#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5u h LEU 3 N 0.00 0.83 0.00 0.99 -0.00 -2.04 -3.27 115.31 111.81 2k5u h LEU 3 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2k5u h LEU 3 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 2k5u h LEU 3 CO 0.00 0.74 0.00 0.33 -0.00 0.00 0.00 178.44 179.51 2k5u n PHE 4 N -4.31 0.00 -3.85 1.13 -0.00 -1.26 -4.98 117.46 104.18 2k5u n PHE 4 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.40 2k5u n PHE 4 Cb 0.17 -0.44 -0.01 0.00 -0.00 0.00 0.00 39.48 39.20 2k5u n PHE 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2k5u n ALA 5 N -1.86 -0.55 -3.23 3.13 0.00 -1.23 -5.19 120.51 111.58 2k5u n ALA 5 Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 2k5u n ALA 5 Cb 0.00 0.94 0.04 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.65 1.80 0.19 0.00 2.88 -1.26 -3.12 113.62 112.46 2k5u n SER 6 Ca -0.01 -2.25 0.07 0.00 -1.33 0.00 0.00 58.87 55.35 2k5u n SER 6 Cb 0.45 -0.25 0.23 0.00 -0.75 0.00 0.00 64.21 63.89 2k5u n SER 6 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2k5u h LYS 7 N 0.00 0.00 -2.87 -1.46 1.79 -2.03 -3.47 116.57 108.53 2k5u h LYS 7 Ca -0.22 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.88 2k5u h LYS 7 Cb 0.96 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 2k5u h LYS 7 CO 0.33 0.30 -0.49 1.28 -1.08 0.00 0.00 179.45 179.79 2k5u n LEU 8 N -3.26 -1.96 -1.39 2.94 4.32 -1.26 -4.87 117.00 111.52 2k5u n LEU 8 Ca 0.02 -0.06 0.03 0.00 -0.02 0.00 0.00 56.01 55.98 2k5u n LEU 8 Cb 0.58 -2.69 0.07 0.00 -1.62 0.00 0.00 43.42 39.76 2k5u n LEU 8 CO 0.36 -0.13 0.14 0.33 -1.22 0.00 0.00 177.39 176.87 2k5u n PHE 9 N -4.08 0.19 0.00 -1.77 7.35 -1.26 -4.82 117.46 113.07 2k5u n PHE 9 Ca -0.20 -0.96 0.00 0.00 -0.76 0.00 0.00 57.45 55.53 2k5u n PHE 9 Cb 0.66 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.30 2k5u n PHE 9 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2k5u n SER 10 N -0.06 0.00 -2.18 -2.13 2.88 -1.26 -5.04 113.62 105.83 2k5u n SER 10 Ca 0.11 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.48 2k5u n SER 10 Cb 0.99 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.47 2k5u n SER 10 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k5u n ASN 11 N -1.61 -5.09 -4.69 -3.46 4.13 -1.26 -4.71 115.26 98.56 2k5u n ASN 11 Ca 0.00 -0.12 -0.42 0.00 1.68 0.00 0.00 54.58 55.71 2k5u n ASN 11 Cb 0.00 -4.06 -0.03 0.00 -1.54 0.00 0.00 39.78 34.15 2k5u n ASN 11 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2k5u s LEU 12 N -5.12 4.30 0.00 3.41 2.96 -1.26 -4.90 118.68 118.07 2k5u s LEU 12 Ca 0.12 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.85 2k5u s LEU 12 Cb -0.05 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2k5u s LEU 12 CO 0.15 -0.53 0.00 0.33 -1.32 0.00 0.00 176.35 174.98 2k5u n PHE 13 N 4.84 0.00 -1.20 5.38 -0.00 -1.26 -5.13 117.46 120.10 2k5u n PHE 13 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.62 2k5u n PHE 13 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.93 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 0.00 -0.83 0.43 7.13 0.00 -1.26 -4.93 105.19 105.73 2k5u n GLY 14 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 2k5u n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k5u n ASN 15 N -4.17 -0.09 -2.46 1.61 0.23 -1.26 -5.02 115.26 104.10 2k5u n ASN 15 Ca 0.00 -0.21 -0.22 0.00 -0.53 0.00 0.00 54.58 53.62 2k5u n ASN 15 Cb 0.25 0.03 -0.11 0.00 -2.08 0.00 0.00 39.78 37.87 2k5u n ASN 15 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2k5u n LYS 16 N 0.00 2.60 -2.29 -3.83 4.81 -1.26 -4.80 118.16 113.39 2k5u n LYS 16 Ca -0.03 -1.63 -0.01 0.00 -0.87 0.00 0.00 58.31 55.77 2k5u n LYS 16 Cb 0.24 -2.24 -0.01 0.00 0.02 0.00 0.00 35.03 33.04 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 2.42 -4.68 -3.72 1.64 1.02 -1.26 -5.06 120.64 110.99 2k5u n GLU 17 Ca 0.53 3.46 -0.14 0.00 -0.02 0.00 0.00 57.16 60.98 2k5u n GLU 17 Cb 0.67 -4.46 -0.15 0.00 -0.02 0.00 0.00 31.44 27.49 2k5u n GLU 17 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2k5u s MET 18 N -0.73 0.08 -0.30 3.49 -1.94 -1.26 -4.84 119.30 113.80 2k5u s MET 18 Ca -0.05 0.44 0.00 0.00 -1.71 0.00 0.00 55.69 54.37 2k5u s MET 18 Cb 0.00 -0.20 0.14 0.00 2.01 0.00 0.00 34.83 36.79 2k5u s MET 18 CO 0.14 -0.20 0.31 1.03 -0.01 0.00 0.00 175.02 176.29 2k5u s ARG 19 N 1.48 0.38 0.39 2.03 3.00 -1.26 -2.69 118.95 122.29 2k5u s ARG 19 Ca -0.06 -0.26 -0.22 0.00 0.00 0.00 0.00 55.73 55.18 2k5u s ARG 19 Cb -0.12 -0.66 -0.11 0.00 0.00 0.00 0.00 34.95 34.07 2k5u s ARG 19 CO -0.06 -1.06 0.94 0.42 0.00 0.00 0.00 175.30 175.54 2k5u s ILE 20 N 2.20 4.35 0.03 1.52 -1.09 0.07 0.20 121.20 128.48 2k5u s ILE 20 Ca 0.11 1.57 0.01 0.00 -2.23 0.00 0.00 60.65 60.11 2k5u s ILE 20 Cb -0.14 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2k5u s ILE 20 CO -0.28 -0.18 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.45 2k5u s LEU 21 N -2.83 2.27 -0.28 2.97 1.02 -0.52 -2.62 118.68 118.68 2k5u s LEU 21 Ca 0.58 -0.57 0.01 0.00 0.02 0.00 0.00 54.13 54.17 2k5u s LEU 21 Cb -0.12 0.03 0.06 0.00 0.02 0.00 0.00 46.19 46.18 2k5u s LEU 21 CO 0.16 -0.30 -0.05 0.00 0.02 0.00 0.00 176.35 176.18 2k5u s MET 22 N -1.77 2.26 0.27 1.70 0.23 -0.89 -0.11 119.30 120.98 2k5u s MET 22 Ca -0.12 -1.36 0.10 0.00 -1.03 0.00 0.00 55.69 53.28 2k5u s MET 22 Cb -0.08 -3.03 -0.04 0.00 -1.53 0.00 0.00 34.83 30.15 2k5u s MET 22 CO -0.01 -0.62 -0.05 0.08 -2.03 0.00 0.00 175.02 172.39 2k5u s VAL 23 N 1.14 3.24 -5.00 5.16 1.01 -0.95 -3.02 120.40 121.98 2k5u s VAL 23 Ca -0.06 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.91 2k5u s VAL 23 Cb -0.20 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.46 2k5u s VAL 23 CO -0.04 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.30 2k5u n GLY 24 N -0.81 -0.97 3.76 4.51 0.00 -1.25 -2.64 105.19 107.81 2k5u n GLY 24 Ca -0.06 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 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 3.70 0.66 0.99 1.43 -1.26 0.11 118.68 124.31 2k5u s LEU 25 Ca 0.00 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 2k5u s LEU 25 Cb 0.00 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.63 2k5u s LEU 25 CO 0.00 -1.40 1.29 -0.62 0.23 0.00 0.00 176.35 175.84 2k5u s ASP 26 N -1.71 4.51 -0.03 2.29 2.15 -1.26 -2.11 116.67 120.51 2k5u s ASP 26 Ca 0.75 2.60 0.00 0.00 0.43 0.00 0.00 52.55 56.33 2k5u s ASP 26 Cb -0.27 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 2k5u s ASP 26 CO 0.30 -2.07 0.00 0.61 -0.17 0.00 0.00 175.17 173.84 2k5u n GLY 27 N 0.85 0.03 0.33 2.66 0.00 -1.26 -4.80 105.19 103.01 2k5u n GLY 27 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 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 0.01 1.64 0.00 4.61 0.00 -1.79 -3.45 119.26 120.27 2k5u h ALA 28 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5u h ALA 28 Cb 0.86 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k5u h ALA 28 CO 0.01 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2k5u n GLY 29 N -1.45 0.80 0.13 0.00 0.00 -1.26 -4.65 105.19 98.75 2k5u n GLY 29 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 2k5u n GLY 29 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k5u h LYS 30 N 0.00 0.33 -0.23 1.61 2.10 -1.91 -2.95 116.57 115.52 2k5u h LYS 30 Ca 0.00 -0.26 0.04 0.00 -2.00 0.00 0.00 60.65 58.43 2k5u h LYS 30 Cb 0.00 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 2k5u h LYS 30 CO 0.00 0.90 0.16 1.79 -2.00 0.00 0.00 179.45 180.30 2k5u h THR 31 N -0.16 0.95 0.04 0.07 1.35 -1.97 0.33 112.91 113.52 2k5u h THR 31 Ca -0.02 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2k5u h THR 31 Cb 0.94 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 2k5u h THR 31 CO 0.06 0.02 -0.02 0.74 -0.25 0.00 0.00 175.52 176.08 2k5u h THR 32 N 0.13 1.22 -0.28 6.82 2.02 -1.97 -2.55 112.91 118.30 2k5u h THR 32 Ca 0.10 -0.83 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 2k5u h THR 32 Cb 0.25 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2k5u h THR 32 CO -0.01 0.21 -0.32 0.58 0.37 0.00 0.00 175.52 176.35 2k5u h VAL 33 N -0.42 1.28 -0.66 3.16 2.07 -1.23 -2.89 116.25 117.55 2k5u h VAL 33 Ca -0.01 -1.43 0.09 0.00 0.82 0.00 0.00 66.70 66.17 2k5u h VAL 33 Cb 0.38 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 2k5u h VAL 33 CO 0.01 0.46 0.31 0.25 0.02 0.00 0.00 177.57 178.62 2k5u h LEU 34 N 0.51 0.40 -0.65 2.57 7.12 -0.33 -1.18 115.31 123.75 2k5u h LEU 34 Ca 0.06 0.06 -0.06 0.00 0.13 0.00 0.00 57.88 58.07 2k5u h LEU 34 Cb 0.80 -0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.90 2k5u h LEU 34 CO 0.07 0.24 0.19 1.88 -0.13 0.00 0.00 178.44 180.68 2k5u h TYR 35 N 0.55 1.07 -0.34 1.25 0.05 -1.31 -2.00 116.97 116.24 2k5u h TYR 35 Ca 0.32 -0.11 0.10 0.00 0.05 0.00 0.00 58.73 59.09 2k5u h TYR 35 Cb 0.34 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2k5u h TYR 35 CO -0.12 0.87 0.30 -0.22 -1.05 0.00 0.00 178.16 177.94 2k5u h LYS 36 N 0.95 0.00 0.00 4.88 1.63 -1.03 0.33 116.57 123.34 2k5u h LYS 36 Ca 0.21 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 2k5u h LYS 36 Cb 0.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 2k5u h LYS 36 CO -0.00 0.00 -0.83 -0.07 -3.45 0.00 0.00 179.45 175.09 2k5u h LEU 37 N 0.00 0.00 0.00 5.20 3.38 -0.88 -3.48 115.31 119.53 2k5u h LEU 37 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k5u h LEU 37 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2k5u h LEU 37 CO -0.00 0.20 0.00 0.29 0.09 0.00 0.00 178.44 179.02 2k5u n LYS 38 N -2.88 0.00 0.00 1.13 5.02 0.12 -4.74 118.16 116.80 2k5u n LYS 38 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2k5u n LYS 38 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 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 4.32 -1.26 -4.38 117.00 115.33 2k5u n LEU 39 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2k5u n LEU 39 Cb 0.00 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2k5u n LEU 39 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2k5u n GLY 40 N -1.69 1.94 3.15 -0.72 0.00 -1.26 -4.95 105.19 101.66 2k5u n GLY 40 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 0.65 -0.03 1.61 2.56 -1.26 -5.17 118.70 117.06 2k5u s GLU 41 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 54.97 54.31 2k5u s GLU 41 Cb 0.00 0.26 -0.02 0.00 2.00 0.00 0.00 34.13 36.37 2k5u s GLU 41 CO 0.00 -0.18 -0.20 0.08 -0.56 0.00 0.00 175.26 174.40 2k5u s VAL 42 N -2.69 2.53 0.03 3.70 1.01 -1.26 -4.79 120.40 118.93 2k5u s VAL 42 Ca -0.04 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 2k5u s VAL 42 Cb -0.01 -1.94 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 2k5u s VAL 42 CO -0.05 0.59 0.67 -0.63 0.00 0.00 0.00 175.10 175.68 2k5u s ILE 43 N -0.66 4.80 -0.53 2.22 -1.09 -0.86 -4.97 121.20 120.12 2k5u s ILE 43 Ca 0.11 1.42 -0.20 0.00 -2.23 0.00 0.00 60.65 59.75 2k5u s ILE 43 Cb -0.10 -4.02 0.06 0.00 -1.58 0.00 0.00 42.46 36.82 2k5u s ILE 43 CO -0.00 0.41 0.69 0.28 -1.23 0.00 0.00 174.94 175.09 2k5u s THR 44 N -0.22 4.77 0.01 2.92 -1.32 -1.26 -2.78 115.64 117.76 2k5u s THR 44 Ca 0.34 -0.41 0.03 0.00 -1.21 0.00 0.00 61.69 60.44 2k5u s THR 44 Cb -0.19 -4.37 -0.03 0.00 -1.51 0.00 0.00 72.50 66.39 2k5u s THR 44 CO 0.20 -0.91 -0.07 0.42 -2.21 0.00 0.00 174.62 172.06 2k5u s THR 45 N 2.89 3.65 -0.34 5.08 -4.23 -0.81 -5.06 115.64 116.83 2k5u s THR 45 Ca 0.17 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 2k5u s THR 45 Cb -0.19 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.12 2k5u s THR 45 CO 0.12 0.39 0.09 -0.63 -0.54 0.00 0.00 174.62 174.05 2k5u s ILE 46 N -1.00 3.37 -0.00 2.99 1.01 -1.26 -1.89 121.20 124.42 2k5u s ILE 46 Ca 0.17 -1.46 -0.23 0.00 0.00 0.00 0.00 60.65 59.13 2k5u s ILE 46 Cb -0.11 -3.03 -0.18 0.00 0.01 0.00 0.00 42.46 39.15 2k5u s ILE 46 CO 0.08 -0.29 1.26 1.55 0.00 0.00 0.00 174.94 177.54 2k5u h PRO 47 N 8.10 0.18 -3.54 2.79 0.13 -1.91 -3.47 132.00 134.29 2k5u h PRO 47 Ca -0.20 -0.11 -0.17 0.00 -0.87 0.00 0.00 66.00 64.66 2k5u h PRO 47 Cb 1.07 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 31.97 2k5u h PRO 47 CO 0.61 0.66 -0.55 0.99 -0.23 0.00 0.00 178.00 179.48 2k5u s THR 48 N -4.10 0.05 0.17 1.56 2.01 -1.26 -5.00 115.64 109.07 2k5u s THR 48 Ca -0.15 -0.45 0.11 0.00 0.31 0.00 0.00 61.69 61.51 2k5u s THR 48 Cb 0.03 -0.32 0.18 0.00 0.01 0.00 0.00 72.50 72.40 2k5u s THR 48 CO 0.72 -0.25 0.64 -0.38 -0.69 0.00 0.00 174.62 174.66 2k5u n ILE 49 N 2.07 -0.13 -1.99 1.82 2.08 -1.26 0.12 119.36 122.07 2k5u n ILE 49 Ca -0.19 0.78 -0.20 0.00 0.56 0.00 0.00 62.75 63.70 2k5u n ILE 49 Cb 0.57 -1.27 0.04 0.00 -0.75 0.00 0.00 39.64 38.23 2k5u n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k5u n GLY 50 N -1.17 6.19 3.10 7.39 0.00 -1.26 -5.03 105.19 114.41 2k5u n GLY 50 Ca 0.16 -2.50 -0.09 0.00 0.00 0.00 0.00 46.02 43.59 2k5u n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5u s PHE 51 N -3.56 0.27 -0.04 1.61 0.40 0.33 -5.14 117.98 111.86 2k5u s PHE 51 Ca 0.49 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 2k5u s PHE 51 Cb 0.40 -0.20 0.01 0.00 0.51 0.00 0.00 43.02 43.75 2k5u s PHE 51 CO 0.03 -0.35 -0.06 1.21 0.70 0.00 0.00 175.22 176.74 2k5u s ASN 52 N -2.24 1.03 0.01 1.36 3.84 -1.26 -4.08 114.94 113.59 2k5u s ASN 52 Ca -0.03 -0.15 0.02 0.00 0.21 0.00 0.00 52.86 52.90 2k5u s ASN 52 Cb -0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 41.25 40.29 2k5u s ASN 52 CO -0.06 -0.00 -0.06 0.54 -2.79 0.00 0.00 177.10 174.74 2k5u s VAL 53 N 0.58 0.41 0.03 -5.21 0.11 -0.79 -4.78 120.40 110.75 2k5u s VAL 53 Ca -0.08 -0.54 0.07 0.00 -2.93 0.00 0.00 61.98 58.49 2k5u s VAL 53 Cb -0.12 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 2k5u s VAL 53 CO 0.01 -0.10 -0.17 -1.61 -3.33 0.00 0.00 175.10 169.89 2k5u s GLU 54 N -0.69 2.13 -0.06 1.54 2.02 -1.14 -1.91 118.70 120.58 2k5u s GLU 54 Ca -0.03 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.97 2k5u s GLU 54 Cb -0.05 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 31.99 2k5u s GLU 54 CO -0.00 0.55 0.15 -0.08 0.02 0.00 0.00 175.26 175.90 2k5u s THR 55 N -0.91 -0.03 0.04 3.63 -1.32 -1.12 -2.38 115.64 113.55 2k5u s THR 55 Ca 0.15 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.77 2k5u s THR 55 Cb -0.11 -0.23 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 2k5u s THR 55 CO 0.05 0.04 -0.11 0.68 -2.21 0.00 0.00 174.62 173.08 2k5u s VAL 56 N 0.75 0.82 -0.17 5.08 -7.23 0.07 -2.02 120.40 117.70 2k5u s VAL 56 Ca -0.06 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2k5u s VAL 56 Cb -0.07 -0.78 0.02 0.00 0.56 0.00 0.00 36.38 36.10 2k5u s VAL 56 CO -0.04 -0.13 -0.20 0.00 -0.31 0.00 0.00 175.10 174.42 2k5u s GLN 57 N -1.19 3.01 -0.41 4.82 -2.07 -1.26 -1.75 119.66 120.81 2k5u s GLN 57 Ca -0.02 -0.83 0.04 0.00 -1.82 0.00 0.00 55.36 52.72 2k5u s GLN 57 Cb -0.08 -2.54 0.11 0.00 -1.09 0.00 0.00 33.01 29.42 2k5u s GLN 57 CO 0.01 -0.14 0.14 -0.47 -1.32 0.00 0.00 175.29 173.51 2k5u s TYR 58 N 1.14 3.29 0.00 9.60 6.14 -0.81 -4.94 117.35 131.77 2k5u s TYR 58 Ca 0.01 -2.95 0.00 0.00 0.64 0.00 0.00 57.07 54.77 2k5u s TYR 58 Cb -0.14 -2.74 0.00 0.00 0.42 0.00 0.00 41.96 39.50 2k5u s TYR 58 CO -0.09 -0.86 0.00 1.17 0.64 0.00 0.00 175.55 176.41 2k5u n LYS 59 N 3.82 0.00 0.00 4.97 0.00 -1.26 -1.82 118.16 123.87 2k5u n LYS 59 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 2k5u n LYS 59 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 2k5u n LYS 59 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2k5u n ASN 60 N 1.06 0.00 -4.72 3.14 0.23 -1.26 -5.08 115.26 108.63 2k5u n ASN 60 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 2k5u n ASN 60 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 2k5u n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k5u s ILE 61 N -1.00 3.48 0.04 1.53 -1.09 -0.76 -4.81 121.20 118.60 2k5u s ILE 61 Ca 0.00 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 2k5u s ILE 61 Cb 0.00 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2k5u s ILE 61 CO 0.00 0.12 0.16 -0.55 -1.23 0.00 0.00 174.94 173.44 2k5u s SER 62 N 0.75 6.11 -0.05 3.58 0.15 -1.10 -1.92 113.70 121.23 2k5u s SER 62 Ca 0.59 0.21 -0.01 0.00 0.70 0.00 0.00 55.95 57.45 2k5u s SER 62 Cb -0.34 -1.83 0.03 0.00 -1.71 0.00 0.00 66.02 62.16 2k5u s SER 62 CO 0.33 0.20 0.01 -0.36 1.20 0.00 0.00 173.24 174.62 2k5u s PHE 63 N -1.41 0.47 -0.04 3.44 0.40 -0.72 -0.75 117.98 119.36 2k5u s PHE 63 Ca 0.31 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 2k5u s PHE 63 Cb -0.13 -0.63 0.02 0.00 0.51 0.00 0.00 43.02 42.79 2k5u s PHE 63 CO 0.23 -0.24 -0.04 0.99 0.70 0.00 0.00 175.22 176.86 2k5u s THR 64 N 1.70 0.49 0.08 0.64 2.01 -1.08 -0.75 115.64 118.73 2k5u s THR 64 Ca 0.00 -0.12 0.09 0.00 0.31 0.00 0.00 61.69 61.98 2k5u s THR 64 Cb -0.13 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2k5u s THR 64 CO -0.03 0.20 -0.24 0.54 -0.69 0.00 0.00 174.62 174.40 2k5u s VAL 65 N 0.78 2.42 -0.16 3.82 0.11 -1.00 -2.10 120.40 124.27 2k5u s VAL 65 Ca -0.10 -1.48 -0.30 0.00 -2.93 0.00 0.00 61.98 57.17 2k5u s VAL 65 Cb -0.13 -2.03 0.13 0.00 -1.53 0.00 0.00 36.38 32.82 2k5u s VAL 65 CO 0.00 0.24 1.02 -1.66 -3.33 0.00 0.00 175.10 171.36 2k5u s TRP 66 N -0.96 -0.35 1.15 1.54 -2.14 -1.17 -2.88 118.94 114.13 2k5u s TRP 66 Ca 0.14 0.59 -0.17 0.00 2.66 0.00 0.00 56.10 59.31 2k5u s TRP 66 Cb -0.10 0.45 0.19 0.00 -3.10 0.00 0.00 33.47 30.91 2k5u s TRP 66 CO 0.05 -0.33 0.33 -3.47 -2.66 0.00 0.00 176.95 170.88 2k5u n ASP 67 N 0.69 -2.86 -4.52 -2.66 2.03 -1.26 -3.76 116.55 104.21 2k5u n ASP 67 Ca -0.10 -0.35 -0.37 0.00 0.52 0.00 0.00 54.79 54.49 2k5u n ASP 67 Cb 0.58 -0.91 -0.12 0.00 -0.72 0.00 0.00 41.12 39.95 2k5u n ASP 67 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2k5u n VAL 68 N -4.71 -0.03 0.00 5.18 0.24 0.30 -4.37 118.33 114.94 2k5u n VAL 68 Ca 0.05 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2k5u n VAL 68 Cb 0.51 -1.22 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 2k5u n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k5u n GLY 69 N 6.28 -2.84 5.00 7.63 0.00 -1.26 -4.70 105.19 115.31 2k5u n GLY 69 Ca 0.57 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.51 0.56 0.00 -0.02 0.00 -1.26 -2.18 105.19 101.77 2k5u n GLY 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 -0.65 1.61 6.02 -1.26 -4.87 117.38 118.23 2k5u n GLN 71 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 2k5u n GLN 71 Cb 0.00 -0.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.94 2k5u n GLN 71 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2k5u n ASP 72 N -1.24 -6.84 -1.12 1.08 8.00 -0.93 -4.55 116.55 110.96 2k5u n ASP 72 Ca 0.00 0.69 0.02 0.00 0.71 0.00 0.00 54.79 56.21 2k5u n ASP 72 Cb 0.00 -1.96 0.13 0.00 -0.02 0.00 0.00 41.12 39.27 2k5u n ASP 72 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k5u n ARG 73 N -2.91 1.43 -4.41 -1.24 5.12 -1.26 -5.06 116.66 108.33 2k5u n ARG 73 Ca 0.00 -3.08 -0.27 0.00 -1.93 0.00 0.00 57.85 52.58 2k5u n ARG 73 Cb 0.29 -1.28 -0.09 0.00 -1.16 0.00 0.00 32.46 30.22 2k5u n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2k5u s ILE 74 N -2.59 2.13 0.00 0.55 -1.09 -1.26 -4.98 121.20 113.95 2k5u s ILE 74 Ca 0.38 -1.87 0.00 0.00 -2.23 0.00 0.00 60.65 56.93 2k5u s ILE 74 Cb 0.38 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.26 2k5u s ILE 74 CO -0.08 0.00 0.00 -1.14 -1.23 0.00 0.00 174.94 172.49 2k5u n ARG 75 N -1.09 0.00 -0.13 2.79 0.63 -1.26 -4.88 116.66 112.72 2k5u n ARG 75 Ca -0.03 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.67 2k5u n ARG 75 Cb 0.66 -0.43 -0.11 0.00 0.45 0.00 0.00 32.46 33.03 2k5u n ARG 75 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2k5u n SER 76 N -2.49 1.97 -0.04 6.15 3.41 -1.26 -3.99 113.62 117.38 2k5u n SER 76 Ca 0.00 0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.53 2k5u n SER 76 Cb 0.25 -0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 2k5u n SER 76 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k5u h LEU 77 N -0.35 -1.23 -0.82 1.04 7.12 -1.94 0.99 115.31 120.12 2k5u h LEU 77 Ca -0.62 0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.54 2k5u h LEU 77 Cb 1.80 0.49 -0.04 0.00 -0.53 0.00 0.00 40.66 42.38 2k5u h LEU 77 CO -0.21 -0.32 0.52 -0.50 -0.13 0.00 0.00 178.44 177.81 2k5u h TRP 78 N -0.36 1.04 -0.08 1.25 6.55 -1.90 -2.64 115.95 119.82 2k5u h TRP 78 Ca 0.03 0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.93 2k5u h TRP 78 Cb 0.45 -0.35 -0.05 0.00 -0.86 0.00 0.00 29.16 28.35 2k5u h TRP 78 CO -0.59 0.67 -0.23 -0.09 -1.05 0.00 0.00 178.44 177.15 2k5u h ARG 79 N 1.11 -0.31 0.40 0.49 9.65 -1.51 1.02 114.38 125.24 2k5u h ARG 79 Ca 0.30 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.19 2k5u h ARG 79 Cb -0.10 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 2k5u h ARG 79 CO -0.06 -0.21 -0.39 1.25 2.80 0.00 0.00 179.97 183.37 2k5u h HIS 80 N -0.32 -1.05 0.00 2.20 2.76 -0.66 -1.81 115.15 116.27 2k5u h HIS 80 Ca 0.09 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 2k5u h HIS 80 Cb 0.44 0.41 -0.00 0.00 1.55 0.00 0.00 27.41 29.81 2k5u h HIS 80 CO -0.31 -0.54 -0.09 1.88 -1.30 0.00 0.00 177.93 177.57 2k5u h TYR 81 N -0.80 0.00 0.03 5.26 -1.99 -1.27 -2.18 116.97 116.01 2k5u h TYR 81 Ca -0.03 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 2k5u h TYR 81 Cb 0.71 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.44 2k5u h TYR 81 CO -0.21 0.09 -0.02 1.88 -0.00 0.00 0.00 178.16 179.90 2k5u h TYR 82 N 0.00 -0.06 -0.58 4.88 0.05 0.20 0.87 116.97 122.33 2k5u h TYR 82 Ca -0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 2k5u h TYR 82 Cb 0.21 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.94 2k5u h TYR 82 CO 0.00 -0.03 0.35 0.00 -1.05 0.00 0.00 178.16 177.43 2k5u h ARG 83 N -0.05 0.68 -0.71 4.88 3.08 -1.51 -2.04 114.38 118.71 2k5u h ARG 83 Ca -0.00 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.10 2k5u h ARG 83 Cb 0.04 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 2k5u h ARG 83 CO -0.00 0.45 0.47 -0.97 -1.07 0.00 0.00 179.97 178.84 2k5u h ASN 84 N 0.70 0.54 -2.87 7.04 -0.73 -1.28 -3.41 115.58 115.56 2k5u h ASN 84 Ca 0.23 0.01 -0.53 0.00 1.87 0.00 0.00 56.30 57.89 2k5u h ASN 84 Cb 0.02 -0.10 0.03 0.00 0.27 0.00 0.00 38.32 38.54 2k5u h ASN 84 CO -0.10 0.32 0.84 -0.89 -0.37 0.00 0.00 177.43 177.23 2k5u s THR 85 N -5.56 2.98 0.00 -3.57 2.01 0.30 -4.63 115.64 107.17 2k5u s THR 85 Ca -0.09 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2k5u s THR 85 Cb 0.20 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.29 2k5u s THR 85 CO 0.77 0.04 0.96 -0.62 -0.69 0.00 0.00 174.62 175.07 2k5u n GLU 86 N 4.24 2.69 -3.76 4.92 -0.58 -0.40 -4.84 120.64 122.92 2k5u n GLU 86 Ca 0.13 -1.41 -0.12 0.00 -0.42 0.00 0.00 57.16 55.33 2k5u n GLU 86 Cb 0.40 -0.98 -0.12 0.00 -0.57 0.00 0.00 31.44 30.17 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 -0.91 -0.19 -0.19 0.62 0.00 0.54 -4.12 107.32 103.07 2k5u s GLY 87 Ca 0.00 0.89 -0.01 0.00 0.00 0.00 0.00 44.72 45.60 2k5u s GLY 87 CO 0.00 0.92 -0.01 0.14 0.00 0.00 0.00 173.10 174.15 2k5u s VAL 88 N 0.59 0.95 -0.12 1.40 1.01 -0.54 -1.44 120.40 122.26 2k5u s VAL 88 Ca -0.04 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2k5u s VAL 88 Cb -0.05 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.04 2k5u s VAL 88 CO -0.03 -0.08 -0.22 -0.63 0.00 0.00 0.00 175.10 174.13 2k5u s ILE 89 N 1.67 2.01 -0.09 2.22 1.09 0.85 -2.23 121.20 126.71 2k5u s ILE 89 Ca -0.02 -0.97 -0.01 0.00 -1.10 0.00 0.00 60.65 58.56 2k5u s ILE 89 Cb -0.17 -1.76 -0.03 0.00 -1.06 0.00 0.00 42.46 39.44 2k5u s ILE 89 CO -0.07 0.54 -0.05 0.12 -0.10 0.00 0.00 174.94 175.38 2k5u s PHE 90 N 0.63 2.99 -0.17 3.97 5.36 0.69 -2.25 117.98 129.20 2k5u s PHE 90 Ca -0.12 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 2k5u s PHE 90 Cb -0.16 -1.78 0.04 0.00 -0.34 0.00 0.00 43.02 40.77 2k5u s PHE 90 CO 0.03 0.25 -0.09 0.08 -1.46 0.00 0.00 175.22 174.03 2k5u s VAL 91 N -0.51 1.36 0.29 3.12 1.01 -1.08 -0.03 120.40 124.55 2k5u s VAL 91 Ca 0.08 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.44 2k5u s VAL 91 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2k5u s VAL 91 CO 0.02 0.24 0.09 0.54 0.00 0.00 0.00 175.10 175.99 2k5u s VAL 92 N 1.54 3.54 -0.23 2.92 0.11 -1.06 -4.45 120.40 122.77 2k5u s VAL 92 Ca 0.02 -1.73 -0.26 0.00 -2.93 0.00 0.00 61.98 57.08 2k5u s VAL 92 Cb -0.15 -3.01 -0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2k5u s VAL 92 CO -0.09 -0.31 0.89 -1.81 -3.33 0.00 0.00 175.10 170.45 2k5u s ASP 93 N -3.77 6.93 0.00 3.54 1.01 -1.26 -2.68 116.67 120.44 2k5u s ASP 93 Ca 0.34 1.15 0.26 0.00 0.71 0.00 0.00 52.55 55.01 2k5u s ASP 93 Cb -0.06 -2.47 1.33 0.00 1.01 0.00 0.00 42.92 42.73 2k5u s ASP 93 CO 0.22 -0.54 1.87 -0.24 0.21 0.00 0.00 175.17 176.70 2k5u n SER 94 N 5.95 0.00 -0.37 0.27 2.88 -0.71 -2.48 113.62 119.15 2k5u n SER 94 Ca 0.07 -0.17 0.04 0.00 -1.33 0.00 0.00 58.87 57.48 2k5u n SER 94 Cb 0.47 -0.25 0.07 0.00 -0.75 0.00 0.00 64.21 63.75 2k5u n SER 94 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k5u n ASN 95 N -1.25 2.08 -3.29 -3.46 4.05 -1.26 -1.42 115.26 110.70 2k5u n ASN 95 Ca 0.13 -1.62 -0.28 0.00 0.45 0.00 0.00 54.58 53.26 2k5u n ASN 95 Cb 0.19 -0.07 -0.06 0.00 1.23 0.00 0.00 39.78 41.07 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 0.34 4.20 0.07 1.20 9.92 -1.04 -4.85 116.55 126.39 2k5u n ASP 96 Ca 0.06 -3.53 0.02 0.00 -0.53 0.00 0.00 54.79 50.81 2k5u n ASP 96 Cb 0.27 -0.67 0.37 0.00 -0.64 0.00 0.00 41.12 40.45 2k5u n ASP 96 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2k5u h ARG 97 N 3.84 0.35 0.00 -1.24 0.11 -1.85 -1.42 114.38 114.18 2k5u h ARG 97 Ca 0.18 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2k5u h ARG 97 Cb 0.60 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2k5u h ARG 97 CO 0.86 0.42 0.00 0.77 0.10 0.00 0.00 179.97 182.12 2k5u h SER 98 N 0.34 0.00 -0.01 0.08 0.02 -1.96 -1.01 113.55 111.01 2k5u h SER 98 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 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 -0.03 0.54 -1.14 0.00 0.00 176.83 176.21 2k5u n ARG 99 N -2.75 0.49 -0.23 3.45 1.74 -0.58 -4.62 116.66 114.17 2k5u n ARG 99 Ca -0.02 -0.87 0.08 0.00 -0.77 0.00 0.00 57.85 56.27 2k5u n ARG 99 Cb 0.07 -1.12 0.35 0.00 -1.02 0.00 0.00 32.46 30.74 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 1.36 0.97 -0.30 0.55 6.09 -0.68 0.21 117.51 125.70 2k5u h ILE 100 Ca 0.00 -0.26 -0.09 0.00 -1.37 0.00 0.00 64.86 63.14 2k5u h ILE 100 Cb 0.30 0.13 -0.02 0.00 0.47 0.00 0.00 36.82 37.71 2k5u h ILE 100 CO 0.00 0.14 -0.17 1.23 -3.07 0.00 0.00 178.15 176.28 2k5u h GLY 101 N 0.77 0.59 1.17 8.18 0.00 -1.82 -1.13 103.07 110.83 2k5u h GLY 101 Ca 0.36 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 2k5u h GLY 101 CO -0.14 0.41 -0.41 0.83 0.00 0.00 0.00 176.54 177.23 2k5u h GLU 102 N 0.49 0.91 -0.43 4.80 3.07 -1.04 -2.00 114.58 120.38 2k5u h GLU 102 Ca 0.08 -0.49 -0.03 0.00 -0.50 0.00 0.00 59.36 58.42 2k5u h GLU 102 Cb 0.58 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.49 2k5u h GLU 102 CO 0.04 1.14 0.15 0.00 -1.40 0.00 0.00 179.01 178.93 2k5u h ALA 103 N 0.79 0.57 -0.39 3.43 0.00 -0.40 -2.30 119.26 120.95 2k5u h ALA 103 Ca 0.05 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2k5u h ALA 103 Cb 1.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2k5u h ALA 103 CO 0.10 0.20 -0.10 0.07 0.00 0.00 0.00 179.25 179.52 2k5u h ARG 104 N 0.56 0.68 -0.39 0.00 0.11 -1.16 -2.20 114.38 111.97 2k5u h ARG 104 Ca 0.14 -0.21 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 2k5u h ARG 104 Cb 0.24 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 2k5u h ARG 104 CO -0.01 0.77 0.14 0.93 0.10 0.00 0.00 179.97 181.90 2k5u h GLU 105 N 0.63 0.60 -0.59 0.08 5.08 -1.13 0.31 114.58 119.56 2k5u h GLU 105 Ca 0.11 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2k5u h GLU 105 Cb 0.54 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2k5u h GLU 105 CO 0.03 0.60 0.06 -0.24 -1.00 0.00 0.00 179.01 178.46 2k5u h VAL 106 N 0.49 1.26 -0.41 3.13 3.04 -1.31 -1.68 116.25 120.77 2k5u h VAL 106 Ca 0.13 -1.03 -0.12 0.00 -1.01 0.00 0.00 66.70 64.67 2k5u h VAL 106 Cb 0.23 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.23 2k5u h VAL 106 CO -0.01 0.38 -0.23 0.24 -1.01 0.00 0.00 177.57 176.94 2k5u h MET 107 N 0.92 0.87 -0.54 4.17 2.86 -1.14 -2.69 114.93 119.39 2k5u h MET 107 Ca 0.18 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2k5u h MET 107 Cb 0.45 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2k5u h MET 107 CO 0.02 1.04 0.35 0.37 1.06 0.00 0.00 176.91 179.75 2k5u h GLN 108 N 0.69 0.71 -0.91 1.72 5.75 -0.13 0.18 115.11 123.13 2k5u h GLN 108 Ca 0.09 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2k5u h GLN 108 Cb 0.80 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 2k5u h GLN 108 CO 0.07 0.48 0.57 0.00 -2.65 0.00 0.00 178.83 177.30 2k5u h ARG 109 N 0.73 1.22 -0.52 1.69 -0.00 -1.27 -2.18 114.38 114.05 2k5u h ARG 109 Ca 0.20 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.98 59.45 2k5u h ARG 109 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 29.97 29.62 2k5u h ARG 109 CO -0.04 0.83 -0.17 1.98 0.00 0.00 0.00 179.97 182.57 2k5u h MET 110 N 1.24 1.03 0.00 0.04 4.05 -1.04 -2.81 114.93 117.43 2k5u h MET 110 Ca 0.33 -0.41 -0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2k5u h MET 110 Cb -0.09 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2k5u h MET 110 CO -0.07 1.10 -0.02 1.25 0.23 0.00 0.00 176.91 179.40 2k5u h LEU 111 N 0.89 0.00 -0.95 3.39 6.46 -0.05 -1.33 115.31 123.72 2k5u h LEU 111 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2k5u h LEU 111 Cb 0.75 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2k5u h LEU 111 CO 0.06 0.02 0.00 -0.46 -0.62 0.00 0.00 178.44 177.44 2k5u n ASN 112 N -3.42 1.39 -4.59 1.25 6.94 -0.96 -4.77 115.26 111.10 2k5u n ASN 112 Ca -0.02 -2.01 -0.43 0.00 -0.02 0.00 0.00 54.58 52.10 2k5u n ASN 112 Cb 0.12 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 37.34 2k5u n ASN 112 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2k5u s GLU 113 N -1.66 3.61 0.35 -3.83 0.41 -0.50 -4.89 118.70 112.19 2k5u s GLU 113 Ca 0.17 0.56 0.09 0.00 -0.41 0.00 0.00 54.97 55.38 2k5u s GLU 113 Cb 0.09 -3.97 0.81 0.00 -1.78 0.00 0.00 34.13 29.27 2k5u s GLU 113 CO 0.11 -1.54 1.86 -0.44 -0.49 0.00 0.00 175.26 174.77 2k5u h ASP 114 N 9.76 0.67 0.66 -0.19 3.32 -1.89 0.45 116.42 129.19 2k5u h ASP 114 Ca -0.25 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.85 2k5u h ASP 114 Cb 1.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2k5u h ASP 114 CO 1.14 0.33 0.00 -0.62 -1.72 0.00 0.00 179.24 178.37 2k5u n GLU 115 N -4.57 0.08 -0.00 3.56 4.71 -1.26 -2.40 120.64 120.76 2k5u n GLU 115 Ca 0.18 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 2k5u n GLU 115 Cb 0.47 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 2k5u n GLU 115 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2k5u n LEU 116 N -1.80 1.78 0.25 -4.62 7.99 0.13 -4.71 117.00 116.02 2k5u n LEU 116 Ca 0.03 -1.77 0.18 0.00 -0.01 0.00 0.00 56.01 54.44 2k5u n LEU 116 Cb 0.21 -0.00 0.86 0.00 -0.11 0.00 0.00 43.42 44.38 2k5u n LEU 116 CO 0.17 0.44 1.15 -0.09 -1.51 0.00 0.00 177.39 177.56 2k5u h ARG 117 N 0.02 0.00 -0.27 3.23 2.43 -0.42 0.16 114.38 119.52 2k5u h ARG 117 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2k5u h ARG 117 Cb 0.39 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2k5u h ARG 117 CO 0.00 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.73 2k5u n ASN 118 N -3.33 3.76 -4.83 -3.80 0.23 -1.26 -5.01 115.26 101.02 2k5u n ASN 118 Ca 0.01 -3.09 -0.36 0.00 -0.53 0.00 0.00 54.58 50.61 2k5u n ASN 118 Cb 0.38 -0.56 -0.06 0.00 -2.08 0.00 0.00 39.78 37.46 2k5u n ASN 118 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k5u s ALA 119 N -2.87 3.51 -0.17 -2.53 0.00 0.56 -5.03 121.76 115.22 2k5u s ALA 119 Ca 0.43 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.11 2k5u s ALA 119 Cb 0.35 -2.66 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2k5u s ALA 119 CO 0.08 0.39 1.25 0.00 0.00 0.00 0.00 175.76 177.48 2k5u s ALA 120 N -1.46 3.66 -0.07 0.00 0.00 -1.26 -4.90 121.76 117.73 2k5u s ALA 120 Ca 0.39 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2k5u s ALA 120 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2k5u s ALA 120 CO 0.20 -1.17 -0.05 -1.58 0.00 0.00 0.00 175.76 173.16 2k5u s TRP 121 N 3.49 3.00 -0.01 0.00 0.51 -1.05 -1.46 118.94 123.42 2k5u s TRP 121 Ca 0.54 0.07 -0.01 0.00 -2.12 0.00 0.00 56.10 54.58 2k5u s TRP 121 Cb -0.21 -1.73 0.00 0.00 -0.81 0.00 0.00 33.47 30.73 2k5u s TRP 121 CO 0.14 0.38 0.02 -1.17 -0.51 0.00 0.00 176.95 175.81 2k5u s LEU 122 N -0.88 1.86 -0.38 2.99 1.98 -0.95 -2.69 118.68 120.62 2k5u s LEU 122 Ca 0.13 0.04 -0.06 0.00 -2.89 0.00 0.00 54.13 51.35 2k5u s LEU 122 Cb -0.11 0.07 0.07 0.00 0.66 0.00 0.00 46.19 46.88 2k5u s LEU 122 CO 0.02 -0.02 0.17 -0.69 -1.89 0.00 0.00 176.35 173.95 2k5u s VAL 123 N 0.08 3.72 -0.25 1.68 1.01 0.15 -0.22 120.40 126.58 2k5u s VAL 123 Ca -0.01 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.32 2k5u s VAL 123 Cb -0.01 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2k5u s VAL 123 CO -0.00 -0.41 0.46 0.12 0.00 0.00 0.00 175.10 175.26 2k5u s PHE 124 N 1.33 3.29 -0.19 5.22 5.36 0.96 -2.34 117.98 131.61 2k5u s PHE 124 Ca 0.02 0.59 -0.19 0.00 -0.96 0.00 0.00 56.93 56.39 2k5u s PHE 124 Cb -0.22 -2.64 -0.03 0.00 -0.34 0.00 0.00 43.02 39.79 2k5u s PHE 124 CO 0.00 -0.20 0.55 0.00 -1.46 0.00 0.00 175.22 174.12 2k5u s ALA 125 N 1.99 3.54 -0.26 11.12 0.00 -0.41 -2.56 121.76 135.17 2k5u s ALA 125 Ca 0.19 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2k5u s ALA 125 Cb -0.15 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.17 2k5u s ALA 125 CO 0.09 -0.45 -0.09 -0.80 0.00 0.00 0.00 175.76 174.52 2k5u s ASN 126 N 1.13 4.33 0.00 0.00 -0.87 -1.09 -1.90 114.94 116.54 2k5u s ASN 126 Ca 0.26 -1.40 0.00 0.00 -1.57 0.00 0.00 52.86 50.15 2k5u s ASN 126 Cb -0.16 -1.47 0.00 0.00 -0.02 0.00 0.00 41.25 39.61 2k5u s ASN 126 CO 0.10 -0.21 0.00 0.29 -2.57 0.00 0.00 177.10 174.71 2k5u n LYS 127 N 4.48 0.00 0.01 -0.60 5.02 -1.11 -1.74 118.16 124.22 2k5u n LYS 127 Ca -0.12 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.27 2k5u n LYS 127 Cb 0.42 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.88 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 0.02 0.17 1.97 1.13 0.04 -2.61 117.38 118.10 2k5u n GLN 128 Ca 0.00 0.16 0.06 0.00 -1.94 0.00 0.00 57.00 55.28 2k5u n GLN 128 Cb 0.00 -1.54 0.10 0.00 0.11 0.00 0.00 30.24 28.91 2k5u n GLN 128 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2k5u h ASP 129 N 0.00 0.00 -2.87 1.08 3.04 -1.95 -3.45 116.42 112.27 2k5u h ASP 129 Ca 0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2k5u h ASP 129 Cb 0.37 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.69 2k5u h ASP 129 CO 0.00 0.34 0.85 -0.22 -2.04 0.00 0.00 179.24 178.17 2k5u s LEU 130 N -6.41 4.36 0.49 0.15 1.98 -1.07 -4.89 118.68 113.29 2k5u s LEU 130 Ca 0.05 2.40 0.33 0.00 -2.89 0.00 0.00 54.13 54.01 2k5u s LEU 130 Cb 0.07 -3.58 1.70 0.00 0.66 0.00 0.00 46.19 45.04 2k5u s LEU 130 CO 0.72 -0.76 2.01 1.55 -1.89 0.00 0.00 176.35 177.98 2k5u h PRO 131 N 7.36 0.00 -0.15 0.98 0.13 -1.90 -1.92 132.00 136.51 2k5u h PRO 131 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2k5u h PRO 131 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2k5u h PRO 131 CO 0.90 0.00 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.76 2k5u n GLU 132 N -2.72 1.98 -3.28 0.86 0.28 -1.26 -5.03 120.64 111.47 2k5u n GLU 132 Ca -0.01 -2.84 -0.34 0.00 -0.16 0.00 0.00 57.16 53.80 2k5u n GLU 132 Cb 0.12 -1.69 -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 -2.96 3.50 0.46 -1.84 0.00 -0.72 -4.90 121.76 115.30 2k5u s ALA 133 Ca 0.38 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 2k5u s ALA 133 Cb 0.33 -2.60 -0.08 0.00 0.00 0.00 0.00 23.12 20.76 2k5u s ALA 133 CO 0.04 0.42 1.06 0.00 0.00 0.00 0.00 175.76 177.28 2k5u s MET 134 N -2.35 3.86 0.36 0.00 0.23 -0.51 -5.01 119.30 115.89 2k5u s MET 134 Ca 0.44 1.47 -0.11 0.00 -1.03 0.00 0.00 55.69 56.46 2k5u s MET 134 Cb -0.14 -2.24 -0.07 0.00 -1.53 0.00 0.00 34.83 30.85 2k5u s MET 134 CO 0.20 -0.40 0.72 -1.12 -2.03 0.00 0.00 175.02 172.39 2k5u s SER 135 N -1.78 6.56 0.40 -1.18 0.01 -1.26 -4.87 113.70 111.58 2k5u s SER 135 Ca 0.65 1.09 0.17 0.00 1.31 0.00 0.00 55.95 59.17 2k5u s SER 135 Cb -0.20 -2.30 1.05 0.00 0.21 0.00 0.00 66.02 64.78 2k5u s SER 135 CO 0.24 -0.32 1.81 0.00 0.41 0.00 0.00 173.24 175.39 2k5u h ALA 136 N 1.57 2.16 0.04 1.44 0.00 -1.96 0.36 119.26 122.87 2k5u h ALA 136 Ca -0.47 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k5u h ALA 136 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k5u h ALA 136 CO 0.65 -0.50 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 2k5u h ALA 137 N 1.61 -0.05 -0.14 0.00 0.00 -1.97 0.41 119.26 119.13 2k5u h ALA 137 Ca 0.53 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 2k5u h ALA 137 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k5u h ALA 137 CO -0.24 -0.42 -0.37 1.49 0.00 0.00 0.00 179.25 179.71 2k5u h GLU 138 N -0.27 0.29 -0.34 0.00 4.57 -1.57 -2.40 114.58 114.86 2k5u h GLU 138 Ca -0.01 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 57.93 2k5u h GLU 138 Cb 0.25 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2k5u h GLU 138 CO 0.01 0.62 -0.27 0.82 -1.18 0.00 0.00 179.01 179.01 2k5u h ILE 139 N 0.24 1.29 -0.56 2.32 2.04 -0.18 0.23 117.51 122.89 2k5u h ILE 139 Ca 0.03 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.50 2k5u h ILE 139 Cb 0.77 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2k5u h ILE 139 CO 0.06 0.47 0.33 0.74 0.00 0.00 0.00 178.15 179.75 2k5u h THR 140 N 0.57 1.04 -0.02 -0.27 2.02 0.05 0.22 112.91 116.52 2k5u h THR 140 Ca 0.06 -0.22 -0.23 0.00 0.77 0.00 0.00 66.41 66.79 2k5u h THR 140 Cb 0.83 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2k5u h THR 140 CO 0.07 0.12 -0.93 -0.08 0.37 0.00 0.00 175.52 175.07 2k5u h GLU 141 N 0.65 0.52 -0.42 6.66 4.22 -1.36 0.42 114.58 125.27 2k5u h GLU 141 Ca 0.23 -0.53 -0.11 0.00 0.08 0.00 0.00 59.36 59.02 2k5u h GLU 141 Cb 0.04 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k5u h GLU 141 CO -0.11 1.16 -0.18 -0.22 -2.18 0.00 0.00 179.01 177.48 2k5u h LYS 142 N 0.31 0.87 -0.10 1.92 1.63 -0.17 -2.87 116.57 118.17 2k5u h LYS 142 Ca -0.08 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2k5u h LYS 142 Cb 1.56 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 2k5u h LYS 142 CO 0.17 1.01 0.00 1.47 -3.45 0.00 0.00 179.45 178.65 2k5u n LEU 143 N -4.22 0.58 -0.76 5.20 -0.00 0.75 -4.86 117.00 113.69 2k5u n LEU 143 Ca -0.01 -0.28 -0.10 0.00 -0.00 0.00 0.00 56.01 55.62 2k5u n LEU 143 Cb 0.42 -0.06 -0.04 0.00 -0.00 0.00 0.00 43.42 43.74 2k5u n LEU 143 CO 0.45 0.14 -0.09 0.61 -0.00 0.00 0.00 177.39 178.49 2k5u n GLY 144 N 0.74 1.11 0.34 1.47 0.00 -1.08 -4.77 105.19 102.99 2k5u n GLY 144 Ca 0.07 -0.58 0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 0.99 6.46 -0.38 0.57 115.31 122.45 2k5u h LEU 145 Ca -0.20 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.49 2k5u h LEU 145 Cb 0.65 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2k5u h LEU 145 CO 0.29 0.00 -0.31 0.45 -0.62 0.00 0.00 178.44 178.25 2k5u h HIS 146 N 0.00 0.00 0.00 1.25 3.86 -1.85 -3.01 115.15 115.41 2k5u h HIS 146 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2k5u h HIS 146 Cb 0.61 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.08 2k5u h HIS 146 CO 0.00 0.31 0.00 0.45 0.86 0.00 0.00 177.93 179.55 2k5u n SER 147 N -3.28 0.42 -4.76 2.45 2.88 0.20 -4.70 113.62 106.83 2k5u n SER 147 Ca 0.01 0.58 -0.36 0.00 -1.33 0.00 0.00 58.87 57.78 2k5u n SER 147 Cb 0.57 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 63.28 2k5u n SER 147 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2k5u s ILE 148 N -3.15 5.39 -0.41 2.46 2.07 -1.14 -5.00 121.20 121.41 2k5u s ILE 148 Ca 0.07 0.31 -0.39 0.00 -1.41 0.00 0.00 60.65 59.23 2k5u s ILE 148 Cb 0.11 -3.51 -0.15 0.00 0.13 0.00 0.00 42.46 39.04 2k5u s ILE 148 CO 0.40 0.46 2.15 0.54 -1.91 0.00 0.00 174.94 176.59 2k5u n ARG 149 N 3.19 0.60 -1.52 3.50 3.00 -1.26 -4.77 116.66 119.39 2k5u n ARG 149 Ca -0.16 0.16 -0.47 0.00 -0.01 0.00 0.00 57.85 57.38 2k5u n ARG 149 Cb 0.53 -2.02 -0.03 0.00 0.00 0.00 0.00 32.46 30.93 2k5u n ARG 149 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2k5u n ASN 150 N 8.67 0.43 0.00 0.55 5.15 -1.26 -3.83 115.26 124.96 2k5u n ASN 150 Ca 0.47 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.60 2k5u n ASN 150 Cb 0.11 -1.15 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 2k5u n ASN 150 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2k5u n ARG 151 N 1.06 0.00 0.13 1.20 1.85 -1.26 -5.03 116.66 114.61 2k5u n ARG 151 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.94 2k5u n ARG 151 Cb 0.27 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.66 2k5u n ARG 151 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2k5u h PRO 152 N 0.00 -0.31 -6.76 2.89 0.11 -1.92 -3.46 132.00 122.55 2k5u h PRO 152 Ca 0.00 0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.45 2k5u h PRO 152 Cb 0.00 0.07 -0.22 0.00 0.11 0.00 0.00 31.00 30.96 2k5u h PRO 152 CO 0.00 -0.21 -0.84 1.67 -0.21 0.00 0.00 178.00 178.42 2k5u s TRP 153 N -3.57 2.43 0.24 0.65 -2.14 -1.24 -2.51 118.94 112.79 2k5u s TRP 153 Ca -0.05 -0.33 0.07 0.00 2.66 0.00 0.00 56.10 58.46 2k5u s TRP 153 Cb 0.00 -1.34 -0.04 0.00 -3.10 0.00 0.00 33.47 28.99 2k5u s TRP 153 CO 0.14 0.30 0.14 0.12 -2.66 0.00 0.00 176.95 174.99 2k5u s PHE 154 N -1.02 3.02 -0.04 1.66 2.19 -1.09 -4.90 117.98 117.79 2k5u s PHE 154 Ca 0.15 -0.12 0.06 0.00 0.33 0.00 0.00 56.93 57.35 2k5u s PHE 154 Cb -0.10 -1.37 -0.02 0.00 -1.31 0.00 0.00 43.02 40.22 2k5u s PHE 154 CO 0.06 0.54 -0.22 -1.50 1.83 0.00 0.00 175.22 175.93 2k5u s ILE 155 N -2.10 2.36 -0.14 3.12 1.10 -1.26 0.33 121.20 124.60 2k5u s ILE 155 Ca 0.32 -0.98 -0.07 0.00 -0.51 0.00 0.00 60.65 59.41 2k5u s ILE 155 Cb -0.08 -1.87 0.05 0.00 0.15 0.00 0.00 42.46 40.72 2k5u s ILE 155 CO 0.23 0.58 0.32 -1.58 -2.11 0.00 0.00 174.94 172.38 2k5u s GLN 156 N -0.46 0.29 0.04 3.50 2.00 -0.99 -5.00 119.66 119.05 2k5u s GLN 156 Ca 0.05 0.66 -0.20 0.00 -2.00 0.00 0.00 55.36 53.87 2k5u s GLN 156 Cb -0.12 -0.07 -0.06 0.00 0.80 0.00 0.00 33.01 33.57 2k5u s GLN 156 CO 0.01 -0.17 0.60 0.00 -0.50 0.00 0.00 175.29 175.23 2k5u s ALA 157 N 1.40 3.53 0.30 1.58 0.00 -1.26 -1.29 121.76 126.02 2k5u s ALA 157 Ca -0.09 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 2k5u s ALA 157 Cb -0.10 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.31 2k5u s ALA 157 CO -0.10 0.28 0.48 -0.08 0.00 0.00 0.00 175.76 176.34 2k5u s THR 158 N -0.68 0.00 -0.28 0.00 -1.32 -0.80 -4.80 115.64 107.76 2k5u s THR 158 Ca 0.31 -1.51 0.01 0.00 -1.21 0.00 0.00 61.69 59.29 2k5u s THR 158 Cb -0.19 -2.49 0.08 0.00 -1.51 0.00 0.00 72.50 68.38 2k5u s THR 158 CO 0.19 0.00 0.01 0.00 -2.21 0.00 0.00 174.62 172.61 2k5u h ALA 160 N 7.92 1.53 0.16 0.00 0.00 -1.89 -0.59 119.26 126.39 2k5u h ALA 160 Ca -0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k5u h ALA 160 Cb 1.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k5u h ALA 160 CO 0.45 0.34 -0.08 1.79 0.00 0.00 0.00 179.25 181.75 2k5u h THR 161 N 0.36 0.91 -0.00 0.00 1.35 -1.95 -3.27 112.91 110.31 2k5u h THR 161 Ca 0.08 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2k5u h THR 161 Cb 0.26 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 2k5u h THR 161 CO 0.01 0.22 -0.06 -1.54 -0.25 0.00 0.00 175.52 173.90 2k5u n SER 162 N -4.94 0.09 0.00 5.36 3.41 -1.23 -4.89 113.62 111.42 2k5u n SER 162 Ca -0.08 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2k5u n SER 162 Cb 0.27 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2k5u n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k5u n GLY 163 N 1.42 0.60 3.64 5.00 0.00 -0.25 -4.96 105.19 110.63 2k5u n GLY 163 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2k5u n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5u s GLU 164 N -0.38 3.93 0.00 1.61 0.41 -1.06 -2.57 118.70 120.63 2k5u s GLU 164 Ca 0.00 1.50 0.00 0.00 -0.41 0.00 0.00 54.97 56.06 2k5u s GLU 164 Cb 0.00 -3.92 0.00 0.00 -1.78 0.00 0.00 34.13 28.43 2k5u s GLU 164 CO 0.00 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.07 2k5u n GLY 165 N 4.33 3.34 0.20 -1.39 0.00 -1.26 0.10 105.19 110.51 2k5u n GLY 165 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.63 -0.06 0.99 3.38 -1.76 -1.92 115.31 116.57 2k5u h LEU 166 Ca 0.00 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2k5u h LEU 166 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2k5u h LEU 166 CO 0.00 0.85 0.00 1.88 0.09 0.00 0.00 178.44 181.26 2k5u h TYR 167 N 0.40 0.10 0.00 1.13 -1.99 -1.92 -2.47 116.97 112.22 2k5u h TYR 167 Ca 0.08 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 2k5u h TYR 167 Cb 0.58 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 2k5u h TYR 167 CO 0.05 0.36 -0.10 1.05 -0.00 0.00 0.00 178.16 179.52 2k5u h GLU 168 N -0.18 0.00 0.01 4.88 4.11 -1.91 -0.79 114.58 120.70 2k5u h GLU 168 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 2k5u h GLU 168 Cb 0.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k5u h GLU 168 CO 0.00 0.10 -0.48 0.78 0.07 0.00 0.00 179.01 179.49 2k5u h GLY 169 N 0.52 0.34 0.66 1.06 0.00 -1.19 -2.57 103.07 101.88 2k5u h GLY 169 Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 2k5u h GLY 169 CO 0.01 0.55 -0.09 0.17 0.00 0.00 0.00 176.54 177.18 2k5u h LEU 170 N -0.29 0.24 -0.58 3.11 8.10 -1.28 -1.44 115.31 123.16 2k5u h LEU 170 Ca -0.06 -0.48 0.10 0.00 0.11 0.00 0.00 57.88 57.54 2k5u h LEU 170 Cb 1.22 -0.07 -0.07 0.00 -0.44 0.00 0.00 40.66 41.30 2k5u h LEU 170 CO 0.09 0.67 0.17 1.05 -4.11 0.00 0.00 178.44 176.32 2k5u h GLU 171 N -0.19 0.32 -0.39 0.17 4.11 -1.27 0.19 114.58 117.52 2k5u h GLU 171 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2k5u h GLU 171 Cb 0.61 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2k5u h GLU 171 CO 0.02 0.21 0.21 2.35 0.07 0.00 0.00 179.01 181.87 2k5u h TRP 172 N 0.33 0.54 -0.68 2.06 2.91 -1.41 -2.37 115.95 117.33 2k5u h TRP 172 Ca 0.30 -0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.32 2k5u h TRP 172 Cb 0.39 -0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 2k5u h TRP 172 CO -0.20 0.43 0.45 -0.07 -1.03 0.00 0.00 178.44 178.02 2k5u h LEU 173 N 0.50 0.74 -0.73 0.65 4.07 -0.09 -2.14 115.31 118.30 2k5u h LEU 173 Ca 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2k5u h LEU 173 Cb 0.07 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.60 2k5u h LEU 173 CO -0.02 0.52 0.47 0.77 -1.08 0.00 0.00 178.44 179.10 2k5u h SER 174 N 0.86 0.86 -0.38 -0.43 4.64 -0.15 -1.12 113.55 117.83 2k5u h SER 174 Ca 0.26 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2k5u h SER 174 Cb -0.01 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2k5u h SER 174 CO -0.07 0.64 0.24 0.78 -0.87 0.00 0.00 176.83 177.56 2k5u h ASN 175 N 1.00 0.42 -0.15 4.97 2.35 -1.13 0.66 115.58 123.69 2k5u h ASN 175 Ca 0.27 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 2k5u h ASN 175 Cb -0.08 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2k5u h ASN 175 CO -0.05 0.30 -0.03 0.77 -1.65 0.00 0.00 177.43 176.77 2k5u h SER 176 N 0.50 0.38 1.49 5.81 4.64 -1.29 0.42 113.55 125.50 2k5u h SER 176 Ca 0.14 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 2k5u h SER 176 Cb -0.05 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2k5u h SER 176 CO -0.04 0.46 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.80 2k5u h LEU 177 N 0.39 0.00 0.00 5.97 3.38 -0.44 -3.39 115.31 121.21 2k5u h LEU 177 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k5u h LEU 177 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k5u h LEU 177 CO 0.01 0.49 -0.00 0.50 0.09 0.00 0.00 178.44 179.52 2k5u h LYS 178 N 0.00 0.00 -6.07 1.13 3.11 0.11 -3.48 116.57 111.37 2k5u h LYS 178 Ca -0.01 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.23 2k5u h LYS 178 Cb 1.38 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.56 2k5u h LYS 178 CO 0.06 0.00 -0.26 1.21 -2.81 0.00 0.00 179.45 177.66 2k5u s ASN 179 N -3.44 6.65 -0.46 4.20 2.47 0.14 -4.94 114.94 119.56 2k5u s ASN 179 Ca -0.00 0.79 -0.22 0.00 0.42 0.00 0.00 52.86 53.85 2k5u s ASN 179 Cb 0.00 -2.18 0.03 0.00 -1.45 0.00 0.00 41.25 37.65 2k5u s ASN 179 CO 0.00 0.20 0.74 -0.55 -3.72 0.00 0.00 177.10 173.77 2k5u s SER 180 N -1.65 6.36 0.00 -4.21 0.15 -1.26 -4.26 113.70 108.84 2k5u s SER 180 Ca 0.31 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2k5u s SER 180 Cb -0.14 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2k5u s SER 180 CO 0.17 -0.89 0.00 0.35 1.20 0.00 0.00 173.24 174.07