#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 -5.88 -4.63 0.99 7.94 -1.26 -4.95 117.00 109.21 2k5u n LEU 3 Ca 0.00 2.25 -0.39 0.00 -1.11 0.00 0.00 56.01 56.76 2k5u n LEU 3 Cb 0.00 -3.08 -0.08 0.00 0.53 0.00 0.00 43.42 40.79 2k5u n LEU 3 CO 0.00 -3.42 0.09 0.12 -1.11 0.00 0.00 177.39 173.06 2k5u s PHE 4 N -0.59 3.29 0.07 1.96 2.19 -1.26 -4.76 117.98 118.88 2k5u s PHE 4 Ca -0.20 0.49 0.00 0.00 0.33 0.00 0.00 56.93 57.55 2k5u s PHE 4 Cb 0.01 -2.57 0.00 0.00 -1.31 0.00 0.00 43.02 39.16 2k5u s PHE 4 CO 0.53 -0.16 0.00 0.00 1.83 0.00 0.00 175.22 177.42 2k5u n ALA 5 N 5.08 0.00 -3.15 11.12 0.00 -1.26 -5.11 120.51 127.19 2k5u n ALA 5 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2k5u n ALA 5 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 2k5u n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2k5u s SER 6 N -1.25 -0.51 -0.13 0.00 1.04 -1.26 -5.17 113.70 106.42 2k5u s SER 6 Ca 0.00 0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 2k5u s SER 6 Cb 0.00 1.33 0.04 0.00 0.10 0.00 0.00 66.02 67.49 2k5u s SER 6 CO 0.00 -0.09 0.33 -0.54 0.98 0.00 0.00 173.24 173.92 2k5u s LYS 7 N 2.95 0.36 -0.08 4.02 -0.14 -1.26 -5.04 119.74 120.55 2k5u s LYS 7 Ca 0.25 0.52 0.08 0.00 -1.36 0.00 0.00 55.97 55.46 2k5u s LYS 7 Cb -0.03 0.11 0.17 0.00 -1.68 0.00 0.00 37.83 36.40 2k5u s LYS 7 CO -0.23 -0.08 1.14 1.47 -0.76 0.00 0.00 175.35 176.89 2k5u n LEU 8 N 3.32 -0.63 -0.02 3.17 -0.00 -1.26 -5.00 117.00 116.58 2k5u n LEU 8 Ca -0.16 -2.28 -0.01 0.00 -0.00 0.00 0.00 56.01 53.55 2k5u n LEU 8 Cb 0.57 0.04 -0.00 0.00 -0.00 0.00 0.00 43.42 44.02 2k5u n LEU 8 CO 0.14 1.35 -0.08 -0.26 -0.00 0.00 0.00 177.39 178.54 2k5u h PHE 9 N 0.49 0.00 -1.53 1.47 -1.00 -2.07 -3.50 116.94 110.79 2k5u h PHE 9 Ca -0.47 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.39 2k5u h PHE 9 Cb 1.46 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 40.76 2k5u h PHE 9 CO -0.07 0.00 0.52 -1.54 -1.61 0.00 0.00 178.31 175.61 2k5u s SER 10 N -4.07 -0.39 0.17 2.17 1.04 -1.26 -5.09 113.70 106.28 2k5u s SER 10 Ca -0.04 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2k5u s SER 10 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2k5u s SER 10 CO 0.05 -0.17 0.00 0.59 0.98 0.00 0.00 173.24 174.69 2k5u n ASN 11 N 1.82 -1.52 -3.34 7.02 3.02 -1.26 -5.09 115.26 115.91 2k5u n ASN 11 Ca -0.12 0.33 -0.15 0.00 -0.03 0.00 0.00 54.58 54.62 2k5u n ASN 11 Cb 0.56 1.71 -0.07 0.00 -0.61 0.00 0.00 39.78 41.37 2k5u n ASN 11 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2k5u s LEU 12 N -5.71 -0.28 0.00 3.41 2.96 -1.26 -4.96 118.68 112.84 2k5u s LEU 12 Ca 0.00 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 52.59 2k5u s LEU 12 Cb 0.00 0.74 0.00 0.00 0.50 0.00 0.00 46.19 47.43 2k5u s LEU 12 CO 0.00 -0.27 0.15 0.33 -1.32 0.00 0.00 176.35 175.24 2k5u n PHE 13 N 4.46 0.00 -1.46 5.38 7.35 -1.26 -4.90 117.46 127.03 2k5u n PHE 13 Ca 0.09 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.96 2k5u n PHE 13 Cb 0.47 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.21 2k5u n PHE 13 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k5u n GLY 14 N 0.59 -3.21 0.00 7.13 0.00 -1.26 -4.85 105.19 103.59 2k5u n GLY 14 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2k5u n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k5u n ASN 15 N -4.37 0.00 -2.26 1.61 3.02 -1.26 -4.96 115.26 107.04 2k5u n ASN 15 Ca -0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.26 2k5u n ASN 15 Cb 0.69 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.75 2k5u n ASN 15 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2k5u n LYS 16 N -0.59 2.21 -1.86 3.52 0.00 -1.26 -4.87 118.16 115.30 2k5u n LYS 16 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 58.31 56.59 2k5u n LYS 16 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 32.96 2k5u n LYS 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k5u n GLU 17 N 1.61 -4.34 -3.67 1.64 1.02 -1.26 -5.06 120.64 110.59 2k5u n GLU 17 Ca 0.46 3.20 -0.17 0.00 -0.02 0.00 0.00 57.16 60.63 2k5u n GLU 17 Cb 0.72 -3.56 -0.15 0.00 -0.02 0.00 0.00 31.44 28.42 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 -1.05 0.04 -0.29 3.49 -1.94 -1.26 -4.81 119.30 113.49 2k5u s MET 18 Ca 0.00 0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 54.54 2k5u s MET 18 Cb 0.00 -0.26 0.13 0.00 2.01 0.00 0.00 34.83 36.71 2k5u s MET 18 CO 0.00 -0.31 0.27 1.03 -0.01 0.00 0.00 175.02 176.00 2k5u s ARG 19 N 2.29 0.30 0.16 2.03 3.00 -1.26 -2.86 118.95 122.61 2k5u s ARG 19 Ca 0.03 -0.17 -0.30 0.00 0.00 0.00 0.00 55.73 55.29 2k5u s ARG 19 Cb -0.12 -0.75 -0.07 0.00 0.00 0.00 0.00 34.95 34.01 2k5u s ARG 19 CO -0.06 -1.01 0.94 0.42 0.00 0.00 0.00 175.30 175.60 2k5u s ILE 20 N 2.32 4.34 -0.10 1.52 -1.09 -0.39 0.20 121.20 128.01 2k5u s ILE 20 Ca 0.09 2.05 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2k5u s ILE 20 Cb -0.14 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.40 2k5u s ILE 20 CO -0.32 0.39 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.45 2k5u s LEU 21 N -0.47 2.90 -0.46 2.97 0.20 -0.94 -2.56 118.68 120.31 2k5u s LEU 21 Ca 0.44 -0.19 -0.22 0.00 0.69 0.00 0.00 54.13 54.85 2k5u s LEU 21 Cb -0.24 -1.64 0.03 0.00 -0.43 0.00 0.00 46.19 43.91 2k5u s LEU 21 CO 0.30 0.26 0.71 -0.04 -0.29 0.00 0.00 176.35 177.29 2k5u s MET 22 N -0.18 3.30 0.01 1.98 -1.94 0.12 -1.75 119.30 120.83 2k5u s MET 22 Ca 0.01 -0.36 0.06 0.00 -1.71 0.00 0.00 55.69 53.69 2k5u s MET 22 Cb -0.13 -3.98 -0.02 0.00 2.01 0.00 0.00 34.83 32.71 2k5u s MET 22 CO 0.03 -1.13 -0.18 0.08 -0.01 0.00 0.00 175.02 173.81 2k5u s VAL 23 N 3.05 1.42 -5.00 -6.03 1.01 -1.10 -0.35 120.40 113.40 2k5u s VAL 23 Ca 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2k5u s VAL 23 Cb -0.14 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2k5u s VAL 23 CO 0.19 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2k5u n GLY 24 N 2.30 -0.94 3.76 4.51 0.00 -1.26 -2.58 105.19 110.98 2k5u n GLY 24 Ca -0.16 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 4.44 0.74 0.99 1.43 -1.25 -0.70 118.68 124.33 2k5u s LEU 25 Ca 0.00 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 55.51 2k5u s LEU 25 Cb 0.00 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.63 2k5u s LEU 25 CO 0.00 -0.48 1.24 -1.81 0.23 0.00 0.00 176.35 175.52 2k5u s ASP 26 N -0.31 4.03 0.00 2.29 1.01 -1.26 -2.15 116.67 120.29 2k5u s ASP 26 Ca 0.51 2.46 0.00 0.00 0.71 0.00 0.00 52.55 56.22 2k5u s ASP 26 Cb -0.38 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 40.95 2k5u s ASP 26 CO 0.47 -2.38 0.00 0.61 0.21 0.00 0.00 175.17 174.08 2k5u n GLY 27 N 0.62 0.04 0.26 0.21 0.00 -1.26 -4.81 105.19 100.25 2k5u n GLY 27 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 1.53 0.00 4.61 0.00 -1.78 -3.44 119.26 120.18 2k5u h ALA 28 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k5u h ALA 28 Cb 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2k5u h ALA 28 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2k5u n GLY 29 N -1.00 0.00 0.17 0.00 0.00 -1.26 -4.59 105.19 98.50 2k5u n GLY 29 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.08 1.61 6.56 -1.92 -2.19 116.57 120.71 2k5u h LYS 30 Ca 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.42 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 0.46 -0.73 1.15 -2.06 0.00 0.00 179.45 178.27 2k5u h THR 31 N 0.00 1.48 0.02 -0.16 2.02 -1.96 -1.86 112.91 112.45 2k5u h THR 31 Ca -0.00 -2.35 -0.00 0.00 0.77 0.00 0.00 66.41 64.82 2k5u h THR 31 Cb 1.06 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 70.43 2k5u h THR 31 CO 0.06 0.67 -0.01 0.74 0.37 0.00 0.00 175.52 177.35 2k5u h THR 32 N -0.26 1.20 -0.37 3.16 2.02 -1.97 -2.92 112.91 113.77 2k5u h THR 32 Ca -0.12 -0.67 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 2k5u h THR 32 Cb 1.51 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 2k5u h THR 32 CO 0.14 0.17 -0.11 1.62 0.37 0.00 0.00 175.52 177.72 2k5u h VAL 33 N -0.31 1.24 -0.25 3.16 3.04 -1.53 -2.86 116.25 118.74 2k5u h VAL 33 Ca -0.00 -1.08 0.05 0.00 -1.01 0.00 0.00 66.70 64.66 2k5u h VAL 33 Cb 0.30 1.08 -0.05 0.00 -2.01 0.00 0.00 31.29 30.61 2k5u h VAL 33 CO 0.00 0.36 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.77 2k5u h LEU 34 N 0.58 -0.31 -1.00 3.16 3.38 -1.26 -1.59 115.31 118.27 2k5u h LEU 34 Ca 0.11 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2k5u h LEU 34 Cb 0.53 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2k5u h LEU 34 CO 0.03 -0.12 0.31 0.22 0.09 0.00 0.00 178.44 178.98 2k5u h TYR 35 N -0.04 1.03 -0.16 1.13 3.20 -1.41 -1.85 116.97 118.87 2k5u h TYR 35 Ca 0.13 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2k5u h TYR 35 Cb 0.23 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2k5u h TYR 35 CO -0.27 0.77 0.11 -0.22 -1.64 0.00 0.00 178.16 176.91 2k5u h LYS 36 N 1.02 0.07 0.06 1.82 1.63 -1.09 -1.39 116.57 118.69 2k5u h LYS 36 Ca 0.24 -0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.77 2k5u h LYS 36 Cb 0.15 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2k5u h LYS 36 CO -0.03 0.04 -1.32 -0.07 -3.45 0.00 0.00 179.45 174.63 2k5u h LEU 37 N 0.07 0.21 0.00 5.20 3.38 -0.64 -3.49 115.31 120.04 2k5u h LEU 37 Ca 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k5u h LEU 37 Cb 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2k5u h LEU 37 CO -0.01 1.22 0.00 0.29 0.09 0.00 0.00 178.44 180.03 2k5u n LYS 38 N -3.38 0.00 -2.03 1.13 4.76 -0.52 -5.01 118.16 113.10 2k5u n LYS 38 Ca -0.09 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.31 2k5u n LYS 38 Cb 1.01 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 34.21 2k5u n LYS 38 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k5u n LEU 39 N 0.00 -3.18 0.00 -0.35 4.77 -1.19 -4.68 117.00 112.37 2k5u n LEU 39 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2k5u n LEU 39 Cb 0.00 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 2k5u n LEU 39 CO 0.00 -0.02 0.03 0.61 -1.33 0.00 0.00 177.39 176.67 2k5u n GLY 40 N -1.39 1.22 2.82 -0.72 0.00 -1.26 -4.96 105.19 100.90 2k5u n GLY 40 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2k5u n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5u s GLU 41 N -0.10 0.17 -0.11 1.61 2.02 -1.26 -5.15 118.70 115.88 2k5u s GLU 41 Ca 0.00 0.38 -0.06 0.00 0.02 0.00 0.00 54.97 55.31 2k5u s GLU 41 Cb 0.00 -0.81 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 2k5u s GLU 41 CO 0.00 -0.53 0.11 0.08 0.02 0.00 0.00 175.26 174.94 2k5u s VAL 42 N 2.35 5.24 0.05 2.63 1.01 -1.26 -4.88 120.40 125.54 2k5u s VAL 42 Ca 0.05 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 2k5u s VAL 42 Cb -0.14 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 2k5u s VAL 42 CO -0.11 0.62 0.69 -0.63 0.00 0.00 0.00 175.10 175.67 2k5u s ILE 43 N -1.00 4.75 -0.49 2.22 -1.09 -0.81 -4.91 121.20 119.87 2k5u s ILE 43 Ca 0.15 1.48 -0.17 0.00 -2.23 0.00 0.00 60.65 59.87 2k5u s ILE 43 Cb -0.12 -4.04 0.07 0.00 -1.58 0.00 0.00 42.46 36.79 2k5u s ILE 43 CO 0.04 0.42 0.49 -0.89 -1.23 0.00 0.00 174.94 173.77 2k5u s THR 44 N -0.32 5.09 -0.17 2.92 2.01 -1.26 -2.52 115.64 121.38 2k5u s THR 44 Ca 0.35 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 2k5u s THR 44 Cb -0.20 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2k5u s THR 44 CO 0.21 -0.68 0.01 -0.89 -0.69 0.00 0.00 174.62 172.58 2k5u s THR 45 N 2.04 4.30 -0.80 -0.82 2.01 -1.03 -5.05 115.64 116.30 2k5u s THR 45 Ca 0.08 -0.21 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 2k5u s THR 45 Cb -0.22 -2.92 0.21 0.00 0.01 0.00 0.00 72.50 69.58 2k5u s THR 45 CO 0.09 0.47 0.73 -0.63 -0.69 0.00 0.00 174.62 174.58 2k5u s ILE 46 N 0.47 5.40 0.14 1.82 -1.09 -1.26 -2.67 121.20 124.01 2k5u s ILE 46 Ca -0.00 -2.50 -0.24 0.00 -2.23 0.00 0.00 60.65 55.67 2k5u s ILE 46 Cb -0.13 -4.35 -0.00 0.00 -1.58 0.00 0.00 42.46 36.39 2k5u s ILE 46 CO 0.02 -1.01 1.62 1.55 -1.23 0.00 0.00 174.94 175.89 2k5u h PRO 47 N 7.72 -0.32 -2.22 2.79 0.13 -1.95 -3.46 132.00 134.70 2k5u h PRO 47 Ca 0.08 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.30 2k5u h PRO 47 Cb 1.03 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.07 2k5u h PRO 47 CO 0.76 -0.21 0.43 0.99 -0.23 0.00 0.00 178.00 179.73 2k5u s THR 48 N -6.04 0.00 -0.45 1.56 2.01 -1.26 -5.04 115.64 106.42 2k5u s THR 48 Ca -0.15 0.00 -0.42 0.00 0.31 0.00 0.00 61.69 61.43 2k5u s THR 48 Cb 0.11 -1.00 -0.17 0.00 0.01 0.00 0.00 72.50 71.45 2k5u s THR 48 CO 0.67 0.00 2.11 -0.38 -0.69 0.00 0.00 174.62 176.33 2k5u n ILE 49 N 0.06 0.06 0.00 1.82 2.08 -1.26 -0.31 119.36 121.80 2k5u n ILE 49 Ca -0.11 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2k5u n ILE 49 Cb 0.61 -0.84 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 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 6.96 1.02 2.91 7.39 0.00 -1.26 -5.10 105.19 117.11 2k5u n GLY 50 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.00 -0.07 -0.03 1.61 0.08 0.57 -5.15 117.98 112.99 2k5u s PHE 51 Ca 0.00 0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.29 2k5u s PHE 51 Cb 0.00 -0.03 0.01 0.00 -0.57 0.00 0.00 43.02 42.43 2k5u s PHE 51 CO 0.00 -0.07 -0.06 -0.80 -0.10 0.00 0.00 175.22 174.19 2k5u s ASN 52 N 0.38 1.02 0.00 1.36 0.01 -1.26 -3.99 114.94 112.46 2k5u s ASN 52 Ca -0.03 -0.15 0.02 0.00 -0.71 0.00 0.00 52.86 51.99 2k5u s ASN 52 Cb -0.04 -0.38 -0.01 0.00 0.41 0.00 0.00 41.25 41.23 2k5u s ASN 52 CO -0.01 0.01 -0.05 0.54 -1.51 0.00 0.00 177.10 176.07 2k5u s VAL 53 N 0.52 0.39 0.04 1.60 0.11 -1.09 -4.60 120.40 117.37 2k5u s VAL 53 Ca -0.07 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 2k5u s VAL 53 Cb -0.11 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2k5u s VAL 53 CO 0.00 0.01 0.02 -1.61 -3.33 0.00 0.00 175.10 170.20 2k5u s GLU 54 N -0.38 2.77 -0.06 1.54 8.01 -0.79 -2.48 118.70 127.31 2k5u s GLU 54 Ca -0.00 -0.67 -0.00 0.00 0.01 0.00 0.00 54.97 54.30 2k5u s GLU 54 Cb -0.03 -2.67 0.02 0.00 -4.31 0.00 0.00 34.13 27.15 2k5u s GLU 54 CO -0.00 0.59 -0.03 0.99 0.01 0.00 0.00 175.26 176.82 2k5u s THR 55 N -1.21 0.51 0.02 3.63 2.01 -1.05 -0.00 115.64 119.55 2k5u s THR 55 Ca 0.23 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.22 2k5u s THR 55 Cb -0.12 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2k5u s THR 55 CO 0.15 0.25 -0.07 0.68 -0.69 0.00 0.00 174.62 174.94 2k5u s VAL 56 N 1.39 0.52 -0.02 3.82 -7.23 0.79 -1.92 120.40 117.76 2k5u s VAL 56 Ca -0.04 -0.74 0.07 0.00 -1.81 0.00 0.00 61.98 59.47 2k5u s VAL 56 Cb -0.13 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 2k5u s VAL 56 CO -0.03 -0.16 -0.24 0.00 -0.31 0.00 0.00 175.10 174.36 2k5u s GLN 57 N -0.98 2.15 -0.33 4.82 0.00 -1.26 -0.77 119.66 123.28 2k5u s GLN 57 Ca -0.05 -0.91 -0.00 0.00 -0.00 0.00 0.00 55.36 54.40 2k5u s GLN 57 Cb -0.07 -2.09 0.11 0.00 0.00 0.00 0.00 33.01 30.96 2k5u s GLN 57 CO 0.00 0.57 0.13 0.71 0.00 0.00 0.00 175.29 176.70 2k5u s TYR 58 N -0.66 1.62 -0.19 9.60 2.02 0.16 -4.98 117.35 124.93 2k5u s TYR 58 Ca 0.11 -1.80 -0.17 0.00 -0.37 0.00 0.00 57.07 54.84 2k5u s TYR 58 Cb -0.10 -1.65 0.03 0.00 -0.40 0.00 0.00 41.96 39.83 2k5u s TYR 58 CO -0.00 -0.86 0.29 0.36 -1.57 0.00 0.00 175.55 173.77 2k5u n LYS 59 N 4.61 -0.91 0.00 -0.62 2.85 -1.26 -1.42 118.16 121.41 2k5u n LYS 59 Ca 0.00 0.87 0.00 0.00 -1.05 0.00 0.00 58.31 58.13 2k5u n LYS 59 Cb 0.40 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 2k5u n LYS 59 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2k5u n ASN 60 N 0.65 0.00 -4.76 -5.58 2.85 -1.26 -4.69 115.26 102.46 2k5u n ASN 60 Ca -0.04 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.02 2k5u n ASN 60 Cb 0.47 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.48 2k5u n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k5u s ILE 61 N 0.00 2.05 -0.01 -1.44 -1.09 -0.51 -4.95 121.20 115.26 2k5u s ILE 61 Ca 0.00 0.05 -0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2k5u s ILE 61 Cb 0.00 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 2k5u s ILE 61 CO 0.00 0.01 0.05 -0.55 -1.23 0.00 0.00 174.94 173.22 2k5u s SER 62 N 0.18 5.50 -0.08 3.58 0.15 -1.13 -0.66 113.70 121.24 2k5u s SER 62 Ca 0.58 0.11 -0.03 0.00 0.70 0.00 0.00 55.95 57.31 2k5u s SER 62 Cb -0.47 -1.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.33 2k5u s SER 62 CO 0.56 0.28 0.06 -0.36 1.20 0.00 0.00 173.24 174.97 2k5u s PHE 63 N -1.14 0.21 -0.09 3.44 0.08 0.05 -1.26 117.98 119.27 2k5u s PHE 63 Ca 0.21 0.05 0.04 0.00 0.12 0.00 0.00 56.93 57.35 2k5u s PHE 63 Cb -0.12 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 2k5u s PHE 63 CO 0.12 -0.29 -0.21 0.99 -0.10 0.00 0.00 175.22 175.74 2k5u s THR 64 N 2.12 1.78 -0.32 0.64 2.01 -1.06 -0.15 115.64 120.67 2k5u s THR 64 Ca 0.04 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 2k5u s THR 64 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 2k5u s THR 64 CO -0.05 0.50 0.22 -0.69 -0.69 0.00 0.00 174.62 173.91 2k5u s VAL 65 N 0.38 5.24 -0.15 3.82 1.01 1.00 0.10 120.40 131.80 2k5u s VAL 65 Ca -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2k5u s VAL 65 Cb -0.17 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2k5u s VAL 65 CO 0.07 0.06 -0.04 0.86 0.00 0.00 0.00 175.10 176.05 2k5u s TRP 66 N 1.72 1.53 0.97 5.22 -0.00 0.52 -1.89 118.94 127.01 2k5u s TRP 66 Ca 0.06 -0.95 -0.14 0.00 -0.00 0.00 0.00 56.10 55.08 2k5u s TRP 66 Cb -0.17 -1.24 0.13 0.00 -0.00 0.00 0.00 33.47 32.19 2k5u s TRP 66 CO 0.10 -0.58 0.15 -0.40 -0.00 0.00 0.00 176.95 176.22 2k5u n ASP 67 N 4.92 -2.85 -4.42 5.86 5.68 -1.26 -3.96 116.55 120.52 2k5u n ASP 67 Ca -0.11 -0.30 -0.30 0.00 -0.50 0.00 0.00 54.79 53.57 2k5u n ASP 67 Cb 0.48 -0.74 -0.19 0.00 -1.14 0.00 0.00 41.12 39.53 2k5u n ASP 67 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2k5u n VAL 68 N -4.21 0.00 0.00 2.12 0.24 0.12 -4.42 118.33 112.18 2k5u n VAL 68 Ca 0.04 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2k5u n VAL 68 Cb 0.37 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 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 5.85 -2.93 4.70 7.63 0.00 -1.26 -4.76 105.19 114.41 2k5u n GLY 69 Ca 0.66 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.75 0.46 0.00 -0.02 0.00 -1.26 -2.89 105.19 100.74 2k5u n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k5u n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5u n GLN 71 N -1.96 0.00 -1.26 1.61 10.64 -1.26 -4.91 117.38 120.24 2k5u n GLN 71 Ca 0.00 0.00 0.15 0.00 -1.83 0.00 0.00 57.00 55.32 2k5u n GLN 71 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 2k5u n GLN 71 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2k5u n ASP 72 N -0.04 -6.78 -0.80 2.61 5.68 -1.14 -5.05 116.55 111.03 2k5u n ASP 72 Ca 0.00 0.87 0.00 0.00 -0.50 0.00 0.00 54.79 55.16 2k5u n ASP 72 Cb 0.00 -4.08 0.00 0.00 -1.14 0.00 0.00 41.12 35.90 2k5u n ASP 72 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5u n ARG 73 N -3.86 0.00 -0.66 0.11 5.12 -1.26 -5.14 116.66 110.97 2k5u n ARG 73 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2k5u n ARG 73 Cb 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.93 2k5u n ARG 73 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2k5u n ILE 74 N 0.00 -2.32 -2.28 0.55 2.08 -1.26 -4.61 119.36 111.52 2k5u n ILE 74 Ca 0.00 0.88 -0.23 0.00 0.56 0.00 0.00 62.75 63.96 2k5u n ILE 74 Cb 0.00 -1.27 0.01 0.00 -0.75 0.00 0.00 39.64 37.63 2k5u n ILE 74 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2k5u n ARG 75 N -1.26 3.34 0.17 0.38 1.74 -1.26 -4.65 116.66 115.11 2k5u n ARG 75 Ca 0.00 -4.24 0.00 0.00 -0.77 0.00 0.00 57.85 52.84 2k5u n ARG 75 Cb 0.06 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 2k5u n ARG 75 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2k5u n SER 76 N -0.58 -2.97 0.32 0.55 2.88 -1.26 -4.92 113.62 107.65 2k5u n SER 76 Ca 0.39 0.74 -0.17 0.00 -1.33 0.00 0.00 58.87 58.49 2k5u n SER 76 Cb 0.82 2.89 -0.09 0.00 -0.75 0.00 0.00 64.21 67.09 2k5u n SER 76 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k5u h LEU 77 N 0.00 -0.75 -0.76 2.46 5.85 -1.93 -2.34 115.31 117.85 2k5u h LEU 77 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2k5u h LEU 77 Cb 0.00 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2k5u h LEU 77 CO 0.00 -0.50 0.46 -0.50 -0.34 0.00 0.00 178.44 177.56 2k5u h TRP 78 N -0.82 0.86 -0.08 1.25 4.06 -1.83 -2.57 115.95 116.83 2k5u h TRP 78 Ca -0.07 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.94 2k5u h TRP 78 Cb 0.64 -0.28 -0.05 0.00 -1.00 0.00 0.00 29.16 28.47 2k5u h TRP 78 CO -0.06 0.46 -0.24 -0.09 -3.56 0.00 0.00 178.44 174.95 2k5u h ARG 79 N 0.88 -0.32 0.29 0.49 9.65 -1.82 1.18 114.38 124.74 2k5u h ARG 79 Ca 0.32 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 2k5u h ARG 79 Cb 0.10 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 2k5u h ARG 79 CO -0.15 -0.21 -0.40 0.45 2.80 0.00 0.00 179.97 182.46 2k5u h HIS 80 N -0.33 -1.10 0.00 2.20 3.86 -1.16 -1.61 115.15 117.01 2k5u h HIS 80 Ca 0.09 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 2k5u h HIS 80 Cb 0.45 0.44 -0.00 0.00 1.06 0.00 0.00 27.41 29.36 2k5u h HIS 80 CO -0.32 -0.53 -0.11 1.88 0.86 0.00 0.00 177.93 179.72 2k5u h TYR 81 N -0.75 0.00 0.00 2.45 -1.99 -1.24 -2.57 116.97 112.87 2k5u h TYR 81 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 2k5u h TYR 81 Cb 0.70 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.43 2k5u h TYR 81 CO -0.27 0.11 0.00 0.98 -0.00 0.00 0.00 178.16 178.98 2k5u n TYR 82 N -3.51 0.00 -0.27 4.88 9.36 0.41 0.94 117.16 128.97 2k5u n TYR 82 Ca -0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 2k5u n TYR 82 Cb 0.25 -0.44 0.11 0.00 -0.63 0.00 0.00 39.34 38.63 2k5u n TYR 82 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k5u h ARG 83 N 0.00 0.82 -0.91 2.98 -0.00 -1.56 -2.21 114.38 113.51 2k5u h ARG 83 Ca 0.00 -0.05 0.08 0.00 -0.50 0.00 0.00 59.98 59.51 2k5u h ARG 83 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 29.97 29.72 2k5u h ARG 83 CO 0.00 0.55 0.56 -0.91 0.00 0.00 0.00 179.97 180.17 2k5u h ASN 84 N 0.85 0.87 -2.46 7.04 2.35 -1.34 -3.41 115.58 119.47 2k5u h ASN 84 Ca 0.32 0.02 -0.54 0.00 -0.55 0.00 0.00 56.30 55.56 2k5u h ASN 84 Cb 0.13 -0.16 0.04 0.00 0.05 0.00 0.00 38.32 38.39 2k5u h ASN 84 CO -0.16 0.54 1.07 0.41 -1.65 0.00 0.00 177.43 177.64 2k5u n THR 85 N -4.61 0.31 -0.00 2.81 -1.04 0.27 -4.61 114.28 107.41 2k5u n THR 85 Ca 0.14 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2k5u n THR 85 Cb 0.22 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.68 2k5u n THR 85 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k5u n GLU 86 N 5.35 1.92 -3.95 -2.82 -0.58 -0.19 -4.84 120.64 115.53 2k5u n GLU 86 Ca 0.18 -1.23 -0.08 0.00 -0.42 0.00 0.00 57.16 55.61 2k5u n GLU 86 Cb 0.36 -1.00 -0.08 0.00 -0.57 0.00 0.00 31.44 30.14 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 -0.73 0.24 -0.25 0.62 0.00 0.53 -4.11 107.32 103.62 2k5u s GLY 87 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 2k5u s GLY 87 CO 0.00 -1.00 0.31 -1.34 0.00 0.00 0.00 173.10 171.07 2k5u s VAL 88 N -3.84 -0.46 -0.25 1.40 -7.23 -1.15 -2.22 120.40 106.65 2k5u s VAL 88 Ca 0.05 -0.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2k5u s VAL 88 Cb 0.06 -0.86 0.01 0.00 0.56 0.00 0.00 36.38 36.15 2k5u s VAL 88 CO -0.10 -0.29 -0.01 -0.51 -0.31 0.00 0.00 175.10 173.88 2k5u s ILE 89 N 2.42 3.41 -0.22 -0.62 2.07 -0.72 -2.37 121.20 125.17 2k5u s ILE 89 Ca 0.10 -0.70 -0.09 0.00 -1.41 0.00 0.00 60.65 58.55 2k5u s ILE 89 Cb -0.15 -2.67 -0.04 0.00 0.13 0.00 0.00 42.46 39.73 2k5u s ILE 89 CO -0.22 0.26 0.12 0.12 -1.91 0.00 0.00 174.94 173.30 2k5u s PHE 90 N 1.44 3.27 -0.14 3.50 5.36 0.16 -2.71 117.98 128.87 2k5u s PHE 90 Ca 0.03 0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2k5u s PHE 90 Cb -0.16 -2.20 0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2k5u s PHE 90 CO -0.02 0.05 -0.16 0.08 -1.46 0.00 0.00 175.22 173.71 2k5u s VAL 91 N 0.90 1.67 0.30 3.12 1.01 -1.07 0.10 120.40 126.43 2k5u s VAL 91 Ca 0.06 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.44 2k5u s VAL 91 Cb -0.13 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2k5u s VAL 91 CO 0.03 0.47 -0.14 0.54 0.00 0.00 0.00 175.10 176.00 2k5u s VAL 92 N 1.25 2.50 -0.18 2.92 0.11 -0.93 -3.86 120.40 122.22 2k5u s VAL 92 Ca 0.00 -2.28 -0.26 0.00 -2.93 0.00 0.00 61.98 56.52 2k5u s VAL 92 Cb -0.14 -2.47 -0.01 0.00 -1.53 0.00 0.00 36.38 32.23 2k5u s VAL 92 CO -0.07 -0.33 0.85 -0.62 -3.33 0.00 0.00 175.10 171.59 2k5u s ASP 93 N -3.56 6.96 0.42 3.54 -1.08 -1.26 -2.86 116.67 118.83 2k5u s ASP 93 Ca 0.31 1.18 0.23 0.00 -0.52 0.00 0.00 52.55 53.75 2k5u s ASP 93 Cb -0.03 -2.46 0.85 0.00 -1.46 0.00 0.00 42.92 39.82 2k5u s ASP 93 CO 0.16 -0.43 1.80 -1.28 0.52 0.00 0.00 175.17 175.94 2k5u h SER 94 N 7.37 0.00 -0.44 -0.34 0.87 -1.84 -2.77 113.55 116.41 2k5u h SER 94 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2k5u h SER 94 Cb 1.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2k5u h SER 94 CO 0.85 0.26 0.00 -3.20 -0.53 0.00 0.00 176.83 174.21 2k5u n ASN 95 N -3.42 3.09 -3.32 6.23 5.15 -1.26 -2.70 115.26 119.03 2k5u n ASN 95 Ca 0.00 -1.95 -0.29 0.00 -0.60 0.00 0.00 54.58 51.75 2k5u n ASN 95 Cb 0.45 -0.29 -0.06 0.00 -0.53 0.00 0.00 39.78 39.36 2k5u n ASN 95 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k5u n ASP 96 N 1.22 4.33 -0.17 1.20 9.92 -1.04 -4.85 116.55 127.16 2k5u n ASP 96 Ca 0.19 -3.53 -0.04 0.00 -0.53 0.00 0.00 54.79 50.88 2k5u n ASP 96 Cb 0.53 -0.70 0.16 0.00 -0.64 0.00 0.00 41.12 40.47 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 3.89 0.91 0.00 -1.24 0.11 -1.79 -2.04 114.38 114.23 2k5u h ARG 97 Ca 0.19 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k5u h ARG 97 Cb 0.59 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2k5u h ARG 97 CO 0.88 0.81 0.21 0.77 0.10 0.00 0.00 179.97 182.74 2k5u h SER 98 N 0.88 0.00 -0.15 0.08 0.02 -1.96 0.25 113.55 112.66 2k5u h SER 98 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k5u h SER 98 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2k5u h SER 98 CO -0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 2k5u n ARG 99 N -2.90 1.55 -0.03 3.45 5.12 -0.79 -4.57 116.66 118.49 2k5u n ARG 99 Ca -0.02 -1.52 0.01 0.00 -1.93 0.00 0.00 57.85 54.39 2k5u n ARG 99 Cb 0.26 -1.22 0.34 0.00 -1.16 0.00 0.00 32.46 30.68 2k5u n ARG 99 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 2k5u h ILE 100 N 1.94 1.16 -0.28 0.55 6.09 -0.27 0.31 117.51 127.01 2k5u h ILE 100 Ca 0.00 -0.51 -0.16 0.00 -1.37 0.00 0.00 64.86 62.81 2k5u h ILE 100 Cb 0.56 0.68 -0.00 0.00 0.47 0.00 0.00 36.82 38.52 2k5u h ILE 100 CO 0.00 0.20 -0.48 1.23 -3.07 0.00 0.00 178.15 176.03 2k5u h GLY 101 N 0.75 0.84 1.77 8.18 0.00 -1.81 -0.59 103.07 112.21 2k5u h GLY 101 Ca 0.14 -0.92 -0.14 0.00 0.00 0.00 0.00 47.33 46.42 2k5u h GLY 101 CO -0.01 0.83 -0.55 1.05 0.00 0.00 0.00 176.54 177.85 2k5u h GLU 102 N 0.61 0.24 -0.22 4.80 4.11 -1.64 -2.13 114.58 120.35 2k5u h GLU 102 Ca 0.03 -0.15 -0.10 0.00 0.07 0.00 0.00 59.36 59.21 2k5u h GLU 102 Cb 1.05 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k5u h GLU 102 CO 0.10 0.73 -0.25 0.00 0.07 0.00 0.00 179.01 179.66 2k5u h ALA 103 N 1.24 0.32 -0.25 1.06 0.00 -0.25 -2.84 119.26 118.55 2k5u h ALA 103 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2k5u h ALA 103 Cb 1.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k5u h ALA 103 CO 0.09 0.31 -0.18 0.07 0.00 0.00 0.00 179.25 179.53 2k5u h ARG 104 N 0.24 0.43 -0.64 0.00 0.11 -1.03 -2.14 114.38 111.36 2k5u h ARG 104 Ca 0.03 -0.14 -0.05 0.00 0.10 0.00 0.00 59.98 59.92 2k5u h ARG 104 Cb 0.82 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.83 2k5u h ARG 104 CO 0.06 0.60 0.19 1.49 0.10 0.00 0.00 179.97 182.41 2k5u h GLU 105 N 0.39 1.00 -0.55 0.08 4.57 -1.34 0.34 114.58 119.07 2k5u h GLU 105 Ca 0.07 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 57.95 2k5u h GLU 105 Cb 0.55 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2k5u h GLU 105 CO 0.04 0.88 0.06 0.28 -1.18 0.00 0.00 179.01 179.09 2k5u h VAL 106 N 0.92 1.26 -0.34 0.32 2.07 -1.25 -0.23 116.25 119.00 2k5u h VAL 106 Ca 0.20 -1.02 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 2k5u h VAL 106 Cb 0.31 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2k5u h VAL 106 CO -0.00 0.37 -0.29 -0.03 0.02 0.00 0.00 177.57 177.64 2k5u h MET 107 N 0.81 0.72 -0.24 1.57 1.85 -1.08 -2.54 114.93 116.03 2k5u h MET 107 Ca 0.16 -0.31 -0.05 0.00 -0.61 0.00 0.00 59.70 58.89 2k5u h MET 107 Cb 0.45 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.46 2k5u h MET 107 CO 0.02 0.92 -0.03 0.37 -0.40 0.00 0.00 176.91 177.78 2k5u h GLN 108 N 0.61 0.44 -0.86 0.39 5.75 -0.05 -1.48 115.11 119.92 2k5u h GLN 108 Ca 0.07 -0.16 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2k5u h GLN 108 Cb 0.80 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 2k5u h GLN 108 CO 0.07 0.65 0.56 0.00 -2.65 0.00 0.00 178.83 177.46 2k5u h ARG 109 N 0.20 1.15 -0.38 1.69 2.47 -1.00 -2.02 114.38 116.48 2k5u h ARG 109 Ca 0.06 -0.08 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 2k5u h ARG 109 Cb 0.47 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 2k5u h ARG 109 CO 0.02 0.77 -0.24 1.98 0.56 0.00 0.00 179.97 183.06 2k5u h MET 110 N 1.18 0.78 0.00 0.04 4.05 -1.31 -2.68 114.93 116.99 2k5u h MET 110 Ca 0.32 -0.32 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2k5u h MET 110 Cb -0.11 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2k5u h MET 110 CO -0.07 0.94 -0.01 1.25 0.23 0.00 0.00 176.91 179.26 2k5u h LEU 111 N 0.67 0.00 0.00 3.39 5.85 -0.52 -1.46 115.31 123.24 2k5u h LEU 111 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2k5u h LEU 111 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2k5u h LEU 111 CO 0.06 0.01 0.00 -0.46 -0.34 0.00 0.00 178.44 177.71 2k5u n ASN 112 N -3.18 0.00 -4.59 1.25 2.04 -1.01 -4.75 115.26 105.03 2k5u n ASN 112 Ca -0.02 -1.26 -0.42 0.00 -0.44 0.00 0.00 54.58 52.44 2k5u n ASN 112 Cb 0.12 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.35 2k5u n ASN 112 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2k5u s GLU 113 N -2.00 3.53 0.45 -3.83 8.01 -0.55 -4.88 118.70 119.43 2k5u s GLU 113 Ca 0.30 0.47 0.19 0.00 0.01 0.00 0.00 54.97 55.94 2k5u s GLU 113 Cb 0.14 -4.01 1.15 0.00 -4.31 0.00 0.00 34.13 27.09 2k5u s GLU 113 CO 0.23 -1.65 1.93 0.38 0.01 0.00 0.00 175.26 176.16 2k5u h ASP 114 N 9.96 0.29 0.95 -0.19 3.04 -1.90 0.49 116.42 129.06 2k5u h ASP 114 Ca -0.25 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 2k5u h ASP 114 Cb 1.07 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2k5u h ASP 114 CO 1.16 0.15 0.00 -0.62 -2.04 0.00 0.00 179.24 177.88 2k5u n GLU 115 N -4.45 0.10 -0.09 4.15 -0.58 -1.26 -2.70 120.64 115.81 2k5u n GLU 115 Ca 0.14 0.19 0.05 0.00 -0.42 0.00 0.00 57.16 57.13 2k5u n GLU 115 Cb 0.59 -1.65 0.10 0.00 -0.57 0.00 0.00 31.44 29.91 2k5u n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2k5u n LEU 116 N -1.83 2.42 0.34 -4.62 7.99 0.16 -4.57 117.00 116.89 2k5u n LEU 116 Ca 0.05 -1.54 0.22 0.00 -0.01 0.00 0.00 56.01 54.73 2k5u n LEU 116 Cb 0.30 -0.12 1.19 0.00 -0.11 0.00 0.00 43.42 44.68 2k5u n LEU 116 CO 0.23 0.56 1.18 -0.09 -1.51 0.00 0.00 177.39 177.76 2k5u h ARG 117 N 1.99 0.00 -0.31 3.23 2.43 -1.09 -0.55 114.38 120.08 2k5u h ARG 117 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5u h ARG 117 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2k5u h ARG 117 CO 0.00 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.55 2k5u n ASN 118 N -3.11 3.32 -4.84 -3.80 3.02 -1.26 -5.00 115.26 103.58 2k5u n ASN 118 Ca -0.03 -2.42 -0.35 0.00 -0.03 0.00 0.00 54.58 51.75 2k5u n ASN 118 Cb 0.08 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 2k5u n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k5u s ALA 119 N -1.76 3.55 -0.30 5.41 0.00 -0.22 -5.04 121.76 123.41 2k5u s ALA 119 Ca 0.31 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2k5u s ALA 119 Cb 0.21 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.79 2k5u s ALA 119 CO 0.13 0.44 1.05 0.00 0.00 0.00 0.00 175.76 177.38 2k5u s ALA 120 N -1.50 3.54 0.06 0.00 0.00 -1.26 -4.91 121.76 117.69 2k5u s ALA 120 Ca 0.39 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 2k5u s ALA 120 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 2k5u s ALA 120 CO 0.19 -1.38 0.29 -1.58 0.00 0.00 0.00 175.76 173.28 2k5u s TRP 121 N 3.53 3.53 -0.08 0.00 0.52 -0.92 -2.92 118.94 122.61 2k5u s TRP 121 Ca 0.44 0.50 -0.04 0.00 0.02 0.00 0.00 56.10 57.02 2k5u s TRP 121 Cb -0.13 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2k5u s TRP 121 CO 0.13 0.55 0.18 -1.17 0.02 0.00 0.00 176.95 176.66 2k5u s LEU 122 N -2.22 0.69 -0.42 2.99 1.98 -1.00 -2.59 118.68 118.12 2k5u s LEU 122 Ca 0.34 0.38 -0.10 0.00 -2.89 0.00 0.00 54.13 51.85 2k5u s LEU 122 Cb -0.13 0.51 0.07 0.00 0.66 0.00 0.00 46.19 47.30 2k5u s LEU 122 CO 0.22 -0.14 0.26 -0.69 -1.89 0.00 0.00 176.35 174.10 2k5u s VAL 123 N 1.08 4.34 -0.26 1.68 1.01 0.63 0.39 120.40 129.27 2k5u s VAL 123 Ca -0.08 -1.30 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 2k5u s VAL 123 Cb -0.10 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2k5u s VAL 123 CO -0.06 -0.47 0.34 0.12 0.00 0.00 0.00 175.10 175.03 2k5u s PHE 124 N 1.46 3.26 -0.22 5.22 5.36 0.11 -2.57 117.98 130.61 2k5u s PHE 124 Ca 0.03 0.39 -0.12 0.00 -0.96 0.00 0.00 56.93 56.26 2k5u s PHE 124 Cb -0.23 -2.53 -0.05 0.00 -0.34 0.00 0.00 43.02 39.88 2k5u s PHE 124 CO 0.03 -0.18 0.22 0.00 -1.46 0.00 0.00 175.22 173.83 2k5u s ALA 125 N 1.91 3.61 -0.23 11.12 0.00 -0.94 -2.18 121.76 135.05 2k5u s ALA 125 Ca 0.14 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2k5u s ALA 125 Cb -0.16 -2.37 0.05 0.00 0.00 0.00 0.00 23.12 20.65 2k5u s ALA 125 CO 0.10 -0.12 -0.10 0.54 0.00 0.00 0.00 175.76 176.17 2k5u s ASN 126 N 0.86 3.94 0.00 0.00 6.03 -1.13 -1.47 114.94 123.16 2k5u s ASN 126 Ca 0.11 -1.16 0.00 0.00 -1.03 0.00 0.00 52.86 50.79 2k5u s ASN 126 Cb -0.13 -1.38 0.00 0.00 -3.03 0.00 0.00 41.25 36.70 2k5u s ASN 126 CO 0.04 -0.17 0.00 0.29 -2.03 0.00 0.00 177.10 175.23 2k5u n LYS 127 N 4.56 0.00 0.09 3.55 5.02 -0.94 -2.86 118.16 127.59 2k5u n LYS 127 Ca -0.14 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.27 2k5u n LYS 127 Cb 0.44 0.00 0.45 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 0.17 0.20 1.97 3.00 0.38 -2.53 117.38 120.57 2k5u n GLN 128 Ca 0.00 0.28 0.09 0.00 -0.01 0.00 0.00 57.00 57.35 2k5u n GLN 128 Cb 0.00 -1.76 0.29 0.00 0.00 0.00 0.00 30.24 28.77 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 -2.61 1.08 3.04 -1.94 -3.44 116.42 112.56 2k5u h ASP 129 Ca 0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 2k5u h ASP 129 Cb 0.50 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.79 2k5u h ASP 129 CO 0.00 0.25 1.08 -0.22 -2.04 0.00 0.00 179.24 178.31 2k5u s LEU 130 N -6.52 4.33 0.26 0.15 1.98 -1.05 -4.86 118.68 112.97 2k5u s LEU 130 Ca 0.03 2.29 0.18 0.00 -2.89 0.00 0.00 54.13 53.73 2k5u s LEU 130 Cb 0.08 -3.54 0.95 0.00 0.66 0.00 0.00 46.19 44.35 2k5u s LEU 130 CO 0.67 -0.93 1.54 -0.81 -1.89 0.00 0.00 176.35 174.94 2k5u n PRO 131 N 6.99 0.12 -0.18 0.98 -0.04 -1.26 -0.81 135.00 140.79 2k5u n PRO 131 Ca 0.17 0.60 0.06 0.00 -0.04 0.00 0.00 63.50 64.29 2k5u n PRO 131 Cb 0.42 -1.87 0.16 0.00 -0.04 0.00 0.00 33.50 32.17 2k5u n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2k5u n GLU 132 N -2.12 2.82 -2.79 0.54 2.13 -1.26 -5.01 120.64 114.95 2k5u n GLU 132 Ca -0.01 -2.06 -0.33 0.00 0.66 0.00 0.00 57.16 55.42 2k5u n GLU 132 Cb 0.04 -1.28 -0.07 0.00 0.27 0.00 0.00 31.44 30.40 2k5u n GLU 132 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k5u s ALA 133 N -1.00 3.03 0.40 4.31 0.00 0.01 -4.90 121.76 123.60 2k5u s ALA 133 Ca 0.24 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.42 2k5u s ALA 133 Cb 0.13 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.98 2k5u s ALA 133 CO 0.17 0.09 0.93 0.00 0.00 0.00 0.00 175.76 176.94 2k5u s MET 134 N -3.13 4.28 0.55 0.00 0.23 -1.10 -5.01 119.30 115.12 2k5u s MET 134 Ca 0.62 1.12 -0.17 0.00 -1.03 0.00 0.00 55.69 56.23 2k5u s MET 134 Cb -0.10 -2.33 -0.06 0.00 -1.53 0.00 0.00 34.83 30.81 2k5u s MET 134 CO 0.14 0.05 1.03 -1.12 -2.03 0.00 0.00 175.02 173.10 2k5u s SER 135 N -2.07 6.11 0.28 -1.18 0.01 -1.26 -4.80 113.70 110.79 2k5u s SER 135 Ca 0.59 1.78 0.01 0.00 1.31 0.00 0.00 55.95 59.64 2k5u s SER 135 Cb -0.11 -2.53 0.63 0.00 0.21 0.00 0.00 66.02 64.21 2k5u s SER 135 CO 0.16 -0.94 1.74 0.00 0.41 0.00 0.00 173.24 174.60 2k5u h ALA 136 N 0.81 1.37 -0.18 1.44 0.00 -1.96 0.36 119.26 121.10 2k5u h ALA 136 Ca -0.47 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2k5u h ALA 136 Cb 1.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2k5u h ALA 136 CO 0.59 -0.19 -0.14 0.00 0.00 0.00 0.00 179.25 179.50 2k5u h ALA 137 N 1.63 1.43 -0.01 0.00 0.00 -1.96 0.21 119.26 120.56 2k5u h ALA 137 Ca 0.51 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 2k5u h ALA 137 Cb 0.84 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k5u h ALA 137 CO -0.43 0.40 -0.99 0.93 0.00 0.00 0.00 179.25 179.16 2k5u h GLU 138 N 0.27 0.58 -0.23 0.00 4.39 -0.81 -2.68 114.58 116.09 2k5u h GLU 138 Ca 0.05 -0.61 -0.08 0.00 0.34 0.00 0.00 59.36 59.06 2k5u h GLU 138 Cb 0.42 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k5u h GLU 138 CO 0.03 1.22 -0.18 0.82 -1.16 0.00 0.00 179.01 179.74 2k5u h ILE 139 N 0.33 1.32 -0.93 3.13 2.04 -0.21 0.46 117.51 123.64 2k5u h ILE 139 Ca -0.10 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.46 2k5u h ILE 139 Cb 1.63 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 39.33 2k5u h ILE 139 CO 0.18 0.41 0.61 0.00 0.00 0.00 0.00 178.15 179.35 2k5u h THR 140 N 0.23 1.21 -0.03 -0.27 1.03 -0.65 0.21 112.91 114.64 2k5u h THR 140 Ca 0.04 -0.42 -0.22 0.00 -0.01 0.00 0.00 66.41 65.80 2k5u h THR 140 Cb 0.72 -0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.67 2k5u h THR 140 CO 0.05 0.22 -0.89 -0.33 -0.01 0.00 0.00 175.52 174.56 2k5u h GLU 141 N 1.23 0.45 -0.46 0.00 3.07 -1.43 0.85 114.58 118.28 2k5u h GLU 141 Ca 0.35 -0.45 -0.13 0.00 -0.50 0.00 0.00 59.36 58.63 2k5u h GLU 141 Cb -0.09 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2k5u h GLU 141 CO -0.09 1.10 -0.23 -0.22 -1.40 0.00 0.00 179.01 178.17 2k5u h LYS 142 N 0.27 0.97 -0.14 2.33 3.64 -0.38 -2.76 116.57 120.49 2k5u h LYS 142 Ca -0.07 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2k5u h LYS 142 Cb 1.51 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 2k5u h LYS 142 CO 0.16 1.09 0.00 1.47 -2.27 0.00 0.00 179.45 179.90 2k5u n LEU 143 N -4.13 0.85 -1.31 5.20 -0.00 0.69 -4.81 117.00 113.49 2k5u n LEU 143 Ca -0.00 -0.41 -0.14 0.00 -0.00 0.00 0.00 56.01 55.46 2k5u n LEU 143 Cb 0.46 -0.10 -0.04 0.00 -0.00 0.00 0.00 43.42 43.75 2k5u n LEU 143 CO 0.47 0.20 -0.15 0.61 -0.00 0.00 0.00 177.39 178.52 2k5u n GLY 144 N 0.80 0.69 0.25 1.47 0.00 -1.04 -4.73 105.19 102.64 2k5u n GLY 144 Ca 0.08 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.18 0.99 7.12 0.49 -1.51 115.31 122.22 2k5u h LEU 145 Ca -0.31 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.63 2k5u h LEU 145 Cb 1.06 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 2k5u h LEU 145 CO 0.40 0.14 -0.35 -0.74 -0.13 0.00 0.00 178.44 177.76 2k5u h HIS 146 N 0.00 0.00 -0.01 1.25 2.76 -1.84 -3.00 115.15 114.31 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 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2k5u h HIS 146 CO 0.00 0.35 0.00 0.45 -1.30 0.00 0.00 177.93 177.43 2k5u n SER 147 N -3.23 0.57 -4.80 3.26 2.88 -0.58 -4.81 113.62 106.91 2k5u n SER 147 Ca 0.02 -1.20 -0.36 0.00 -1.33 0.00 0.00 58.87 56.00 2k5u n SER 147 Cb 0.64 -0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.03 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 -2.00 4.99 -0.47 2.46 2.07 -1.14 -5.00 121.20 122.12 2k5u s ILE 148 Ca 0.44 -0.03 -0.40 0.00 -1.41 0.00 0.00 60.65 59.24 2k5u s ILE 148 Cb 0.21 -3.17 -0.16 0.00 0.13 0.00 0.00 42.46 39.47 2k5u s ILE 148 CO 0.35 0.58 2.18 -1.14 -1.91 0.00 0.00 174.94 175.00 2k5u n ARG 149 N 1.92 0.38 -2.09 3.50 0.63 -1.26 -4.85 116.66 114.89 2k5u n ARG 149 Ca -0.18 0.10 -0.41 0.00 -0.92 0.00 0.00 57.85 56.44 2k5u n ARG 149 Cb 0.54 -1.85 -0.02 0.00 0.45 0.00 0.00 32.46 31.58 2k5u n ARG 149 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2k5u s ASN 150 N 6.63 6.75 0.00 6.15 3.84 -1.26 -4.15 114.94 132.90 2k5u s ASN 150 Ca 1.17 2.65 0.00 0.00 0.21 0.00 0.00 52.86 56.89 2k5u s ASN 150 Cb -1.25 -2.64 0.00 0.00 -0.55 0.00 0.00 41.25 36.81 2k5u s ASN 150 CO 0.59 -0.59 0.00 0.54 -2.79 0.00 0.00 177.10 174.85 2k5u n ARG 151 N 1.50 0.00 0.11 0.43 1.74 -1.26 -4.96 116.66 114.22 2k5u n ARG 151 Ca 0.03 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 2k5u n ARG 151 Cb 0.41 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.71 2k5u n ARG 151 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2k5u h PRO 152 N 0.00 0.35 -5.50 5.56 0.11 -1.93 -3.46 132.00 127.13 2k5u h PRO 152 Ca 0.00 -0.60 -0.64 0.00 0.11 0.00 0.00 66.00 64.87 2k5u h PRO 152 Cb 0.00 0.22 -0.14 0.00 0.11 0.00 0.00 31.00 31.19 2k5u h PRO 152 CO 0.00 1.28 -0.56 1.67 -0.21 0.00 0.00 178.00 180.18 2k5u s TRP 153 N -2.64 3.30 0.10 0.65 -2.14 -1.25 -2.15 118.94 114.82 2k5u s TRP 153 Ca -0.06 0.19 0.09 0.00 2.66 0.00 0.00 56.10 58.99 2k5u s TRP 153 Cb 0.06 -1.99 -0.04 0.00 -3.10 0.00 0.00 33.47 28.41 2k5u s TRP 153 CO 0.90 0.34 -0.20 0.12 -2.66 0.00 0.00 176.95 175.46 2k5u s PHE 154 N -0.19 2.50 -0.05 1.66 2.19 -1.07 -4.97 117.98 118.05 2k5u s PHE 154 Ca 0.08 -0.28 0.06 0.00 0.33 0.00 0.00 56.93 57.11 2k5u s PHE 154 Cb -0.12 -1.35 -0.01 0.00 -1.31 0.00 0.00 43.02 40.23 2k5u s PHE 154 CO 0.01 0.35 -0.24 -1.50 1.83 0.00 0.00 175.22 175.67 2k5u s ILE 155 N -1.08 1.94 -0.14 3.12 -1.16 -1.26 -0.26 121.20 122.35 2k5u s ILE 155 Ca 0.17 -1.01 -0.10 0.00 -0.51 0.00 0.00 60.65 59.20 2k5u s ILE 155 Cb -0.10 -1.64 0.05 0.00 0.61 0.00 0.00 42.46 41.37 2k5u s ILE 155 CO 0.08 0.54 0.36 -1.58 -2.81 0.00 0.00 174.94 171.54 2k5u s GLN 156 N -0.18 0.37 0.10 3.50 2.00 -1.06 -5.00 119.66 119.39 2k5u s GLN 156 Ca -0.02 0.63 -0.18 0.00 -2.00 0.00 0.00 55.36 53.79 2k5u s GLN 156 Cb -0.13 0.05 -0.07 0.00 0.80 0.00 0.00 33.01 33.66 2k5u s GLN 156 CO 0.03 -0.12 0.57 0.00 -0.50 0.00 0.00 175.29 175.27 2k5u s ALA 157 N 0.89 3.58 0.30 1.58 0.00 -1.26 -2.21 121.76 124.64 2k5u s ALA 157 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 2k5u s ALA 157 Cb -0.06 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.45 2k5u s ALA 157 CO -0.07 0.41 0.47 0.95 0.00 0.00 0.00 175.76 177.53 2k5u s THR 158 N -1.24 0.00 -0.21 0.00 -4.23 -0.54 -4.78 115.64 104.65 2k5u s THR 158 Ca 0.32 -1.51 -0.02 0.00 -1.18 0.00 0.00 61.69 59.30 2k5u s THR 158 Cb -0.18 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.23 2k5u s THR 158 CO 0.19 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.27 2k5u h ALA 160 N 8.14 1.77 0.18 0.00 0.00 -1.89 -1.58 119.26 125.88 2k5u h ALA 160 Ca -0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2k5u h ALA 160 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2k5u h ALA 160 CO 0.36 0.12 -0.09 1.79 0.00 0.00 0.00 179.25 181.44 2k5u h THR 161 N 0.00 0.76 0.00 0.00 1.35 -1.96 -3.31 112.91 109.76 2k5u h THR 161 Ca -0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 2k5u h THR 161 Cb 0.18 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2k5u h THR 161 CO 0.01 0.20 -0.07 -1.20 -0.25 0.00 0.00 175.52 174.20 2k5u n SER 162 N -4.94 0.16 0.00 5.36 7.64 -1.23 -4.90 113.62 115.71 2k5u n SER 162 Ca -0.08 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2k5u n SER 162 Cb 0.26 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2k5u n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k5u n GLY 163 N 1.48 0.58 3.64 0.23 0.00 -0.60 -4.96 105.19 105.55 2k5u n GLY 163 Ca 0.07 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 -0.38 3.98 0.00 1.61 2.12 -1.18 -2.56 118.70 122.29 2k5u s GLU 164 Ca 0.00 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.74 2k5u s GLU 164 Cb 0.00 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.52 2k5u s GLU 164 CO 0.00 -1.04 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 2k5u n GLY 165 N 4.18 3.16 0.13 -1.50 0.00 -1.26 -1.35 105.19 108.56 2k5u n GLY 165 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 0.40 -0.00 0.99 3.38 -1.78 -1.26 115.31 117.03 2k5u h LEU 166 Ca 0.00 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 2k5u h LEU 166 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2k5u h LEU 166 CO 0.00 0.89 0.00 1.88 0.09 0.00 0.00 178.44 181.30 2k5u h TYR 167 N -0.07 0.01 0.00 1.13 -1.99 -1.92 -2.25 116.97 111.88 2k5u h TYR 167 Ca 0.00 -0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 2k5u h TYR 167 Cb 0.83 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.55 2k5u h TYR 167 CO 0.11 0.28 -0.21 1.05 -0.00 0.00 0.00 178.16 179.39 2k5u h GLU 168 N -0.27 0.00 -0.12 4.88 9.09 -1.90 -0.78 114.58 125.48 2k5u h GLU 168 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 2k5u h GLU 168 Cb 0.28 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.39 2k5u h GLU 168 CO 0.00 0.21 -0.71 0.78 0.05 0.00 0.00 179.01 179.34 2k5u h GLY 169 N 1.09 0.76 0.71 1.06 0.00 -1.07 -2.49 103.07 103.13 2k5u h GLY 169 Ca -0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 47.33 46.09 2k5u h GLY 169 CO 0.03 0.98 -0.51 0.17 0.00 0.00 0.00 176.54 177.22 2k5u h LEU 170 N 0.37 0.46 -0.59 3.11 8.10 -1.26 -2.45 115.31 123.05 2k5u h LEU 170 Ca -0.06 -0.76 0.10 0.00 0.11 0.00 0.00 57.88 57.28 2k5u h LEU 170 Cb 1.35 -0.14 -0.08 0.00 -0.44 0.00 0.00 40.66 41.35 2k5u h LEU 170 CO 0.15 1.15 0.15 -0.33 -4.11 0.00 0.00 178.44 175.45 2k5u h GLU 171 N -0.19 0.28 -0.58 0.17 4.39 -1.24 0.27 114.58 117.69 2k5u h GLU 171 Ca -0.06 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2k5u h GLU 171 Cb 1.22 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 2k5u h GLU 171 CO 0.10 0.19 0.25 -1.49 -1.16 0.00 0.00 179.01 176.90 2k5u h TRP 172 N 0.29 0.86 -0.68 4.33 4.06 -1.49 -2.41 115.95 120.91 2k5u h TRP 172 Ca 0.30 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 61.20 2k5u h TRP 172 Cb 0.43 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 2k5u h TRP 172 CO -0.22 0.68 0.42 -0.07 -3.56 0.00 0.00 178.44 175.68 2k5u h LEU 173 N 0.79 0.81 -0.77 -4.49 3.38 -0.57 -2.24 115.31 112.21 2k5u h LEU 173 Ca 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k5u h LEU 173 Cb 0.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2k5u h LEU 173 CO -0.02 0.61 0.48 -1.28 0.09 0.00 0.00 178.44 178.32 2k5u h SER 174 N 0.94 0.91 -0.74 -0.43 0.87 -0.05 -1.44 113.55 113.61 2k5u h SER 174 Ca 0.25 -0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2k5u h SER 174 Cb -0.05 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.64 2k5u h SER 174 CO -0.05 0.69 0.49 -1.13 -0.53 0.00 0.00 176.83 176.30 2k5u h ASN 175 N 1.05 0.84 -0.15 6.23 -0.73 -1.14 0.82 115.58 122.49 2k5u h ASN 175 Ca 0.28 -0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.35 2k5u h ASN 175 Cb -0.06 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.30 2k5u h ASN 175 CO -0.05 0.61 -0.13 -1.28 -0.37 0.00 0.00 177.43 176.20 2k5u h SER 176 N 1.00 0.51 1.47 1.15 0.87 -1.24 0.57 113.55 117.88 2k5u h SER 176 Ca 0.27 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 2k5u h SER 176 Cb -0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2k5u h SER 176 CO -0.06 0.67 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.31 2k5u h LEU 177 N 0.48 0.00 0.00 2.23 4.07 -0.48 -1.57 115.31 120.04 2k5u h LEU 177 Ca 0.09 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.91 2k5u h LEU 177 Cb 0.52 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2k5u h LEU 177 CO 0.03 0.45 -1.21 0.50 -1.08 0.00 0.00 178.44 177.13 2k5u h LYS 178 N 0.00 0.00 0.00 1.13 3.11 0.12 -3.41 116.57 117.51 2k5u h LYS 178 Ca -0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2k5u h LYS 178 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 2k5u h LYS 178 CO 0.06 0.29 -0.22 0.09 -2.81 0.00 0.00 179.45 176.85 2k5u n ASN 179 N -2.92 0.55 -2.17 4.20 4.13 0.19 -4.99 115.26 114.26 2k5u n ASN 179 Ca -0.07 0.22 -0.18 0.00 1.68 0.00 0.00 54.58 56.23 2k5u n ASN 179 Cb 0.79 -0.59 -0.00 0.00 -1.54 0.00 0.00 39.78 38.44 2k5u n ASN 179 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k5u n SER 180 N -3.01 -5.33 0.00 6.41 2.88 -0.59 -5.07 113.62 108.91 2k5u n SER 180 Ca -0.03 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2k5u n SER 180 Cb 0.12 -4.36 0.00 0.00 -0.75 0.00 0.00 64.21 59.22 2k5u n SER 180 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16