 0.38 -0.62 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 2k5u s PHE 154 Cb 0.05 -0.58 -0.02 0.00 -0.34 0.00 0.00 43.02 42.12 2k5u s PHE 154 CO 0.17 0.00 -0.19 -1.50 -1.46 0.00 0.00 175.22 172.25 2k5u s ILE 155 N -2.25 1.48 -0.15 3.12 -1.16 -1.26 0.05 121.20 121.03 2k5u s ILE 155 Ca 0.04 -1.04 -0.11 0.00 -0.51 0.00 0.00 60.65 59.03 2k5u s ILE 155 Cb -0.04 -1.28 0.04 0.00 0.61 0.00 0.00 42.46 41.79 2k5u s ILE 155 CO 0.00 0.22 0.38 -1.58 -2.81 0.00 0.00 174.94 171.15 2k5u s GLN 156 N -0.96 0.41 0.08 3.50 -0.44 -0.67 -4.98 119.66 116.60 2k5u s GLN 156 Ca 0.06 0.61 -0.21 0.00 -2.50 0.00 0.00 55.36 53.32 2k5u s GLN 156 Cb -0.08 0.12 -0.07 0.00 -1.64 0.00 0.00 33.01 31.34 2k5u s GLN 156 CO 0.01 -0.09 0.63 0.00 0.50 0.00 0.00 175.29 176.33 2k5u s ALA 157 N 0.65 3.54 0.31 1.58 0.00 -1.26 -0.57 121.76 126.00 2k5u s ALA 157 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 2k5u s ALA 157 Cb -0.05 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2k5u s ALA 157 CO -0.04 0.34 0.49 0.95 0.00 0.00 0.00 175.76 177.50 2k5u s THR 158 N -0.98 0.00 -0.22 0.00 -4.23 0.13 -4.71 115.64 105.63 2k5u s THR 158 Ca 0.31 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2k5u s THR 158 Cb -0.20 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.20 2k5u s THR 158 CO 0.21 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.30 2k5u h ALA 160 N 8.14 1.86 0.08 0.00 0.00 -1.88 -1.58 119.26 125.87 2k5u h ALA 160 Ca -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k5u h ALA 160 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k5u h ALA 160 CO 0.37 0.04 -0.04 0.00 0.00 0.00 0.00 179.25 179.62 2k5u h THR 161 N 0.00 1.15 0.00 0.00 1.03 -1.96 -3.31 112.91 109.82 2k5u h THR 161 Ca -0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 66.41 65.03 2k5u h THR 161 Cb 0.06 1.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.10 2k5u h THR 161 CO 0.00 0.31 -0.16 -0.24 -0.01 0.00 0.00 175.52 175.42 2k5u n SER 162 N -4.84 0.21 0.00 0.00 2.88 -1.22 -4.90 113.62 105.75 2k5u n SER 162 Ca -0.08 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2k5u n SER 162 Cb 0.29 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2k5u n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5u n GLY 163 N 1.48 0.65 3.64 0.46 0.00 -0.60 -4.96 105.19 105.86 2k5u n GLY 163 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2k5u n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5u s GLU 164 N -0.30 3.98 0.00 1.61 2.56 -1.19 -2.57 118.70 122.79 2k5u s GLU 164 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 54.97 56.43 2k5u s GLU 164 Cb 0.00 -3.89 0.00 0.00 2.00 0.00 0.00 34.13 32.24 2k5u s GLU 164 CO 0.00 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.06 2k5u n GLY 165 N 4.21 3.07 0.12 -1.50 0.00 -1.26 -1.22 105.19 108.61 2k5u n GLY 165 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2k5u n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k5u h LEU 166 N 0.00 0.33 0.07 0.99 3.38 -1.79 -1.33 115.31 116.96 2k5u h LEU 166 Ca 0.00 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 2k5u h LEU 166 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2k5u h LEU 166 CO 0.00 0.79 -0.03 0.22 0.09 0.00 0.00 178.44 179.51 2k5u h TYR 167 N -0.12 -0.09 0.00 1.13 3.20 -1.92 -1.90 116.97 117.28 2k5u h TYR 167 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 2k5u h TYR 167 Cb 0.72 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.01 2k5u h TYR 167 CO 0.10 0.21 -0.14 1.49 -1.64 0.00 0.00 178.16 178.18 2k5u h GLU 168 N -0.39 0.00 -0.02 1.82 4.57 -1.89 0.03 114.58 118.70 2k5u h GLU 168 Ca -0.01 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 2k5u h GLU 168 Cb 0.34 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2k5u h GLU 168 CO 0.02 0.14 -0.89 0.78 -1.18 0.00 0.00 179.01 177.88 2k5u h GLY 169 N 0.60 0.70 0.65 1.92 0.00 -1.10 -2.66 103.07 103.17 2k5u h GLY 169 Ca -0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.07 2k5u h GLY 169 CO 0.02 1.06 -0.16 -2.00 0.00 0.00 0.00 176.54 175.47 2k5u h LEU 170 N 0.27 0.29 -0.64 3.11 7.12 -1.04 -2.37 115.31 122.06 2k5u h LEU 170 Ca -0.11 -0.55 0.11 0.00 0.13 0.00 0.00 57.88 57.47 2k5u h LEU 170 Cb 1.55 -0.08 -0.08 0.00 -0.53 0.00 0.00 40.66 41.52 2k5u h LEU 170 CO 0.18 0.78 0.21 -0.33 -0.13 0.00 0.00 178.44 179.15 2k5u h GLU 171 N -0.19 0.36 -0.61 1.25 4.39 -1.09 0.15 114.58 118.83 2k5u h GLU 171 Ca 0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2k5u h GLU 171 Cb 0.73 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 2k5u h GLU 171 CO 0.04 0.24 0.35 -1.49 -1.16 0.00 0.00 179.01 176.98 2k5u h TRP 172 N 0.37 0.82 -0.71 4.33 4.06 -1.45 -2.30 115.95 121.07 2k5u h TRP 172 Ca 0.33 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 61.28 2k5u h TRP 172 Cb 0.46 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.32 2k5u h TRP 172 CO -0.19 0.58 0.47 1.25 -3.56 0.00 0.00 178.44 176.98 2k5u h LEU 173 N 0.83 0.82 -0.70 -4.49 7.12 -0.54 -2.26 115.31 116.08 2k5u h LEU 173 Ca 0.22 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.20 2k5u h LEU 173 Cb 0.01 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 39.90 2k5u h LEU 173 CO -0.04 0.59 0.41 0.28 -0.13 0.00 0.00 178.44 179.56 2k5u h SER 174 N 0.96 0.85 -0.56 1.25 0.02 -0.48 -1.98 113.55 113.62 2k5u h SER 174 Ca 0.26 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2k5u h SER 174 Cb -0.11 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 2k5u h SER 174 CO -0.06 0.67 0.36 0.78 -1.14 0.00 0.00 176.83 177.45 2k5u h ASN 175 N 0.96 0.61 -0.12 3.07 2.35 -1.17 0.36 115.58 121.64 2k5u h ASN 175 Ca 0.25 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 2k5u h ASN 175 Cb -0.01 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2k5u h ASN 175 CO -0.05 0.44 -0.13 0.28 -1.65 0.00 0.00 177.43 176.32 2k5u h SER 176 N 0.73 0.46 1.28 5.81 0.02 -1.30 0.19 113.55 120.73 2k5u h SER 176 Ca 0.21 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 2k5u h SER 176 Cb -0.05 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2k5u h SER 176 CO -0.06 0.62 -0.74 -0.07 -1.14 0.00 0.00 176.83 175.44 2k5u h LEU 177 N 0.44 0.00 0.00 5.07 4.07 -0.81 -3.30 115.31 120.78 2k5u h LEU 177 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2k5u h LEU 177 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 2k5u h LEU 177 CO 0.03 0.63 -0.84 0.07 -1.08 0.00 0.00 178.44 177.25 2k5u h LYS 178 N 0.00 0.00 -2.89 1.13 5.09 0.00 -3.40 116.57 116.50 2k5u h LYS 178 Ca -0.03 0.00 -0.76 0.00 0.09 0.00 0.00 60.65 59.95 2k5u h LYS 178 Cb 1.51 0.00 -0.31 0.00 0.10 0.00 0.00 32.23 33.52 2k5u h LYS 178 CO 0.08 0.00 0.40 0.27 -2.09 0.00 0.00 179.45 178.11 2k5u n ASN 179 N -2.60 5.62 -4.54 7.07 6.94 0.03 -5.00 115.26 122.78 2k5u n ASN 179 Ca 0.01 -3.35 -0.41 0.00 -0.02 0.00 0.00 54.58 50.80 2k5u n ASN 179 Cb 0.53 -1.15 -0.03 0.00 -2.36 0.00 0.00 39.78 36.77 2k5u n ASN 179 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2k5u s SER 180 N -1.41 6.16 0.00 0.53 0.15 -1.26 -4.91 113.70 112.96 2k5u s SER 180 Ca 0.32 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2k5u s SER 180 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2k5u s SER 180 CO 0.04 -1.78 0.00 1.07 1.20 0.00 0.00 173.24 173.77