#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5a n PRO 8 N 0.00 -0.52 -1.40 3.23 -0.02 -1.26 -4.74 135.00 130.29 2q5a n PRO 8 Ca 0.00 -0.10 -0.59 0.00 -2.02 0.00 0.00 63.50 60.78 2q5a n PRO 8 Cb 0.00 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 2q5a n PRO 8 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2q5a n PRO 9 N -2.86 0.29 0.00 0.52 -0.02 -1.26 -2.68 135.00 128.99 2q5a n PRO 9 Ca 0.08 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2q5a n PRO 9 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2q5a n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q5a n GLY 10 N 6.51 1.01 3.88 -1.23 0.00 -1.26 -4.92 105.19 109.19 2q5a n GLY 10 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 2q5a n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2q5a s TRP 11 N -2.00 3.59 0.03 1.61 0.52 -1.09 -1.46 118.94 120.14 2q5a s TRP 11 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 56.10 56.68 2q5a s TRP 11 Cb 0.00 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2q5a s TRP 11 CO 0.00 0.65 -0.04 -1.83 0.02 0.00 0.00 176.95 175.74 2q5a s GLU 12 N -1.59 0.40 0.24 4.98 -1.05 -0.13 -4.94 118.70 116.61 2q5a s GLU 12 Ca 0.25 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 54.05 2q5a s GLU 12 Cb -0.13 0.02 -0.09 0.00 -0.44 0.00 0.00 34.13 33.49 2q5a s GLU 12 CO 0.14 -0.03 0.96 0.21 0.95 0.00 0.00 175.26 177.49 2q5a s LYS 13 N -1.78 4.82 0.33 -4.83 2.20 -1.26 -1.54 119.74 117.68 2q5a s LYS 13 Ca -0.12 1.53 0.06 0.00 -0.36 0.00 0.00 55.97 57.08 2q5a s LYS 13 Cb -0.08 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.94 2q5a s LYS 13 CO -0.02 0.46 0.25 0.00 -0.36 0.00 0.00 175.35 175.69 2q5a s ALA 14 N -1.10 1.95 -0.07 3.13 0.00 0.02 -4.93 121.76 120.76 2q5a s ALA 14 Ca 0.42 -1.95 0.02 0.00 0.00 0.00 0.00 51.96 50.45 2q5a s ALA 14 Cb -0.27 1.39 0.01 0.00 0.00 0.00 0.00 23.12 24.26 2q5a s ALA 14 CO 0.33 -0.62 -0.12 1.41 0.00 0.00 0.00 175.76 176.76 2q5a s MET 15 N -3.53 1.70 0.16 0.00 1.75 -1.26 -1.22 119.30 116.90 2q5a s MET 15 Ca 0.39 -0.41 -0.31 0.00 -1.25 0.00 0.00 55.69 54.10 2q5a s MET 15 Cb 0.03 -1.42 -0.11 0.00 2.84 0.00 0.00 34.83 36.17 2q5a s MET 15 CO 0.25 0.01 1.80 0.45 -0.65 0.00 0.00 175.02 176.88 2q5a s SER 16 N 0.71 6.40 0.40 1.11 0.15 0.05 -4.89 113.70 117.64 2q5a s SER 16 Ca -0.14 2.81 0.19 0.00 0.70 0.00 0.00 55.95 59.52 2q5a s SER 16 Cb -0.16 -2.58 0.85 0.00 -1.71 0.00 0.00 66.02 62.43 2q5a s SER 16 CO 0.03 -1.00 1.82 0.03 1.20 0.00 0.00 173.24 175.33 2q5a h ARG 17 N 7.98 0.00 0.00 5.44 3.08 -1.96 0.72 114.38 129.64 2q5a h ARG 17 Ca -0.45 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.42 2q5a h ARG 17 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 2q5a h ARG 17 CO 0.95 0.32 -1.46 -1.13 -1.07 0.00 0.00 179.97 177.58 2q5a n SER 18 N -3.67 0.83 0.00 7.04 3.41 -1.26 -4.64 113.62 115.33 2q5a n SER 18 Ca -0.01 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 2q5a n SER 18 Cb 0.43 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2q5a n SER 18 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q5a n SER 19 N -2.89 4.61 0.00 4.04 3.41 -1.23 -5.04 113.62 116.52 2q5a n SER 19 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 2q5a n SER 19 Cb 0.86 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 2q5a n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q5a n GLY 20 N 2.53 1.63 3.77 5.00 0.00 0.24 -4.99 105.19 113.38 2q5a n GLY 20 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2q5a n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2q5a s ARG 21 N -0.30 4.62 0.40 1.61 3.52 -1.26 -4.57 118.95 122.97 2q5a s ARG 21 Ca 0.00 1.39 -0.26 0.00 -0.13 0.00 0.00 55.73 56.73 2q5a s ARG 21 Cb 0.00 -2.89 -0.09 0.00 -1.56 0.00 0.00 34.95 30.41 2q5a s ARG 21 CO 0.00 0.30 1.24 0.14 -0.81 0.00 0.00 175.30 176.16 2q5a s VAL 22 N -1.52 2.88 0.34 7.11 -7.23 -1.26 -0.77 120.40 119.95 2q5a s VAL 22 Ca 0.49 0.77 0.05 0.00 -1.81 0.00 0.00 61.98 61.48 2q5a s VAL 22 Cb -0.21 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 2q5a s VAL 22 CO 0.26 0.10 0.34 0.00 -0.31 0.00 0.00 175.10 175.48 2q5a n TYR 23 N 0.14 -0.97 -4.94 2.82 4.11 -0.35 -4.87 117.16 113.09 2q5a n TYR 23 Ca 0.04 -2.69 -0.27 0.00 -0.00 0.00 0.00 57.90 54.98 2q5a n TYR 23 Cb 0.45 0.36 -0.16 0.00 -0.00 0.00 0.00 39.34 39.99 2q5a n TYR 23 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2q5a s TYR 24 N -3.23 1.78 -0.01 -3.48 1.51 0.36 -0.80 117.35 113.49 2q5a s TYR 24 Ca 0.37 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.09 2q5a s TYR 24 Cb 0.01 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 2q5a s TYR 24 CO 0.26 -0.07 -0.14 0.12 -1.11 0.00 0.00 175.55 174.61 2q5a s PHE 25 N -0.33 1.28 -0.23 2.71 5.36 -0.59 -1.07 117.98 125.11 2q5a s PHE 25 Ca 0.04 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 55.74 2q5a s PHE 25 Cb -0.09 -0.82 0.01 0.00 -0.34 0.00 0.00 43.02 41.79 2q5a s PHE 25 CO 0.00 -0.02 -0.07 1.21 -1.46 0.00 0.00 175.22 174.89 2q5a s ASN 26 N -0.41 4.17 0.00 6.13 3.84 -0.16 -0.96 114.94 127.56 2q5a s ASN 26 Ca 0.05 -0.66 0.31 0.00 0.21 0.00 0.00 52.86 52.77 2q5a s ASN 26 Cb -0.06 -1.67 1.66 0.00 -0.55 0.00 0.00 41.25 40.63 2q5a s ASN 26 CO -0.00 -0.07 2.09 0.00 -2.79 0.00 0.00 177.10 176.33 2q5a n HIS 27 N 4.72 0.00 -0.09 0.43 1.44 -0.53 -0.08 115.22 121.10 2q5a n HIS 27 Ca -0.18 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.33 2q5a n HIS 27 Cb 0.49 -0.03 -0.12 0.00 0.12 0.00 0.00 29.99 30.44 2q5a n HIS 27 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2q5a n ILE 28 N -0.78 1.58 0.72 0.61 5.41 -1.26 -4.56 119.36 121.09 2q5a n ILE 28 Ca 0.22 -0.57 0.10 0.00 1.00 0.00 0.00 62.75 63.50 2q5a n ILE 28 Cb 0.18 -1.57 -0.13 0.00 -0.71 0.00 0.00 39.64 37.41 2q5a n ILE 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2q5a n THR 29 N -3.44 0.00 -1.33 1.39 -2.24 -1.22 -4.15 114.28 103.30 2q5a n THR 29 Ca -0.42 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 2q5a n THR 29 Cb 0.99 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.93 2q5a n THR 29 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2q5a n ASN 30 N -1.67 -5.13 -4.79 3.42 5.03 0.88 -0.82 115.26 112.18 2q5a n ASN 30 Ca 0.02 0.28 -0.34 0.00 0.87 0.00 0.00 54.58 55.41 2q5a n ASN 30 Cb 0.37 -3.62 -0.03 0.00 -1.02 0.00 0.00 39.78 35.48 2q5a n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2q5a s ALA 31 N -2.16 2.87 -0.00 5.41 0.00 -1.22 -3.40 121.76 123.25 2q5a s ALA 31 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 2q5a s ALA 31 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.85 2q5a s ALA 31 CO 0.00 -0.34 0.01 -1.54 0.00 0.00 0.00 175.76 173.89 2q5a s SER 32 N -1.94 0.05 0.08 0.00 1.04 -1.26 -0.98 113.70 110.68 2q5a s SER 32 Ca 0.67 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.83 2q5a s SER 32 Cb -0.17 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.05 2q5a s SER 32 CO 0.21 -0.10 0.40 0.00 0.98 0.00 0.00 173.24 174.73 2q5a s GLN 33 N -0.42 0.98 0.03 4.02 -2.07 -0.23 -5.01 119.66 116.97 2q5a s GLN 33 Ca -0.05 -0.51 -0.09 0.00 -1.82 0.00 0.00 55.36 52.89 2q5a s GLN 33 Cb -0.03 0.43 -0.31 0.00 -1.09 0.00 0.00 33.01 32.01 2q5a s GLN 33 CO -0.00 -0.35 0.99 -1.49 -1.32 0.00 0.00 175.29 173.11 2q5a h TRP 34 N 2.75 0.69 -4.03 9.60 4.06 -1.89 0.11 115.95 127.23 2q5a h TRP 34 Ca -0.32 -0.50 -0.45 0.00 2.06 0.00 0.00 58.89 59.68 2q5a h TRP 34 Cb 1.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 29.34 2q5a h TRP 34 CO 0.38 1.44 0.34 -1.21 -3.56 0.00 0.00 178.44 175.83 2q5a s GLU 35 N -2.62 4.26 0.00 0.49 2.02 -1.26 -4.56 118.70 117.03 2q5a s GLU 35 Ca -0.08 1.17 -0.30 0.00 0.02 0.00 0.00 54.97 55.79 2q5a s GLU 35 Cb 0.06 -2.28 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 2q5a s GLU 35 CO 0.90 -0.01 1.79 0.50 0.02 0.00 0.00 175.26 178.46 2q5a s ARG 36 N -2.99 4.16 0.44 1.61 3.52 -1.26 -4.72 118.95 119.71 2q5a s ARG 36 Ca 0.60 2.39 -0.26 0.00 -0.13 0.00 0.00 55.73 58.34 2q5a s ARG 36 Cb -0.11 -4.01 -0.09 0.00 -1.56 0.00 0.00 34.95 29.18 2q5a s ARG 36 CO 0.15 -0.88 1.42 -0.35 -0.81 0.00 0.00 175.30 174.83 2q5a n PRO 37 N 7.11 2.25 0.00 5.12 -0.04 -1.26 -5.15 135.00 143.02 2q5a n PRO 37 Ca 0.18 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 2q5a n PRO 37 Cb 0.42 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2q5a n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2q5a n SER 38 N -0.06 0.00 -4.15 3.54 2.88 -1.26 -4.72 113.62 109.84 2q5a n SER 38 Ca 0.05 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.40 2q5a n SER 38 Cb 0.41 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.74 2q5a n SER 38 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2q5a s GLU 51 N 0.10 0.89 0.68 -1.46 -1.05 -1.26 -4.80 118.70 111.81 2q5a s GLU 51 Ca 0.00 -0.83 -0.17 0.00 -0.15 0.00 0.00 54.97 53.82 2q5a s GLU 51 Cb 0.00 -0.90 0.01 0.00 -0.44 0.00 0.00 34.13 32.80 2q5a s GLU 51 CO 0.00 0.21 1.26 -1.25 0.95 0.00 0.00 175.26 176.44 2q5a s PRO 52 N -1.37 2.36 0.06 -4.83 0.04 -1.26 -4.98 135.00 125.02 2q5a s PRO 52 Ca 0.00 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 2q5a s PRO 52 Cb -0.09 -1.84 -0.26 0.00 0.04 0.00 0.00 34.50 32.36 2q5a s PRO 52 CO 0.02 -1.72 1.15 0.00 0.04 0.00 0.00 177.00 176.49 2q5a h ALA 53 N 0.21 0.07 -3.14 8.56 0.00 -2.01 -3.46 119.26 119.49 2q5a h ALA 53 Ca -0.50 -0.73 -0.39 0.00 0.00 0.00 0.00 54.91 53.30 2q5a h ALA 53 Cb 1.32 0.08 -0.20 0.00 0.00 0.00 0.00 17.79 19.00 2q5a h ALA 53 CO 0.52 0.68 -0.76 1.03 0.00 0.00 0.00 179.25 180.71 2q5a s ARG 54 N -3.18 0.86 0.15 0.00 0.52 -1.26 -4.37 118.95 111.67 2q5a s ARG 54 Ca -0.10 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.11 2q5a s ARG 54 Cb 0.06 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.73 2q5a s ARG 54 CO 0.93 0.15 -0.11 0.14 0.02 0.00 0.00 175.30 176.43 2q5a s VAL 55 N -1.71 1.23 -0.09 3.52 -7.23 -0.62 -4.95 120.40 110.53 2q5a s VAL 55 Ca 0.02 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2q5a s VAL 55 Cb -0.07 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 2q5a s VAL 55 CO 0.02 -0.68 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.36 2q5a s ARG 56 N -3.53 2.96 0.06 4.82 3.52 -1.26 -0.80 118.95 124.72 2q5a s ARG 56 Ca 0.15 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2q5a s ARG 56 Cb 0.01 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 2q5a s ARG 56 CO 0.01 0.34 -0.08 0.00 -0.81 0.00 0.00 175.30 174.76 2q5a s SER 58 N -2.01 4.96 0.13 0.00 0.01 0.25 -1.26 113.70 115.77 2q5a s SER 58 Ca -0.03 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 2q5a s SER 58 Cb -0.06 -1.00 -0.00 0.00 0.21 0.00 0.00 66.02 65.17 2q5a s SER 58 CO -0.01 -0.13 0.24 -1.38 0.41 0.00 0.00 173.24 172.37 2q5a s HIS 59 N -2.29 0.25 -0.17 2.43 -3.43 -0.16 -0.44 115.29 111.48 2q5a s HIS 59 Ca 0.35 -0.64 0.01 0.00 -0.80 0.00 0.00 55.06 53.97 2q5a s HIS 59 Cb -0.06 -0.04 0.02 0.00 -1.43 0.00 0.00 32.58 31.07 2q5a s HIS 59 CO 0.23 -0.63 -0.16 -1.17 -2.00 0.00 0.00 174.74 171.01 2q5a s LEU 60 N -2.91 1.92 -0.14 5.38 0.20 -0.06 -4.41 118.68 118.65 2q5a s LEU 60 Ca 0.11 -0.60 -0.05 0.00 0.69 0.00 0.00 54.13 54.28 2q5a s LEU 60 Cb 0.04 -1.29 -0.03 0.00 -0.43 0.00 0.00 46.19 44.48 2q5a s LEU 60 CO -0.06 -0.05 0.02 -0.22 -0.29 0.00 0.00 176.35 175.75 2q5a s LEU 61 N 1.41 3.58 -0.27 -0.68 2.96 -1.26 -1.03 118.68 123.39 2q5a s LEU 61 Ca 0.04 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2q5a s LEU 61 Cb -0.13 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.73 2q5a s LEU 61 CO -0.11 0.24 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 2q5a s VAL 62 N -0.04 2.90 0.64 1.68 1.01 0.10 0.38 120.40 127.08 2q5a s VAL 62 Ca 0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 2q5a s VAL 62 Cb -0.13 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2q5a s VAL 62 CO 0.02 0.05 1.00 -0.54 0.00 0.00 0.00 175.10 175.63 2q5a s LYS 63 N 1.28 2.93 0.32 2.72 1.02 -1.26 -1.51 119.74 125.25 2q5a s LYS 63 Ca -0.03 0.25 0.05 0.00 0.02 0.00 0.00 55.97 56.26 2q5a s LYS 63 Cb -0.18 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2q5a s LYS 63 CO -0.03 -0.84 0.30 -3.38 -0.92 0.00 0.00 175.35 170.48 2q5a s HIS 64 N -3.17 1.57 0.62 3.18 -3.43 -1.26 -4.82 115.29 107.98 2q5a s HIS 64 Ca 0.56 -1.57 0.36 0.00 -0.80 0.00 0.00 55.06 53.61 2q5a s HIS 64 Cb -0.11 -0.58 2.08 0.00 -1.43 0.00 0.00 32.58 32.54 2q5a s HIS 64 CO 0.49 -0.90 2.30 0.66 -2.00 0.00 0.00 174.74 175.29 2q5a h SER 65 N 2.18 0.00 -0.30 7.38 4.64 -0.78 -0.47 113.55 126.20 2q5a h SER 65 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2q5a h SER 65 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2q5a h SER 65 CO 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 2q5a n GLN 66 N -3.51 2.29 -1.74 4.77 6.02 -1.26 -4.85 117.38 119.10 2q5a n GLN 66 Ca -0.03 -1.93 -0.38 0.00 -0.01 0.00 0.00 57.00 54.64 2q5a n GLN 66 Cb 0.08 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 29.91 2q5a n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2q5a n SER 67 N 1.17 2.50 -0.30 1.08 7.64 -0.19 -4.88 113.62 120.64 2q5a n SER 67 Ca 0.18 0.94 0.12 0.00 1.01 0.00 0.00 58.87 61.12 2q5a n SER 67 Cb 0.53 -1.57 0.29 0.00 -1.01 0.00 0.00 64.21 62.45 2q5a n SER 67 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2q5a h ARG 68 N 1.22 0.40 -2.99 1.43 2.43 -1.17 -3.27 114.38 112.43 2q5a h ARG 68 Ca -0.51 -0.02 -0.61 0.00 -0.81 0.00 0.00 59.98 58.03 2q5a h ARG 68 Cb 1.31 -0.09 -0.40 0.00 -0.42 0.00 0.00 29.97 30.37 2q5a h ARG 68 CO 0.56 0.27 -0.73 0.50 -1.51 0.00 0.00 179.97 179.05 2q5a s ARG 69 N -5.91 1.35 -1.23 0.20 3.00 -1.26 -5.04 118.95 110.05 2q5a s ARG 69 Ca -0.12 -2.08 -0.10 0.00 -1.00 0.00 0.00 55.73 52.43 2q5a s ARG 69 Cb 0.25 -2.39 -0.07 0.00 0.00 0.00 0.00 34.95 32.74 2q5a s ARG 69 CO 0.78 -1.17 2.42 -0.35 0.00 0.00 0.00 175.30 176.98 2q5a n PRO 70 N 3.44 2.71 -3.58 5.12 -0.04 -1.24 -4.75 135.00 136.67 2q5a n PRO 70 Ca 0.10 -1.92 -0.17 0.00 -0.04 0.00 0.00 63.50 61.47 2q5a n PRO 70 Cb 0.35 -2.74 -0.07 0.00 -0.04 0.00 0.00 33.50 31.00 2q5a n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2q5a s SER 71 N 3.11 -0.57 0.38 3.54 0.15 -1.26 -0.79 113.70 118.26 2q5a s SER 71 Ca 0.54 0.66 -0.09 0.00 0.70 0.00 0.00 55.95 57.75 2q5a s SER 71 Cb 0.14 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 65.06 2q5a s SER 71 CO -0.03 -0.54 0.66 -0.94 1.20 0.00 0.00 173.24 173.59 2q5a s SER 72 N -1.06 0.50 0.62 5.45 1.04 -0.49 -4.97 113.70 114.79 2q5a s SER 72 Ca -0.10 -1.36 0.38 0.00 0.48 0.00 0.00 55.95 55.34 2q5a s SER 72 Cb -0.01 0.79 2.09 0.00 0.10 0.00 0.00 66.02 68.98 2q5a s SER 72 CO 0.08 -1.56 2.29 4.11 0.98 0.00 0.00 173.24 179.14 2q5a h TRP 73 N 2.03 0.00 0.08 5.02 5.08 -1.92 -2.62 115.95 123.62 2q5a h TRP 73 Ca -0.31 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.40 2q5a h TRP 73 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 2q5a h TRP 73 CO 1.57 0.01 -1.20 0.00 -1.28 0.00 0.00 178.44 177.54 2q5a h ARG 74 N 0.00 0.16 -2.10 0.12 3.08 -1.95 -3.46 114.38 110.23 2q5a h ARG 74 Ca -0.00 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.80 2q5a h ARG 74 Cb 0.06 0.10 -0.22 0.00 0.08 0.00 0.00 29.97 30.00 2q5a h ARG 74 CO 0.00 1.10 -0.11 -1.14 -1.07 0.00 0.00 179.97 178.75 2q5a s GLN 75 N -2.67 0.59 0.14 0.04 0.74 -0.99 -5.06 119.66 112.45 2q5a s GLN 75 Ca -0.03 1.29 -0.13 0.00 0.05 0.00 0.00 55.36 56.55 2q5a s GLN 75 Cb 0.08 0.50 -0.00 0.00 1.10 0.00 0.00 33.01 34.69 2q5a s GLN 75 CO 0.86 -0.18 1.57 1.49 -0.55 0.00 0.00 175.29 178.47 2q5a h GLU 76 N 7.61 0.84 -4.83 1.67 4.81 -1.91 -1.30 114.58 121.47 2q5a h GLU 76 Ca -0.23 -0.29 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 2q5a h GLU 76 Cb 1.15 -0.06 -0.36 0.00 0.63 0.00 0.00 28.75 30.11 2q5a h GLU 76 CO 0.14 0.92 -0.77 0.21 -0.73 0.00 0.00 179.01 178.78 2q5a s LYS 77 N -4.90 2.23 -0.27 1.92 2.20 -1.26 -4.34 119.74 115.32 2q5a s LYS 77 Ca -0.12 -1.38 -0.22 0.00 -0.36 0.00 0.00 55.97 53.89 2q5a s LYS 77 Cb 0.11 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2q5a s LYS 77 CO 0.82 -0.61 0.70 0.42 -0.36 0.00 0.00 175.35 176.32 2q5a s ILE 78 N 1.12 4.91 -0.25 5.43 1.01 0.03 -4.90 121.20 128.55 2q5a s ILE 78 Ca -0.06 1.21 0.06 0.00 0.00 0.00 0.00 60.65 61.86 2q5a s ILE 78 Cb -0.20 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.17 2q5a s ILE 78 CO -0.04 -0.07 0.25 0.35 0.00 0.00 0.00 174.94 175.43 2q5a n THR 79 N 5.29 0.00 -1.78 2.92 -2.24 -1.26 -4.11 114.28 113.10 2q5a n THR 79 Ca 0.02 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 2q5a n THR 79 Cb 0.48 0.89 0.05 0.00 -2.10 0.00 0.00 70.33 69.66 2q5a n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q5a s ARG 80 N -1.74 2.87 0.70 -0.78 1.70 -1.26 -4.55 118.95 115.88 2q5a s ARG 80 Ca 0.02 2.13 -0.11 0.00 -0.47 0.00 0.00 55.73 57.30 2q5a s ARG 80 Cb 0.05 -2.05 0.01 0.00 -0.57 0.00 0.00 34.95 32.39 2q5a s ARG 80 CO 0.26 -1.37 1.06 0.95 -1.08 0.00 0.00 175.30 175.12 2q5a s THR 81 N -1.36 3.97 0.26 4.99 -4.23 -1.26 -0.26 115.64 117.75 2q5a s THR 81 Ca 0.77 0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 61.90 2q5a s THR 81 Cb -0.38 -3.43 0.25 0.00 1.34 0.00 0.00 72.50 70.28 2q5a s THR 81 CO 0.43 -0.84 1.85 0.50 -0.54 0.00 0.00 174.62 176.03 2q5a h LYS 82 N -0.71 1.00 -0.71 3.99 3.64 -1.94 -0.57 116.57 121.28 2q5a h LYS 82 Ca -0.44 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2q5a h LYS 82 Cb 1.22 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 2q5a h LYS 82 CO 0.58 0.66 0.46 0.93 -2.27 0.00 0.00 179.45 179.81 2q5a h GLU 83 N 1.03 0.94 -0.66 1.90 3.07 -1.99 -0.58 114.58 118.27 2q5a h GLU 83 Ca 0.43 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.15 2q5a h GLU 83 Cb 0.29 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2q5a h GLU 83 CO -0.21 0.63 0.10 0.93 -1.40 0.00 0.00 179.01 179.06 2q5a h GLU 84 N 0.96 1.11 -0.75 2.33 5.08 -1.78 -1.78 114.58 119.75 2q5a h GLU 84 Ca 0.26 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2q5a h GLU 84 Cb -0.10 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2q5a h GLU 84 CO -0.05 1.02 0.48 0.00 -1.00 0.00 0.00 179.01 179.46 2q5a h ALA 85 N 1.04 0.95 -0.59 3.43 0.00 -0.77 -1.90 119.26 121.42 2q5a h ALA 85 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2q5a h ALA 85 Cb 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2q5a h ALA 85 CO 0.01 0.38 0.00 1.25 0.00 0.00 0.00 179.25 180.90 2q5a h LEU 86 N 1.01 1.03 -0.83 0.00 5.85 -0.76 -0.92 115.31 120.69 2q5a h LEU 86 Ca 0.27 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2q5a h LEU 86 Cb -0.10 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 2q5a h LEU 86 CO -0.06 1.08 0.53 -0.33 -0.34 0.00 0.00 178.44 179.32 2q5a h GLU 87 N 0.94 0.98 -0.23 1.25 5.08 -1.01 0.18 114.58 121.78 2q5a h GLU 87 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2q5a h GLU 87 Cb 0.55 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2q5a h GLU 87 CO 0.03 0.65 0.12 -0.07 -1.00 0.00 0.00 179.01 178.74 2q5a h LEU 88 N 1.01 0.30 -0.35 1.33 3.38 -1.02 -1.11 115.31 118.86 2q5a h LEU 88 Ca 0.34 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2q5a h LEU 88 Cb 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2q5a h LEU 88 CO -0.13 0.32 0.16 0.40 0.09 0.00 0.00 178.44 179.28 2q5a h ILE 89 N 0.25 0.97 -0.70 1.22 1.08 -0.84 -1.00 117.51 118.49 2q5a h ILE 89 Ca 0.08 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 2q5a h ILE 89 Cb 0.10 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 2q5a h ILE 89 CO -0.01 0.06 0.35 0.78 -0.69 0.00 0.00 178.15 178.64 2q5a h ASN 90 N 0.34 0.89 -0.50 1.72 2.35 -0.72 -0.41 115.58 119.25 2q5a h ASN 90 Ca 0.15 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2q5a h ASN 90 Cb 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2q5a h ASN 90 CO -0.11 0.75 0.14 1.23 -1.65 0.00 0.00 177.43 177.79 2q5a h GLY 91 N 1.05 0.84 0.95 2.83 0.00 -0.66 -1.54 103.07 106.54 2q5a h GLY 91 Ca 0.25 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2q5a h GLY 91 CO -0.03 0.47 0.16 -0.97 0.00 0.00 0.00 176.54 176.17 2q5a h TYR 92 N 0.67 0.66 -0.57 5.60 0.05 -0.56 -1.95 116.97 120.87 2q5a h TYR 92 Ca 0.16 -0.05 0.09 0.00 0.05 0.00 0.00 58.73 58.98 2q5a h TYR 92 Cb 0.29 -0.20 -0.07 0.00 1.01 0.00 0.00 36.73 37.76 2q5a h TYR 92 CO 0.02 0.58 0.18 0.82 -1.05 0.00 0.00 178.16 178.71 2q5a h ILE 93 N 0.55 0.74 -0.30 -2.88 2.04 -0.96 -0.65 117.51 116.05 2q5a h ILE 93 Ca 0.14 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2q5a h ILE 93 Cb 0.21 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2q5a h ILE 93 CO -0.01 0.06 0.02 1.56 0.00 0.00 0.00 178.15 179.79 2q5a h GLN 94 N 0.34 0.12 -0.36 2.37 4.20 -0.96 0.23 115.11 121.04 2q5a h GLN 94 Ca 0.29 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 2q5a h GLN 94 Cb 0.38 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2q5a h GLN 94 CO -0.32 0.08 -0.14 0.87 -0.67 0.00 0.00 178.83 178.65 2q5a h LYS 95 N 0.12 0.65 -0.24 1.46 1.57 -0.97 -0.92 116.57 118.24 2q5a h LYS 95 Ca 0.14 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2q5a h LYS 95 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2q5a h LYS 95 CO -0.22 0.76 -0.09 0.82 -0.57 0.00 0.00 179.45 180.15 2q5a h ILE 96 N 0.59 1.29 -0.22 1.86 2.04 -0.80 -2.10 117.51 120.18 2q5a h ILE 96 Ca 0.10 -1.14 -0.10 0.00 1.00 0.00 0.00 64.86 64.72 2q5a h ILE 96 Cb 0.57 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2q5a h ILE 96 CO 0.04 0.35 -0.31 0.11 0.00 0.00 0.00 178.15 178.34 2q5a h LYS 97 N 0.22 0.44 0.00 2.37 1.57 -0.78 -2.58 116.57 117.81 2q5a h LYS 97 Ca 0.06 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2q5a h LYS 97 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2q5a h LYS 97 CO 0.03 0.71 0.00 0.66 -0.57 0.00 0.00 179.45 180.28 2q5a h SER 98 N 0.39 0.00 0.00 0.86 4.64 -1.16 -3.47 113.55 114.81 2q5a h SER 98 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2q5a h SER 98 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2q5a h SER 98 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2q5a n GLY 99 N 0.60 0.84 0.29 -0.77 0.00 -0.96 -4.92 105.19 100.28 2q5a n GLY 99 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2q5a n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q5a h GLU 100 N 3.23 0.64 -4.63 1.61 5.08 -1.67 -3.43 114.58 115.41 2q5a h GLU 100 Ca 0.00 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 57.99 2q5a h GLU 100 Cb 0.00 -0.11 -0.20 0.00 0.50 0.00 0.00 28.75 28.94 2q5a h GLU 100 CO 0.00 0.57 -0.73 -1.21 -1.00 0.00 0.00 179.01 176.64 2q5a s GLU 101 N -5.20 0.61 0.21 2.33 0.41 -0.94 -5.04 118.70 111.08 2q5a s GLU 101 Ca -0.08 -0.90 -0.17 0.00 -0.41 0.00 0.00 54.97 53.41 2q5a s GLU 101 Cb 0.16 -0.30 -0.08 0.00 -1.78 0.00 0.00 34.13 32.13 2q5a s GLU 101 CO 0.77 0.04 0.66 -0.51 -0.49 0.00 0.00 175.26 175.73 2q5a s ASP 102 N -1.91 6.94 0.23 -0.19 1.01 -1.26 -4.02 116.67 117.46 2q5a s ASP 102 Ca -0.05 1.27 -0.07 0.00 0.71 0.00 0.00 52.55 54.42 2q5a s ASP 102 Cb -0.07 -2.36 0.38 0.00 1.01 0.00 0.00 42.92 41.88 2q5a s ASP 102 CO -0.01 0.03 1.72 0.15 0.21 0.00 0.00 175.17 177.27 2q5a h PHE 103 N 3.31 0.38 -0.67 4.23 3.04 -1.95 -1.79 116.94 123.48 2q5a h PHE 103 Ca -0.48 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.46 2q5a h PHE 103 Cb 1.19 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.61 2q5a h PHE 103 CO 0.64 0.02 0.24 0.93 -2.02 0.00 0.00 178.31 178.12 2q5a h GLU 104 N 0.36 0.99 -0.21 1.11 3.07 -1.94 0.91 114.58 118.88 2q5a h GLU 104 Ca 0.37 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 2q5a h GLU 104 Cb 0.55 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2q5a h GLU 104 CO -0.40 0.83 -0.07 1.03 -1.40 0.00 0.00 179.01 178.99 2q5a h SER 105 N 0.97 0.43 -0.41 1.42 0.87 -1.78 -1.40 113.55 113.64 2q5a h SER 105 Ca 0.22 -0.39 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 2q5a h SER 105 Cb 0.22 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 2q5a h SER 105 CO -0.02 0.72 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.76 2q5a h LEU 106 N 0.13 0.91 -0.45 2.23 3.38 -0.93 -2.36 115.31 118.23 2q5a h LEU 106 Ca 0.05 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2q5a h LEU 106 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2q5a h LEU 106 CO 0.03 1.07 0.25 0.00 0.09 0.00 0.00 178.44 179.88 2q5a h ALA 107 N 1.00 0.58 -0.81 1.53 0.00 -0.77 0.66 119.26 121.45 2q5a h ALA 107 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2q5a h ALA 107 Cb 0.71 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2q5a h ALA 107 CO 0.05 0.10 0.50 0.77 0.00 0.00 0.00 179.25 180.67 2q5a h SER 108 N 0.59 0.97 0.47 0.00 0.02 -1.10 -1.91 113.55 112.60 2q5a h SER 108 Ca 0.16 -0.05 -0.30 0.00 -0.84 0.00 0.00 61.79 60.76 2q5a h SER 108 Cb 0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 2q5a h SER 108 CO -0.03 0.74 -1.50 1.56 -1.14 0.00 0.00 176.83 176.46 2q5a h GLN 109 N 1.12 0.24 0.00 3.45 4.20 -1.23 -3.43 115.11 119.46 2q5a h GLN 109 Ca 0.29 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2q5a h GLN 109 Cb -0.06 0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2q5a h GLN 109 CO -0.06 1.11 0.00 1.19 -0.67 0.00 0.00 178.83 180.40 2q5a n PHE 110 N -3.45 0.00 -2.31 2.96 3.72 0.21 -5.03 117.46 113.56 2q5a n PHE 110 Ca -0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.82 2q5a n PHE 110 Cb 1.04 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.55 2q5a n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2q5a s SER 111 N -0.38 6.96 -0.05 4.37 0.15 -0.73 -4.80 113.70 119.22 2q5a s SER 111 Ca 0.00 2.12 -0.04 0.00 0.70 0.00 0.00 55.95 58.73 2q5a s SER 111 Cb 0.00 -2.58 -0.16 0.00 -1.71 0.00 0.00 66.02 61.57 2q5a s SER 111 CO 0.00 -0.58 3.12 0.47 1.20 0.00 0.00 173.24 177.45 2q5a n ASP 112 N 4.25 5.41 -3.76 5.45 8.00 0.16 -4.71 116.55 131.36 2q5a n ASP 112 Ca 0.11 -2.54 -0.13 0.00 0.71 0.00 0.00 54.79 52.93 2q5a n ASP 112 Cb 0.45 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 40.12 2q5a n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2q5a h SER 114 N 4.90 0.00 0.12 0.00 4.64 -2.01 -1.11 113.55 120.09 2q5a h SER 114 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2q5a h SER 114 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2q5a h SER 114 CO 0.34 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.76 2q5a n SER 115 N -3.11 0.27 -0.32 4.97 3.41 -1.26 -1.72 113.62 115.86 2q5a n SER 115 Ca -0.02 0.61 0.19 0.00 -0.26 0.00 0.00 58.87 59.40 2q5a n SER 115 Cb 0.17 -0.66 0.44 0.00 -0.26 0.00 0.00 64.21 63.90 2q5a n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q5a h ALA 116 N 2.08 2.00 0.00 7.33 0.00 -1.45 0.01 119.26 129.22 2q5a h ALA 116 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2q5a h ALA 116 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2q5a h ALA 116 CO 0.00 -0.39 0.00 0.87 0.00 0.00 0.00 179.25 179.73 2q5a h LYS 117 N 0.53 0.00 -0.56 0.00 1.79 -1.58 -1.23 116.57 115.53 2q5a h LYS 117 Ca 0.58 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.72 2q5a h LYS 117 Cb 1.24 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.69 2q5a h LYS 117 CO -0.33 0.00 -0.00 0.00 -1.08 0.00 0.00 179.45 178.03 2q5a n ALA 118 N -1.87 4.82 -2.39 3.86 0.00 -0.36 -4.93 120.51 119.64 2q5a n ALA 118 Ca 0.00 -3.26 -0.21 0.00 0.00 0.00 0.00 53.44 49.97 2q5a n ALA 118 Cb 0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 2q5a n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2q5a n ARG 119 N -1.05 -1.68 -0.35 0.00 1.74 -0.46 -1.53 116.66 113.33 2q5a n ARG 119 Ca 0.41 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.51 2q5a n ARG 119 Cb 1.05 -5.68 0.00 0.00 -1.02 0.00 0.00 32.46 26.81 2q5a n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2q5a n GLY 120 N -1.01 1.75 3.72 -0.13 0.00 -0.16 -4.68 105.19 104.69 2q5a n GLY 120 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2q5a n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2q5a s ASP 121 N -3.34 6.64 0.00 1.61 2.15 -0.58 -0.99 116.67 122.16 2q5a s ASP 121 Ca 0.00 2.59 0.15 0.00 0.43 0.00 0.00 52.55 55.71 2q5a s ASP 121 Cb 0.00 -2.60 -0.08 0.00 -0.30 0.00 0.00 42.92 39.94 2q5a s ASP 121 CO 0.00 -0.77 0.72 0.18 -0.17 0.00 0.00 175.17 175.13 2q5a n LEU 122 N 3.56 1.11 0.00 -1.34 4.77 -0.39 -4.85 117.00 119.87 2q5a n LEU 122 Ca 0.12 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 2q5a n LEU 122 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2q5a n LEU 122 CO 0.61 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 2q5a n GLY 123 N 1.23 -1.66 3.87 -0.72 0.00 -1.25 -4.93 105.19 101.74 2q5a n GLY 123 Ca 0.04 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 2q5a n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5a s ALA 124 N -1.18 3.52 0.17 4.61 0.00 -1.26 -3.34 121.76 124.27 2q5a s ALA 124 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 2q5a s ALA 124 Cb 0.00 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.67 2q5a s ALA 124 CO 0.00 0.42 0.52 -0.59 0.00 0.00 0.00 175.76 176.11 2q5a s PHE 125 N -1.90 -0.28 0.47 0.00 -0.12 0.02 -4.97 117.98 111.20 2q5a s PHE 125 Ca 0.48 -0.02 0.05 0.00 -0.05 0.00 0.00 56.93 57.40 2q5a s PHE 125 Cb -0.11 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 2q5a s PHE 125 CO 0.22 -0.85 0.22 -1.54 -0.05 0.00 0.00 175.22 173.22 2q5a s SER 126 N -2.82 4.43 0.49 1.98 1.04 -1.26 -1.60 113.70 115.97 2q5a s SER 126 Ca 0.05 -1.25 -0.23 0.00 0.48 0.00 0.00 55.95 54.99 2q5a s SER 126 Cb -0.00 0.01 -0.07 0.00 0.10 0.00 0.00 66.02 66.06 2q5a s SER 126 CO -0.08 -0.79 1.33 -0.13 0.98 0.00 0.00 173.24 174.55 2q5a s ARG 127 N -4.02 3.50 0.00 4.02 0.52 -1.26 -3.57 118.95 118.14 2q5a s ARG 127 Ca 0.32 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.70 2q5a s ARG 127 Cb 0.01 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.04 2q5a s ARG 127 CO 0.18 -0.88 0.00 0.41 0.02 0.00 0.00 175.30 175.03 2q5a n GLY 128 N 0.64 0.92 0.58 -3.53 0.00 -1.26 -4.98 105.19 97.56 2q5a n GLY 128 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2q5a n GLY 128 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q5a n GLN 129 N -1.80 0.00 -3.12 1.61 6.02 -1.23 -5.10 117.38 113.77 2q5a n GLN 129 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2q5a n GLN 129 Cb 0.00 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 30.55 2q5a n GLN 129 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2q5a s MET 130 N -1.99 3.51 0.29 -1.09 -1.94 -1.26 -5.04 119.30 111.78 2q5a s MET 130 Ca 0.00 -0.14 -0.28 0.00 -1.71 0.00 0.00 55.69 53.56 2q5a s MET 130 Cb 0.00 -2.56 -0.14 0.00 2.01 0.00 0.00 34.83 34.14 2q5a s MET 130 CO 0.00 0.03 1.07 1.04 -0.01 0.00 0.00 175.02 177.14 2q5a n GLN 131 N -1.93 1.49 -0.09 2.03 6.02 -1.26 -4.63 117.38 119.01 2q5a n GLN 131 Ca -0.03 0.52 -0.08 0.00 -0.01 0.00 0.00 57.00 57.40 2q5a n GLN 131 Cb 0.56 -1.94 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 2q5a n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 2q5a h LYS 132 N 2.17 0.35 -0.13 -1.09 1.63 -1.97 -0.36 116.57 117.18 2q5a h LYS 132 Ca -0.41 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.35 2q5a h LYS 132 Cb 1.33 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.87 2q5a h LYS 132 CO 0.61 0.23 -0.01 -1.35 -3.45 0.00 0.00 179.45 175.49 2q5a h PRO 133 N 0.36 0.18 -0.14 1.90 0.11 -1.90 -0.15 132.00 132.35 2q5a h PRO 133 Ca 0.13 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 2q5a h PRO 133 Cb 0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 2q5a h PRO 133 CO -0.07 0.21 -0.19 0.35 -0.21 0.00 0.00 178.00 178.09 2q5a h PHE 134 N 0.18 0.47 -0.01 0.65 3.04 -1.54 -2.17 116.94 117.56 2q5a h PHE 134 Ca 0.04 -0.15 0.03 0.00 3.98 0.00 0.00 57.97 61.87 2q5a h PHE 134 Cb 0.14 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.52 2q5a h PHE 134 CO 0.00 0.81 -0.21 1.49 -2.02 0.00 0.00 178.31 178.37 2q5a h GLU 135 N -0.00 -0.33 -0.66 1.11 4.81 -0.74 -0.51 114.58 118.26 2q5a h GLU 135 Ca 0.02 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2q5a h GLU 135 Cb 0.75 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2q5a h GLU 135 CO 0.05 -0.22 0.39 -0.44 -0.73 0.00 0.00 179.01 178.06 2q5a h ASP 136 N -0.34 0.80 -0.37 1.04 3.32 -1.05 -0.82 116.42 119.01 2q5a h ASP 136 Ca 0.06 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2q5a h ASP 136 Cb 0.42 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2q5a h ASP 136 CO -0.20 0.64 0.21 0.00 -1.72 0.00 0.00 179.24 178.17 2q5a h ALA 137 N 1.20 0.48 -0.79 3.45 0.00 -1.28 -2.01 119.26 120.30 2q5a h ALA 137 Ca 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2q5a h ALA 137 Cb -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2q5a h ALA 137 CO -0.04 -0.00 0.51 0.77 0.00 0.00 0.00 179.25 180.49 2q5a h SER 138 N 0.48 0.92 1.60 0.00 0.02 -0.38 -1.33 113.55 114.85 2q5a h SER 138 Ca 0.13 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2q5a h SER 138 Cb 0.05 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2q5a h SER 138 CO -0.02 0.68 0.00 -0.26 -1.14 0.00 0.00 176.83 176.08 2q5a h PHE 139 N 1.07 0.00 0.00 3.45 -1.00 -1.09 -3.20 116.94 116.17 2q5a h PHE 139 Ca 0.29 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.06 2q5a h PHE 139 Cb -0.11 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.45 2q5a h PHE 139 CO -0.01 0.00 -1.04 0.00 -1.61 0.00 0.00 178.31 175.65 2q5a n ALA 140 N -1.96 2.49 -1.76 2.45 0.00 -0.77 -4.81 120.51 116.15 2q5a n ALA 140 Ca 0.04 -0.25 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 2q5a n ALA 140 Cb 0.45 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.81 2q5a n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q5a s LEU 141 N -5.38 3.99 0.57 0.00 1.43 -0.57 -4.94 118.68 113.78 2q5a s LEU 141 Ca -0.01 2.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.52 2q5a s LEU 141 Cb 0.10 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2q5a s LEU 141 CO 0.79 -1.13 0.93 -0.13 0.23 0.00 0.00 176.35 177.05 2q5a s ARG 142 N -2.70 3.40 0.14 1.70 0.52 -1.26 -4.98 118.95 115.77 2q5a s ARG 142 Ca 0.65 0.41 -0.32 0.00 -0.52 0.00 0.00 55.73 55.95 2q5a s ARG 142 Cb -0.34 -2.21 -0.12 0.00 0.52 0.00 0.00 34.95 32.80 2q5a s ARG 142 CO 0.41 -0.51 1.75 2.41 0.02 0.00 0.00 175.30 179.39 2q5a n THR 143 N -2.58 0.20 0.00 0.02 -1.04 -1.26 -1.34 114.28 108.28 2q5a n THR 143 Ca 0.04 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2q5a n THR 143 Cb 0.55 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 2q5a n THR 143 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2q5a n GLY 144 N 3.99 1.53 3.85 3.41 0.00 0.58 -5.03 105.19 113.53 2q5a n GLY 144 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2q5a n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2q5a s GLU 145 N -0.62 3.96 0.00 1.61 2.12 -0.45 -4.80 118.70 120.52 2q5a s GLU 145 Ca 0.00 0.76 0.06 0.00 0.36 0.00 0.00 54.97 56.15 2q5a s GLU 145 Cb 0.00 -2.30 -0.03 0.00 0.26 0.00 0.00 34.13 32.06 2q5a s GLU 145 CO 0.00 -0.04 -0.20 1.41 -0.54 0.00 0.00 175.26 175.89 2q5a s MET 146 N -3.55 2.18 0.85 4.30 -2.45 -1.26 -1.48 119.30 117.89 2q5a s MET 146 Ca 0.56 -0.90 -0.12 0.00 -1.25 0.00 0.00 55.69 53.98 2q5a s MET 146 Cb -0.10 -2.19 0.10 0.00 1.25 0.00 0.00 34.83 33.90 2q5a s MET 146 CO 0.24 0.57 1.17 -1.54 1.05 0.00 0.00 175.02 176.51 2q5a s SER 147 N -1.02 4.10 0.25 1.11 1.04 0.34 -4.76 113.70 114.77 2q5a s SER 147 Ca 0.12 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2q5a s SER 147 Cb -0.10 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.70 2q5a s SER 147 CO 0.02 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.68 2q5a n GLY 148 N -2.96 0.01 3.69 7.32 0.00 -0.00 -4.59 105.19 108.66 2q5a n GLY 148 Ca 0.08 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2q5a n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2q5a s PRO 149 N -0.38 4.17 -0.14 1.61 0.02 -1.26 -4.54 135.00 134.49 2q5a s PRO 149 Ca 0.00 2.43 0.01 0.00 0.02 0.00 0.00 61.00 63.47 2q5a s PRO 149 Cb 0.00 -3.56 -0.00 0.00 0.02 0.00 0.00 34.50 30.96 2q5a s PRO 149 CO 0.00 -0.77 -0.17 0.08 -0.33 0.00 0.00 177.00 175.81 2q5a s VAL 150 N 2.56 2.58 -0.18 3.83 1.01 -0.09 -4.74 120.40 125.38 2q5a s VAL 150 Ca 0.76 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2q5a s VAL 150 Cb -0.42 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2q5a s VAL 150 CO 0.34 0.53 0.11 -0.36 0.00 0.00 0.00 175.10 175.72 2q5a s PHE 151 N 0.62 3.39 0.34 5.22 0.40 -1.26 -0.47 117.98 126.21 2q5a s PHE 151 Ca -0.09 0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 2q5a s PHE 151 Cb -0.16 -2.10 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 2q5a s PHE 151 CO 0.03 0.32 0.23 0.95 0.70 0.00 0.00 175.22 177.45 2q5a s THR 152 N 0.15 0.16 0.26 0.64 -4.23 -0.47 -4.71 115.64 107.43 2q5a s THR 152 Ca 0.08 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.95 2q5a s THR 152 Cb -0.11 -2.46 0.38 0.00 1.34 0.00 0.00 72.50 71.65 2q5a s THR 152 CO -0.01 0.00 2.09 0.44 -0.54 0.00 0.00 174.62 176.61 2q5a h ASP 153 N 2.09 0.00 0.55 3.99 3.32 -1.98 -2.44 116.42 121.95 2q5a h ASP 153 Ca -0.29 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.59 2q5a h ASP 153 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2q5a h ASP 153 CO 0.43 0.00 -0.76 0.28 -1.72 0.00 0.00 179.24 177.47 2q5a h SER 154 N 0.00 0.21 0.00 6.45 0.02 -1.95 0.29 113.55 118.56 2q5a h SER 154 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2q5a h SER 154 Cb 0.20 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2q5a h SER 154 CO 0.00 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 177.19 2q5a n GLY 155 N 0.63 -0.00 3.25 -3.77 0.00 -0.92 -4.55 105.19 99.82 2q5a n GLY 155 Ca -0.03 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2q5a n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q5a s ILE 156 N -4.00 2.04 0.09 -0.61 1.01 -0.57 -1.36 121.20 117.80 2q5a s ILE 156 Ca 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 59.69 2q5a s ILE 156 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2q5a s ILE 156 CO 0.00 0.56 -0.17 -1.00 0.00 0.00 0.00 174.94 174.33 2q5a s HIS 157 N -0.02 2.57 -0.19 3.97 3.76 0.38 -0.72 115.29 125.04 2q5a s HIS 157 Ca -0.08 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.54 2q5a s HIS 157 Cb -0.15 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.12 2q5a s HIS 157 CO 0.05 0.35 -0.01 0.42 -0.85 0.00 0.00 174.74 174.70 2q5a s ILE 158 N -1.08 3.93 -0.11 0.60 1.01 -0.20 -0.91 121.20 124.45 2q5a s ILE 158 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2q5a s ILE 158 Cb -0.11 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2q5a s ILE 158 CO 0.09 0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 174.73 2q5a s ILE 159 N 0.85 3.24 -0.19 2.92 1.01 -1.26 -0.89 121.20 126.88 2q5a s ILE 159 Ca 0.00 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2q5a s ILE 159 Cb -0.14 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.00 2q5a s ILE 159 CO 0.02 0.54 -0.18 -0.22 0.00 0.00 0.00 174.94 175.10 2q5a s LEU 160 N 0.04 2.26 -0.23 2.97 2.96 0.41 -0.50 118.68 126.58 2q5a s LEU 160 Ca -0.04 -0.66 -0.25 0.00 -0.22 0.00 0.00 54.13 52.97 2q5a s LEU 160 Cb -0.14 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 2q5a s LEU 160 CO 0.04 -0.01 0.84 -0.60 -1.32 0.00 0.00 176.35 175.30 2q5a s ARG 161 N 1.30 4.20 -0.04 1.98 3.52 -0.55 -0.59 118.95 128.78 2q5a s ARG 161 Ca 0.05 0.97 0.17 0.00 -0.13 0.00 0.00 55.73 56.79 2q5a s ARG 161 Cb -0.13 -3.64 -0.27 0.00 -1.56 0.00 0.00 34.95 29.35 2q5a s ARG 161 CO -0.12 -0.50 0.36 0.25 -0.81 0.00 0.00 175.30 174.48 2q5a n THR 162 N 5.19 0.09 -1.58 4.11 -2.24 0.55 -0.30 114.28 120.11 2q5a n THR 162 Ca 0.06 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2q5a n THR 162 Cb 0.48 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2q5a n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88