#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4n s PRO 15 N 0.00 2.49 0.00 0.52 0.04 -1.26 -4.64 135.00 132.16 2q4n s PRO 15 Ca 0.00 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.33 2q4n s PRO 15 Cb 0.00 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 2q4n s PRO 15 CO 0.00 -1.53 1.90 0.28 0.04 0.00 0.00 177.00 177.69 2q4n n VAL 16 N -2.48 0.60 -1.92 -0.36 0.31 -1.26 -4.21 118.33 109.01 2q4n n VAL 16 Ca 0.12 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 63.99 2q4n n VAL 16 Cb 0.51 -2.07 0.04 0.00 -0.91 0.00 0.00 33.84 31.41 2q4n n VAL 16 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2q4n s HIS 17 N 3.87 2.34 0.50 3.52 2.46 -1.24 -4.63 115.29 122.10 2q4n s HIS 17 Ca 0.89 1.52 0.27 0.00 0.47 0.00 0.00 55.06 58.22 2q4n s HIS 17 Cb -0.56 -3.49 1.36 0.00 -0.13 0.00 0.00 32.58 29.76 2q4n s HIS 17 CO 0.45 -2.30 1.87 -1.35 -2.47 0.00 0.00 174.74 170.94 2q4n h PRO 18 N 0.70 0.12 0.00 2.88 0.11 -1.91 0.22 132.00 134.12 2q4n h PRO 18 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2q4n h PRO 18 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2q4n h PRO 18 CO 0.54 0.08 0.00 0.74 -0.21 0.00 0.00 178.00 179.15 2q4n h PHE 19 N 0.13 0.00 0.00 0.65 -1.00 -1.90 -3.26 116.94 111.55 2q4n h PHE 19 Ca 0.45 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 61.09 2q4n h PHE 19 Cb 1.58 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.12 2q4n h PHE 19 CO -0.00 0.00 -1.59 0.28 -1.61 0.00 0.00 178.31 175.39 2q4n n VAL 20 N -2.78 0.91 -0.07 -0.55 0.31 0.18 -4.46 118.33 111.88 2q4n n VAL 20 Ca 0.03 -0.66 0.02 0.00 -0.01 0.00 0.00 64.34 63.73 2q4n n VAL 20 Cb 0.42 -0.50 0.34 0.00 -0.91 0.00 0.00 33.84 33.19 2q4n n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q4n h ALA 21 N 1.56 1.57 0.00 3.52 0.00 -0.73 -1.71 119.26 123.46 2q4n h ALA 21 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2q4n h ALA 21 Cb 1.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2q4n h ALA 21 CO 0.03 0.37 0.00 -2.30 0.00 0.00 0.00 179.25 177.35 2q4n n PRO 22 N -4.42 0.15 -0.62 0.00 -0.02 -1.26 -2.18 135.00 126.64 2q4n n PRO 22 Ca 0.04 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 62.03 2q4n n PRO 22 Cb 0.08 -1.82 0.29 0.00 -0.02 0.00 0.00 33.50 32.03 2q4n n PRO 22 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2q4n n LEU 23 N -2.11 4.48 0.10 2.45 4.77 -0.65 -4.76 117.00 121.29 2q4n n LEU 23 Ca 0.01 -3.09 0.11 0.00 -0.03 0.00 0.00 56.01 53.02 2q4n n LEU 23 Cb 0.17 -0.60 0.46 0.00 -2.33 0.00 0.00 43.42 41.12 2q4n n LEU 23 CO 0.16 0.73 0.85 -1.54 -1.33 0.00 0.00 177.39 176.25 2q4n n SER 24 N -0.33 0.57 0.00 -1.43 3.41 -0.93 -2.27 113.62 112.65 2q4n n SER 24 Ca 0.26 0.62 0.03 0.00 -0.26 0.00 0.00 58.87 59.52 2q4n n SER 24 Cb 1.02 -0.75 0.20 0.00 -0.26 0.00 0.00 64.21 64.42 2q4n n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q4n n TYR 25 N -2.11 0.00 -0.01 7.33 0.18 -1.26 -1.79 117.16 119.50 2q4n n TYR 25 Ca 0.03 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.87 2q4n n TYR 25 Cb 0.25 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.11 2q4n n TYR 25 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2q4n n LEU 26 N -0.86 0.00 -4.63 -3.48 4.77 -0.96 -5.01 117.00 106.83 2q4n n LEU 26 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 2q4n n LEU 26 Cb 0.02 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2q4n n LEU 26 CO 0.04 0.02 1.26 -0.76 -1.33 0.00 0.00 177.39 176.62 2q4n s LEU 27 N -4.00 3.93 0.00 2.23 1.43 -0.74 -4.28 118.68 117.25 2q4n s LEU 27 Ca -0.05 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2q4n s LEU 27 Cb 0.08 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2q4n s LEU 27 CO 0.55 -1.14 0.00 0.61 0.23 0.00 0.00 176.35 176.60 2q4n n GLY 28 N 4.42 -0.13 3.45 -3.19 0.00 0.21 -4.96 105.19 104.98 2q4n n GLY 28 Ca 0.17 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 2q4n n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q4n s THR 29 N -2.51 2.77 0.03 2.61 2.01 -1.26 -0.80 115.64 118.50 2q4n s THR 29 Ca 0.00 -1.11 0.00 0.00 0.31 0.00 0.00 61.69 60.89 2q4n s THR 29 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2q4n s THR 29 CO 0.00 0.40 -0.04 0.26 -0.69 0.00 0.00 174.62 174.54 2q4n s TRP 30 N -0.87 0.43 -0.14 4.92 0.52 -0.26 -1.86 118.94 121.68 2q4n s TRP 30 Ca 0.14 -0.64 -0.10 0.00 0.02 0.00 0.00 56.10 55.52 2q4n s TRP 30 Cb -0.10 -0.29 0.04 0.00 -1.15 0.00 0.00 33.47 31.97 2q4n s TRP 30 CO 0.04 -0.20 0.35 0.50 0.02 0.00 0.00 176.95 177.66 2q4n s ARG 31 N -2.05 0.36 0.00 4.98 3.52 -0.63 -1.77 118.95 123.36 2q4n s ARG 31 Ca -0.09 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 2q4n s ARG 31 Cb -0.06 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 2q4n s ARG 31 CO -0.02 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 2q4n n GLY 32 N 3.56 2.96 3.31 8.12 0.00 0.24 -1.33 105.19 122.04 2q4n n GLY 32 Ca -0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2q4n n GLY 32 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2q4n s GLN 33 N 4.78 1.05 0.34 1.61 -2.07 -0.94 0.91 119.66 125.34 2q4n s GLN 33 Ca 0.00 -0.75 0.01 0.00 -1.82 0.00 0.00 55.36 52.81 2q4n s GLN 33 Cb 0.00 0.45 -0.00 0.00 -1.09 0.00 0.00 33.01 32.37 2q4n s GLN 33 CO 0.00 -0.40 0.41 0.41 -1.32 0.00 0.00 175.29 174.39 2q4n n GLY 34 N -0.21 2.40 3.28 2.60 0.00 0.19 0.54 105.19 113.99 2q4n n GLY 34 Ca -0.16 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 2q4n n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q4n s GLU 35 N -2.97 1.55 -0.08 1.61 2.02 0.31 -1.04 118.70 120.11 2q4n s GLU 35 Ca 0.32 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.35 2q4n s GLU 35 Cb 0.00 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.56 2q4n s GLU 35 CO 0.23 0.43 -0.16 0.20 0.02 0.00 0.00 175.26 175.98 2q4n s GLY 36 N -1.15 1.00 0.18 -1.39 0.00 0.21 -1.37 107.32 104.80 2q4n s GLY 36 Ca 0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 2q4n s GLY 36 CO 0.02 -0.01 0.29 -1.83 0.00 0.00 0.00 173.10 171.57 2q4n s GLU 37 N 0.61 1.20 0.00 2.90 -1.05 0.65 -0.81 118.70 122.20 2q4n s GLU 37 Ca -0.15 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 2q4n s GLU 37 Cb -0.16 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2q4n s GLU 37 CO 0.05 -0.44 0.00 0.98 0.95 0.00 0.00 175.26 176.79 2q4n n TYR 38 N -0.24 0.00 -0.10 4.83 9.36 -1.26 -4.34 117.16 125.41 2q4n n TYR 38 Ca -0.06 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.15 2q4n n TYR 38 Cb 0.63 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.35 2q4n n TYR 38 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2q4n n PRO 39 N -0.15 -0.07 -0.20 2.98 -0.02 -1.26 0.07 135.00 136.35 2q4n n PRO 39 Ca 0.00 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 2q4n n PRO 39 Cb 0.00 -0.61 0.14 0.00 -0.02 0.00 0.00 33.50 33.01 2q4n n PRO 39 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2q4n n THR 40 N -4.39 0.57 -4.12 3.45 -2.24 -1.26 -4.93 114.28 101.37 2q4n n THR 40 Ca 0.02 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 2q4n n THR 40 Cb 0.10 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.28 2q4n n THR 40 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2q4n s ILE 41 N -1.63 0.22 0.46 2.28 -4.36 0.11 -5.16 121.20 113.12 2q4n s ILE 41 Ca 0.20 -1.86 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 2q4n s ILE 41 Cb 0.12 -1.74 -0.06 0.00 1.25 0.00 0.00 42.46 42.03 2q4n s ILE 41 CO 0.12 -0.78 0.83 -2.16 0.24 0.00 0.00 174.94 173.19 2q4n s PRO 42 N -3.96 3.74 0.61 0.37 0.04 -1.26 -4.27 135.00 130.27 2q4n s PRO 42 Ca 0.14 0.51 -0.19 0.00 0.04 0.00 0.00 61.00 61.50 2q4n s PRO 42 Cb 0.08 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2q4n s PRO 42 CO -0.05 -0.15 1.25 -1.54 0.04 0.00 0.00 177.00 176.55 2q4n s SER 43 N -3.44 4.98 0.09 6.66 1.04 -1.26 -4.77 113.70 117.01 2q4n s SER 43 Ca 0.52 2.50 -0.15 0.00 0.48 0.00 0.00 55.95 59.30 2q4n s SER 43 Cb -0.10 -2.61 0.03 0.00 0.10 0.00 0.00 66.02 63.44 2q4n s SER 43 CO 0.36 -1.74 0.36 0.72 0.98 0.00 0.00 173.24 173.92 2q4n s PHE 44 N -1.50 -0.15 0.18 5.02 -0.71 0.01 -4.98 117.98 115.86 2q4n s PHE 44 Ca 0.79 -0.11 0.09 0.00 -1.04 0.00 0.00 56.93 56.66 2q4n s PHE 44 Cb -0.34 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 2q4n s PHE 44 CO 0.36 -0.63 -0.13 1.03 -1.34 0.00 0.00 175.22 174.51 2q4n s ARG 45 N -3.43 1.93 0.04 1.99 0.52 -1.26 -0.62 118.95 118.12 2q4n s ARG 45 Ca 0.01 -1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 53.76 2q4n s ARG 45 Cb 0.02 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.42 2q4n s ARG 45 CO -0.09 0.43 0.27 1.52 0.02 0.00 0.00 175.30 177.44 2q4n s TYR 46 N -1.70 -0.06 0.33 -0.53 1.13 -0.21 -4.26 117.35 112.05 2q4n s TYR 46 Ca 0.24 -0.08 0.03 0.00 -1.41 0.00 0.00 57.07 55.85 2q4n s TYR 46 Cb -0.09 0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.81 2q4n s TYR 46 CO 0.14 -0.47 0.50 0.20 -2.51 0.00 0.00 175.55 173.41 2q4n s GLY 47 N -1.99 1.41 -0.04 5.49 0.00 -0.86 0.55 107.32 111.89 2q4n s GLY 47 Ca -0.06 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.45 2q4n s GLY 47 CO -0.03 -1.10 0.12 1.85 0.00 0.00 0.00 173.10 173.95 2q4n s GLU 48 N -4.24 0.22 -0.10 2.90 2.12 0.26 -2.40 118.70 117.47 2q4n s GLU 48 Ca 0.41 0.04 -0.00 0.00 0.36 0.00 0.00 54.97 55.78 2q4n s GLU 48 Cb -0.09 0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.42 2q4n s GLU 48 CO 0.33 -0.04 -0.06 -2.00 -0.54 0.00 0.00 175.26 172.95 2q4n s GLU 49 N -0.27 1.35 -0.06 4.30 2.12 -0.75 0.82 118.70 126.21 2q4n s GLU 49 Ca -0.03 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.14 2q4n s GLU 49 Cb -0.03 -1.43 -0.00 0.00 0.26 0.00 0.00 34.13 32.94 2q4n s GLU 49 CO 0.00 -0.24 -0.20 0.42 -0.54 0.00 0.00 175.26 174.71 2q4n s ILE 50 N 1.62 1.69 -0.06 -3.70 1.01 -0.73 -2.03 121.20 119.00 2q4n s ILE 50 Ca 0.02 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.88 2q4n s ILE 50 Cb -0.13 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 2q4n s ILE 50 CO -0.06 0.48 -0.21 -0.60 0.00 0.00 0.00 174.94 174.55 2q4n s ARG 51 N 0.11 2.58 -0.08 2.79 3.52 -0.05 -1.10 118.95 126.73 2q4n s ARG 51 Ca -0.08 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2q4n s ARG 51 Cb -0.14 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 2q4n s ARG 51 CO 0.04 0.46 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.81 2q4n s PHE 52 N -0.32 2.81 0.17 5.12 0.08 0.02 -2.02 117.98 123.83 2q4n s PHE 52 Ca 0.02 -0.21 -0.16 0.00 0.12 0.00 0.00 56.93 56.70 2q4n s PHE 52 Cb -0.13 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 2q4n s PHE 52 CO 0.02 0.14 0.46 -1.54 -0.10 0.00 0.00 175.22 174.20 2q4n s SER 53 N -0.48 -0.23 0.06 1.36 1.04 -1.00 -0.62 113.70 113.82 2q4n s SER 53 Ca 0.06 -0.46 -0.13 0.00 0.48 0.00 0.00 55.95 55.91 2q4n s SER 53 Cb -0.12 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2q4n s SER 53 CO 0.02 -0.97 0.29 -1.38 0.98 0.00 0.00 173.24 172.18 2q4n s HIS 54 N -3.86 -0.07 -0.04 5.02 -3.43 -1.26 0.80 115.29 112.45 2q4n s HIS 54 Ca 0.08 -0.13 0.06 0.00 -0.80 0.00 0.00 55.06 54.27 2q4n s HIS 54 Cb 0.00 0.08 0.09 0.00 -1.43 0.00 0.00 32.58 31.32 2q4n s HIS 54 CO -0.06 -0.52 1.01 -1.13 -2.00 0.00 0.00 174.74 172.04 2q4n n SER 55 N 0.44 1.85 0.00 7.38 3.41 -1.26 -4.95 113.62 120.50 2q4n n SER 55 Ca -0.18 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.16 2q4n n SER 55 Cb 0.60 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 2q4n n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4n n GLY 56 N -0.74 1.85 3.80 5.00 0.00 -1.26 -4.72 105.19 109.13 2q4n n GLY 56 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2q4n n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4n s LYS 57 N -0.13 1.37 -0.94 1.61 -0.14 -1.26 -3.71 119.74 116.53 2q4n s LYS 57 Ca 0.00 0.33 -0.07 0.00 -1.36 0.00 0.00 55.97 54.87 2q4n s LYS 57 Cb 0.00 -1.86 -0.07 0.00 -1.68 0.00 0.00 37.83 34.22 2q4n s LYS 57 CO 0.00 -2.05 2.99 -0.35 -0.76 0.00 0.00 175.35 175.18 2q4n n PRO 58 N -3.67 3.24 -3.86 -1.68 -0.04 -1.26 -4.34 135.00 123.40 2q4n n PRO 58 Ca 0.07 -2.17 -0.11 0.00 -0.04 0.00 0.00 63.50 61.24 2q4n n PRO 58 Cb 0.59 -2.45 -0.11 0.00 -0.04 0.00 0.00 33.50 31.50 2q4n n PRO 58 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2q4n s VAL 59 N 0.45 0.06 -0.16 0.52 1.01 -1.26 -4.26 120.40 116.75 2q4n s VAL 59 Ca 0.64 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2q4n s VAL 59 Cb 0.25 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.28 2q4n s VAL 59 CO -0.08 -0.26 -0.18 -0.63 0.00 0.00 0.00 175.10 173.95 2q4n s ILE 60 N -0.92 2.32 0.72 2.22 1.01 -0.14 -4.64 121.20 121.76 2q4n s ILE 60 Ca -0.10 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 2q4n s ILE 60 Cb -0.06 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.48 2q4n s ILE 60 CO 0.01 0.53 1.15 0.00 0.00 0.00 0.00 174.94 176.63 2q4n s ALA 61 N 1.02 2.23 -0.14 9.38 0.00 0.24 -1.39 121.76 133.10 2q4n s ALA 61 Ca -0.02 0.65 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 2q4n s ALA 61 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.65 2q4n s ALA 61 CO -0.05 -1.67 0.31 -0.47 0.00 0.00 0.00 175.76 173.88 2q4n s TYR 62 N -2.28 -0.49 -0.11 0.00 5.04 -0.65 -2.38 117.35 116.48 2q4n s TYR 62 Ca 0.69 1.07 -0.06 0.00 -2.44 0.00 0.00 57.07 56.33 2q4n s TYR 62 Cb -0.24 0.10 0.04 0.00 0.35 0.00 0.00 41.96 42.21 2q4n s TYR 62 CO 0.45 -0.34 0.26 0.95 -1.34 0.00 0.00 175.55 175.54 2q4n s THR 63 N 1.95 -0.03 0.04 4.34 -4.23 -0.86 0.52 115.64 117.36 2q4n s THR 63 Ca -0.04 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2q4n s THR 63 Cb -0.11 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 2q4n s THR 63 CO -0.10 0.04 -0.00 -1.58 -0.54 0.00 0.00 174.62 172.44 2q4n s GLN 64 N 1.01 0.49 -0.04 3.99 -0.44 0.36 -0.87 119.66 124.17 2q4n s GLN 64 Ca -0.07 -0.88 -0.06 0.00 -2.50 0.00 0.00 55.36 51.85 2q4n s GLN 64 Cb -0.08 0.18 0.01 0.00 -1.64 0.00 0.00 33.01 31.47 2q4n s GLN 64 CO -0.07 -0.10 0.14 -1.59 0.50 0.00 0.00 175.29 174.17 2q4n s LYS 65 N -2.68 0.26 0.23 1.67 -2.85 -0.86 -2.08 119.74 113.43 2q4n s LYS 65 Ca -0.05 0.01 0.10 0.00 -1.00 0.00 0.00 55.97 55.04 2q4n s LYS 65 Cb -0.01 0.12 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 2q4n s LYS 65 CO -0.05 -0.05 -0.11 0.95 0.10 0.00 0.00 175.35 176.19 2q4n s THR 66 N -0.38 2.98 0.15 3.79 -4.23 0.28 -1.80 115.64 116.43 2q4n s THR 66 Ca -0.05 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.40 2q4n s THR 66 Cb -0.03 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 71.28 2q4n s THR 66 CO 0.01 -0.26 0.28 -1.66 -0.54 0.00 0.00 174.62 172.45 2q4n s TRP 67 N -2.07 0.27 0.15 3.99 -2.14 -1.01 -3.47 118.94 114.65 2q4n s TRP 67 Ca 0.27 -0.64 -0.31 0.00 2.66 0.00 0.00 56.10 58.08 2q4n s TRP 67 Cb -0.07 -0.01 -0.09 0.00 -3.10 0.00 0.00 33.47 30.20 2q4n s TRP 67 CO 0.16 -0.69 1.49 0.15 -2.66 0.00 0.00 176.95 175.40 2q4n s LYS 68 N -3.93 4.26 0.05 3.25 1.02 0.14 -2.03 119.74 122.50 2q4n s LYS 68 Ca 0.13 2.24 -0.31 0.00 0.02 0.00 0.00 55.97 58.05 2q4n s LYS 68 Cb 0.03 -3.19 -0.18 0.00 -0.52 0.00 0.00 37.83 33.97 2q4n s LYS 68 CO -0.04 -0.53 1.44 -0.07 -0.92 0.00 0.00 175.35 175.23 2q4n h LEU 69 N 6.74 -0.76 0.00 3.17 3.38 -1.90 0.16 115.31 126.09 2q4n h LEU 69 Ca -0.42 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2q4n h LEU 69 Cb 1.21 0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2q4n h LEU 69 CO 0.89 -0.47 0.03 -1.84 0.09 0.00 0.00 178.44 177.15 2q4n n GLU 70 N -5.43 0.00 0.00 1.13 0.00 -1.26 -3.19 120.64 111.88 2q4n n GLU 70 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2q4n n GLU 70 Cb 0.38 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.28 2q4n n GLU 70 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2q4n n SER 71 N -1.13 0.00 0.00 -1.84 3.41 -1.21 -5.05 113.62 107.80 2q4n n SER 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2q4n n SER 71 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2q4n n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4n n GLY 72 N 0.10 0.70 3.71 5.00 0.00 0.54 -4.99 105.19 110.25 2q4n n GLY 72 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2q4n n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4n n ALA 73 N 0.51 2.32 -0.72 4.61 0.00 -1.26 -4.49 120.51 121.47 2q4n n ALA 73 Ca 0.00 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 2q4n n ALA 73 Cb 0.00 -2.45 0.15 0.00 0.00 0.00 0.00 19.45 17.15 2q4n n ALA 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2q4n n PRO 74 N 3.20 -0.86 -2.13 0.00 -0.04 -1.26 -0.68 135.00 133.23 2q4n n PRO 74 Ca 0.14 -0.21 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 2q4n n PRO 74 Cb 0.34 -1.89 0.06 0.00 -0.04 0.00 0.00 33.50 31.96 2q4n n PRO 74 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2q4n s HIS 76 N -2.38 3.08 0.00 0.54 3.76 -1.23 -4.81 115.29 114.26 2q4n s HIS 76 Ca 0.59 0.66 0.07 0.00 -0.15 0.00 0.00 55.06 56.23 2q4n s HIS 76 Cb -0.19 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.35 2q4n s HIS 76 CO 0.66 -1.30 -0.22 0.00 -0.85 0.00 0.00 174.74 173.03 2q4n s ALA 77 N -3.27 2.39 0.07 -1.40 0.00 -1.26 -0.55 121.76 117.74 2q4n s ALA 77 Ca 0.59 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2q4n s ALA 77 Cb -0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2q4n s ALA 77 CO 0.47 0.55 -0.06 -1.83 0.00 0.00 0.00 175.76 174.89 2q4n s GLU 78 N -0.99 0.69 -0.04 0.00 -1.05 -0.88 -1.24 118.70 115.19 2q4n s GLU 78 Ca 0.12 -1.15 -0.14 0.00 -0.15 0.00 0.00 54.97 53.66 2q4n s GLU 78 Cb -0.10 -0.11 0.02 0.00 -0.44 0.00 0.00 34.13 33.50 2q4n s GLU 78 CO 0.02 -0.03 0.30 -1.54 0.95 0.00 0.00 175.26 174.96 2q4n s SER 79 N -2.62 -0.21 0.00 0.83 1.04 -0.58 -0.49 113.70 111.66 2q4n s SER 79 Ca 0.05 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.69 2q4n s SER 79 Cb 0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2q4n s SER 79 CO -0.05 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2q4n n GLY 80 N 1.69 -0.61 2.96 7.32 0.00 0.18 -1.43 105.19 115.31 2q4n n GLY 80 Ca -0.20 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2q4n n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q4n s TYR 81 N -3.00 -0.17 -0.15 1.61 2.02 -0.33 -1.64 117.35 115.70 2q4n s TYR 81 Ca 0.00 0.45 -0.05 0.00 -0.37 0.00 0.00 57.07 57.11 2q4n s TYR 81 Cb 0.00 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.50 2q4n s TYR 81 CO 0.00 -0.13 0.00 -0.06 -1.57 0.00 0.00 175.55 173.79 2q4n s PHE 82 N 0.77 3.13 -0.57 2.71 0.40 -0.48 -0.76 117.98 123.18 2q4n s PHE 82 Ca -0.06 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.23 2q4n s PHE 82 Cb -0.08 -1.97 0.16 0.00 0.51 0.00 0.00 43.02 41.64 2q4n s PHE 82 CO -0.04 0.12 0.39 1.03 0.70 0.00 0.00 175.22 177.42 2q4n s ARG 83 N 0.15 1.83 0.48 0.44 0.52 0.37 -0.97 118.95 121.77 2q4n s ARG 83 Ca 0.01 -2.74 -0.14 0.00 -0.52 0.00 0.00 55.73 52.34 2q4n s ARG 83 Cb -0.13 -2.72 -0.07 0.00 0.52 0.00 0.00 34.95 32.54 2q4n s ARG 83 CO 0.02 -1.27 0.91 -1.25 0.02 0.00 0.00 175.30 173.72 2q4n s PRO 84 N -0.66 3.88 0.07 3.54 0.04 -1.26 -2.23 135.00 138.38 2q4n s PRO 84 Ca 0.25 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2q4n s PRO 84 Cb -0.08 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2q4n s PRO 84 CO -0.13 -0.19 -0.10 1.03 0.04 0.00 0.00 177.00 177.65 2q4n s ARG 85 N -4.00 0.73 0.00 4.56 0.52 -0.21 -4.80 118.95 115.74 2q4n s ARG 85 Ca 0.56 -0.97 0.09 0.00 -0.52 0.00 0.00 55.73 54.89 2q4n s ARG 85 Cb -0.10 -0.51 0.53 0.00 0.52 0.00 0.00 34.95 35.39 2q4n s ARG 85 CO 0.32 0.09 1.02 -0.35 0.02 0.00 0.00 175.30 176.39 2q4n n PRO 86 N 1.03 0.26 -0.10 3.54 -0.04 -1.26 -2.09 135.00 136.34 2q4n n PRO 86 Ca -0.20 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 2q4n n PRO 86 Cb 0.56 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.85 2q4n n PRO 86 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2q4n n ASP 87 N -1.05 1.85 0.00 3.54 5.75 -1.26 -4.95 116.55 120.43 2q4n n ASP 87 Ca 0.06 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2q4n n ASP 87 Cb 0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2q4n n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q4n n GLY 88 N 1.15 0.85 3.93 6.12 0.00 -0.89 -5.05 105.19 111.30 2q4n n GLY 88 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2q4n n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q4n s SER 89 N -2.77 5.04 -0.29 1.61 0.01 -1.25 -0.68 113.70 115.37 2q4n s SER 89 Ca 0.00 0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.54 2q4n s SER 89 Cb 0.00 -1.25 0.18 0.00 0.21 0.00 0.00 66.02 65.16 2q4n s SER 89 CO 0.00 -1.44 1.29 -0.51 0.41 0.00 0.00 173.24 172.99 2q4n s ILE 90 N -3.16 0.00 0.27 1.44 2.07 -1.22 -1.05 121.20 119.55 2q4n s ILE 90 Ca 0.58 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.93 2q4n s ILE 90 Cb -0.11 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.44 2q4n s ILE 90 CO 0.45 0.00 -0.13 -1.83 -1.91 0.00 0.00 174.94 171.51 2q4n s GLU 91 N 0.43 1.90 -0.04 3.50 -1.05 -0.95 -2.26 118.70 120.23 2q4n s GLU 91 Ca 0.01 -1.63 -0.02 0.00 -0.15 0.00 0.00 54.97 53.19 2q4n s GLU 91 Cb -0.04 -1.92 0.03 0.00 -0.44 0.00 0.00 34.13 31.76 2q4n s GLU 91 CO -0.13 0.35 0.09 0.08 0.95 0.00 0.00 175.26 176.60 2q4n s VAL 92 N -2.41 -0.04 -0.05 1.83 1.01 0.14 -0.48 120.40 120.41 2q4n s VAL 92 Ca 0.30 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.46 2q4n s VAL 92 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2q4n s VAL 92 CO 0.17 0.06 -0.18 0.68 0.00 0.00 0.00 175.10 175.82 2q4n s VAL 93 N 0.80 2.75 -0.01 2.92 -7.23 0.06 -1.67 120.40 118.02 2q4n s VAL 93 Ca -0.06 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2q4n s VAL 93 Cb -0.09 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2q4n s VAL 93 CO -0.03 0.58 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.67 2q4n s ILE 94 N -0.57 0.34 -0.09 -0.62 1.01 -0.28 -1.18 121.20 119.81 2q4n s ILE 94 Ca 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2q4n s ILE 94 Cb -0.11 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 2q4n s ILE 94 CO 0.01 0.11 -0.17 0.00 0.00 0.00 0.00 174.94 174.89 2q4n s ALA 95 N 0.07 2.49 0.09 9.38 0.00 -0.51 -1.12 121.76 132.16 2q4n s ALA 95 Ca -0.00 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.07 2q4n s ALA 95 Cb -0.04 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2q4n s ALA 95 CO -0.00 0.36 -0.12 -0.65 0.00 0.00 0.00 175.76 175.35 2q4n s GLN 96 N -0.02 2.10 0.65 0.00 -0.21 -0.64 -1.53 119.66 120.00 2q4n s GLN 96 Ca -0.05 -1.02 0.40 0.00 0.02 0.00 0.00 55.36 54.71 2q4n s GLN 96 Cb -0.14 -2.27 2.24 0.00 1.00 0.00 0.00 33.01 33.83 2q4n s GLN 96 CO 0.04 0.52 2.33 0.66 -2.12 0.00 0.00 175.29 176.72 2q4n h SER 97 N 3.83 0.00 1.15 5.90 4.64 -1.49 -0.35 113.55 127.24 2q4n h SER 97 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2q4n h SER 97 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2q4n h SER 97 CO 0.51 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.18 2q4n h THR 98 N 0.00 0.00 0.00 2.95 1.35 -1.96 -3.47 112.91 111.77 2q4n h THR 98 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2q4n h THR 98 Cb 0.02 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2q4n h THR 98 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2q4n n GLY 99 N 0.44 1.09 3.57 5.82 0.00 -0.14 -5.11 105.19 110.86 2q4n n GLY 99 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2q4n n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4n s LEU 100 N 0.00 2.98 0.29 0.99 1.02 -1.26 -4.69 118.68 118.02 2q4n s LEU 100 Ca 0.00 -0.56 0.07 0.00 0.02 0.00 0.00 54.13 53.66 2q4n s LEU 100 Cb 0.00 -1.68 -0.06 0.00 0.02 0.00 0.00 46.19 44.47 2q4n s LEU 100 CO 0.00 0.11 -0.05 0.68 0.02 0.00 0.00 176.35 177.11 2q4n s VAL 101 N -1.66 1.68 -0.11 -1.59 -7.23 -1.17 -1.62 120.40 108.71 2q4n s VAL 101 Ca 0.25 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.17 2q4n s VAL 101 Cb -0.09 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.37 2q4n s VAL 101 CO 0.15 -0.26 0.35 -1.83 -0.31 0.00 0.00 175.10 173.20 2q4n s GLU 102 N -3.73 0.46 -0.36 4.82 -1.05 -0.27 -0.61 118.70 117.96 2q4n s GLU 102 Ca 0.30 0.36 -0.06 0.00 -0.15 0.00 0.00 54.97 55.42 2q4n s GLU 102 Cb 0.04 0.22 0.06 0.00 -0.44 0.00 0.00 34.13 34.01 2q4n s GLU 102 CO 0.13 -0.08 0.14 0.08 0.95 0.00 0.00 175.26 176.48 2q4n s VAL 103 N -0.11 3.74 -0.04 1.83 1.01 -0.87 -1.12 120.40 124.84 2q4n s VAL 103 Ca -0.03 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.45 2q4n s VAL 103 Cb -0.03 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2q4n s VAL 103 CO 0.01 -0.30 0.48 -1.10 0.00 0.00 0.00 175.10 174.19 2q4n s GLN 104 N 1.36 4.20 0.08 2.72 -1.52 -0.67 0.06 119.66 125.89 2q4n s GLN 104 Ca 0.00 0.51 0.03 0.00 -1.95 0.00 0.00 55.36 53.96 2q4n s GLN 104 Cb -0.21 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.21 2q4n s GLN 104 CO 0.01 0.40 -0.10 0.21 -0.25 0.00 0.00 175.29 175.57 2q4n s LYS 105 N -0.20 0.79 0.00 2.91 2.20 0.15 -0.68 119.74 124.91 2q4n s LYS 105 Ca 0.26 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 2q4n s LYS 105 Cb -0.17 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.65 2q4n s LYS 105 CO 0.13 0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2q4n n GLY 106 N 0.75 -0.98 3.18 5.54 0.00 -0.96 0.37 105.19 113.09 2q4n n GLY 106 Ca -0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2q4n n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q4n s THR 107 N -4.00 0.12 0.13 2.61 -4.23 -0.34 -3.42 115.64 106.51 2q4n s THR 107 Ca 0.00 -1.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.55 2q4n s THR 107 Cb 0.00 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 2q4n s THR 107 CO 0.00 -0.56 -0.13 -0.72 -0.54 0.00 0.00 174.62 172.67 2q4n s TYR 108 N -2.97 1.39 -0.04 3.99 -0.85 0.15 0.17 117.35 119.19 2q4n s TYR 108 Ca -0.02 -0.59 -0.01 0.00 -0.52 0.00 0.00 57.07 55.92 2q4n s TYR 108 Cb 0.01 -0.72 0.03 0.00 0.38 0.00 0.00 41.96 41.66 2q4n s TYR 108 CO -0.06 0.15 0.06 1.21 -1.52 0.00 0.00 175.55 175.39 2q4n s ASN 109 N -2.63 0.65 0.13 -0.18 3.84 -0.62 -4.74 114.94 111.39 2q4n s ASN 109 Ca 0.11 0.10 -0.14 0.00 0.21 0.00 0.00 52.86 53.14 2q4n s ASN 109 Cb -0.03 -0.05 -0.01 0.00 -0.55 0.00 0.00 41.25 40.60 2q4n s ASN 109 CO 0.03 -0.20 1.57 0.58 -2.79 0.00 0.00 177.10 176.29 2q4n h VAL 110 N 6.36 1.26 -0.34 -5.21 2.07 -1.92 -1.73 116.25 116.73 2q4n h VAL 110 Ca -0.26 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.13 2q4n h VAL 110 Cb 1.12 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2q4n h VAL 110 CO 0.28 0.35 -0.17 0.44 0.02 0.00 0.00 177.57 178.49 2q4n h ASP 111 N 0.58 0.62 0.13 0.57 3.32 -1.97 -2.62 116.42 117.05 2q4n h ASP 111 Ca 0.12 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2q4n h ASP 111 Cb 0.50 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2q4n h ASP 111 CO 0.02 0.81 -0.21 -0.62 -1.72 0.00 0.00 179.24 177.52 2q4n n GLU 112 N -4.15 1.15 -3.90 3.56 1.02 -1.21 -4.95 120.64 112.17 2q4n n GLU 112 Ca 0.00 -0.73 -0.29 0.00 -0.02 0.00 0.00 57.16 56.12 2q4n n GLU 112 Cb 0.38 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.33 2q4n n GLU 112 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2q4n n GLN 113 N -0.28 -5.13 -4.42 3.49 1.13 -0.67 -4.77 117.38 106.73 2q4n n GLN 113 Ca 0.14 0.58 -0.22 0.00 -1.94 0.00 0.00 57.00 55.55 2q4n n GLN 113 Cb 0.37 -5.35 -0.10 0.00 0.11 0.00 0.00 30.24 25.27 2q4n n GLN 113 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2q4n s SER 114 N -3.57 3.15 -0.15 1.08 1.04 -1.12 -0.71 113.70 113.42 2q4n s SER 114 Ca 0.51 -1.04 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 2q4n s SER 114 Cb -0.26 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.68 2q4n s SER 114 CO 0.84 -0.07 0.02 -0.63 0.98 0.00 0.00 173.24 174.38 2q4n s ILE 115 N -2.72 0.48 -0.12 -1.02 1.01 -1.14 -1.58 121.20 116.11 2q4n s ILE 115 Ca 0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2q4n s ILE 115 Cb -0.03 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 2q4n s ILE 115 CO 0.12 -0.05 -0.07 -0.54 0.00 0.00 0.00 174.94 174.39 2q4n s LYS 116 N 1.89 3.27 -0.03 2.79 1.02 0.46 -2.38 119.74 126.77 2q4n s LYS 116 Ca 0.01 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 2q4n s LYS 116 Cb -0.15 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2q4n s LYS 116 CO -0.07 0.39 0.10 -0.51 -0.92 0.00 0.00 175.35 174.34 2q4n s LEU 117 N -0.07 1.65 0.01 3.17 1.43 -0.98 -1.20 118.68 122.69 2q4n s LEU 117 Ca 0.00 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2q4n s LEU 117 Cb -0.13 0.37 -0.01 0.00 0.03 0.00 0.00 46.19 46.45 2q4n s LEU 117 CO 0.03 -0.10 -0.07 -0.54 0.23 0.00 0.00 176.35 175.90 2q4n s LYS 118 N -0.23 0.54 0.02 1.70 1.02 1.15 -2.93 119.74 121.01 2q4n s LYS 118 Ca -0.03 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 2q4n s LYS 118 Cb -0.02 -0.48 -0.05 0.00 -0.52 0.00 0.00 37.83 36.76 2q4n s LYS 118 CO 0.00 0.12 1.29 -1.54 -0.92 0.00 0.00 175.35 174.30 2q4n s SER 119 N -0.57 6.97 0.10 2.83 1.04 -1.05 0.29 113.70 123.32 2q4n s SER 119 Ca -0.01 2.03 -0.13 0.00 0.48 0.00 0.00 55.95 58.33 2q4n s SER 119 Cb -0.05 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 2q4n s SER 119 CO 0.00 -0.60 1.32 -0.78 0.98 0.00 0.00 173.24 174.16 2q4n h ASP 120 N 7.29 0.94 -4.97 7.02 1.82 -0.72 -3.47 116.42 124.33 2q4n h ASP 120 Ca -0.39 -0.61 -0.12 0.00 -0.39 0.00 0.00 57.03 55.52 2q4n h ASP 120 Cb 1.19 -0.28 -0.20 0.00 0.68 0.00 0.00 39.33 40.72 2q4n h ASP 120 CO 0.86 1.40 -0.33 -0.76 -1.61 0.00 0.00 179.24 178.80 2q4n s LEU 121 N -8.48 1.03 -0.32 2.28 1.02 -1.20 -5.03 118.68 107.98 2q4n s LEU 121 Ca -0.11 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.07 2q4n s LEU 121 Cb 0.09 1.12 0.10 0.00 0.02 0.00 0.00 46.19 47.51 2q4n s LEU 121 CO 0.90 -0.42 0.10 -0.69 0.02 0.00 0.00 176.35 176.26 2q4n s VAL 122 N -1.32 1.16 0.45 -1.59 1.01 -1.26 -2.05 120.40 116.81 2q4n s VAL 122 Ca -0.14 -1.65 -0.20 0.00 0.00 0.00 0.00 61.98 59.99 2q4n s VAL 122 Cb -0.06 -1.87 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 2q4n s VAL 122 CO 0.04 -0.68 0.97 -0.83 0.00 0.00 0.00 175.10 174.60 2q4n s GLY 123 N 1.41 2.37 -1.38 4.51 0.00 0.22 -4.10 107.32 110.34 2q4n s GLY 123 Ca 0.11 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.23 2q4n s GLY 123 CO -0.21 0.70 0.00 -2.01 0.00 0.00 0.00 173.10 171.58 2q4n n ASN 124 N -0.83 -4.59 -4.81 1.64 5.15 -1.26 -3.04 115.26 107.52 2q4n n ASN 124 Ca 0.07 0.15 -0.38 0.00 -0.60 0.00 0.00 54.58 53.83 2q4n n ASN 124 Cb 0.54 -3.90 -0.06 0.00 -0.53 0.00 0.00 39.78 35.82 2q4n n ASN 124 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2q4n s ALA 125 N -2.71 3.58 -0.16 5.20 0.00 -1.26 -4.65 121.76 121.76 2q4n s ALA 125 Ca 0.00 0.03 0.20 0.00 0.00 0.00 0.00 51.96 52.19 2q4n s ALA 125 Cb 0.00 -2.64 -0.11 0.00 0.00 0.00 0.00 23.12 20.37 2q4n s ALA 125 CO 0.00 0.40 0.83 -1.13 0.00 0.00 0.00 175.76 175.86 2q4n n SER 126 N 1.55 0.67 0.00 0.00 3.41 -1.26 -4.81 113.62 113.19 2q4n n SER 126 Ca -0.09 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 2q4n n SER 126 Cb 0.51 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 2q4n n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2q4n n LYS 127 N -2.68 0.00 -1.85 4.33 5.02 -1.26 -5.08 118.16 116.64 2q4n n LYS 127 Ca -0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 2q4n n LYS 127 Cb 0.67 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 2q4n n LYS 127 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2q4n s VAL 128 N -1.09 2.16 -0.03 -0.18 1.01 -1.26 -4.23 120.40 116.78 2q4n s VAL 128 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2q4n s VAL 128 Cb 0.00 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2q4n s VAL 128 CO 0.00 0.03 -0.04 0.29 0.00 0.00 0.00 175.10 175.39 2q4n n LYS 129 N 0.31 0.07 -4.01 2.72 4.76 0.11 -4.80 118.16 117.32 2q4n n LYS 129 Ca 0.02 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.40 2q4n n LYS 129 Cb 0.40 -0.73 -0.11 0.00 -1.84 0.00 0.00 35.03 32.76 2q4n n LYS 129 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2q4n s GLU 130 N -2.06 0.41 -0.06 1.97 8.01 -1.09 -4.69 118.70 121.19 2q4n s GLU 130 Ca -0.04 -0.80 0.02 0.00 0.01 0.00 0.00 54.97 54.15 2q4n s GLU 130 Cb 0.02 0.14 0.02 0.00 -4.31 0.00 0.00 34.13 30.00 2q4n s GLU 130 CO 0.06 -0.07 -0.09 0.42 0.01 0.00 0.00 175.26 175.58 2q4n s ILE 131 N -2.24 0.90 0.03 -1.63 1.01 -1.26 -0.42 121.20 117.58 2q4n s ILE 131 Ca -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2q4n s ILE 131 Cb -0.04 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2q4n s ILE 131 CO -0.04 0.30 0.00 -0.44 0.00 0.00 0.00 174.94 174.77 2q4n s SER 132 N 0.74 5.10 -0.18 3.58 0.01 0.64 -2.53 113.70 121.06 2q4n s SER 132 Ca -0.14 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 2q4n s SER 132 Cb -0.15 -1.30 0.09 0.00 0.21 0.00 0.00 66.02 64.87 2q4n s SER 132 CO 0.02 0.25 0.34 -0.13 0.41 0.00 0.00 173.24 174.13 2q4n s ARG 133 N -1.78 0.25 -0.25 12.44 0.52 -1.15 -1.45 118.95 127.53 2q4n s ARG 133 Ca 0.21 0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 56.20 2q4n s ARG 133 Cb -0.12 -0.02 0.08 0.00 0.52 0.00 0.00 34.95 35.41 2q4n s ARG 133 CO 0.13 -0.35 0.08 -1.21 0.02 0.00 0.00 175.30 173.97 2q4n s GLU 134 N 2.51 0.57 0.53 3.54 2.02 0.04 -2.32 118.70 125.59 2q4n s GLU 134 Ca 0.02 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.24 2q4n s GLU 134 Cb -0.13 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 2q4n s GLU 134 CO -0.12 -0.83 0.93 -0.06 0.02 0.00 0.00 175.26 175.20 2q4n s PHE 135 N 1.83 3.54 -0.14 1.61 0.40 -1.00 -1.34 117.98 122.87 2q4n s PHE 135 Ca 0.05 1.22 -0.09 0.00 -0.60 0.00 0.00 56.93 57.51 2q4n s PHE 135 Cb -0.17 -2.62 0.05 0.00 0.51 0.00 0.00 43.02 40.79 2q4n s PHE 135 CO -0.19 -0.42 0.34 -2.00 0.70 0.00 0.00 175.22 173.65 2q4n s GLU 136 N -4.52 0.33 -0.13 0.44 2.12 0.42 -2.88 118.70 114.48 2q4n s GLU 136 Ca 0.54 0.64 -0.28 0.00 0.36 0.00 0.00 54.97 56.24 2q4n s GLU 136 Cb -0.10 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.26 2q4n s GLU 136 CO 0.41 -0.14 0.93 -1.17 -0.54 0.00 0.00 175.26 174.76 2q4n s LEU 137 N 1.11 4.22 -0.24 2.70 2.96 0.11 -1.52 118.68 128.02 2q4n s LEU 137 Ca -0.08 1.38 -0.00 0.00 -0.22 0.00 0.00 54.13 55.21 2q4n s LEU 137 Cb -0.08 -3.42 0.07 0.00 0.50 0.00 0.00 46.19 43.26 2q4n s LEU 137 CO -0.09 -0.43 -0.01 0.68 -1.32 0.00 0.00 176.35 175.18 2q4n s VAL 138 N 2.06 1.25 -1.18 1.68 -7.23 -0.67 -4.79 120.40 111.52 2q4n s VAL 138 Ca 0.44 -1.11 -0.06 0.00 -1.81 0.00 0.00 61.98 59.44 2q4n s VAL 138 Cb -0.17 -1.63 0.05 0.00 0.56 0.00 0.00 36.38 35.19 2q4n s VAL 138 CO 0.15 -0.20 0.34 -0.67 -0.31 0.00 0.00 175.10 174.41 2q4n n ASP 139 N 4.77 -3.78 0.00 4.85 2.03 -1.26 -0.48 116.55 122.67 2q4n n ASP 139 Ca -0.10 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.03 2q4n n ASP 139 Cb 0.45 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 37.69 2q4n n ASP 139 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q4n n GLY 140 N -1.06 1.16 3.80 0.27 0.00 -1.26 -5.05 105.19 103.05 2q4n n GLY 140 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2q4n n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q4n s LYS 141 N -0.45 3.93 -0.29 1.61 1.02 0.36 -4.57 119.74 121.36 2q4n s LYS 141 Ca 0.00 0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.83 2q4n s LYS 141 Cb 0.00 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2q4n s LYS 141 CO 0.00 0.52 1.29 -1.17 -0.92 0.00 0.00 175.35 175.07 2q4n s LEU 142 N -0.41 3.91 0.15 3.17 2.96 0.12 -1.68 118.68 126.90 2q4n s LEU 142 Ca 0.18 1.24 0.08 0.00 -0.22 0.00 0.00 54.13 55.41 2q4n s LEU 142 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2q4n s LEU 142 CO 0.07 -1.04 -0.06 -0.55 -1.32 0.00 0.00 176.35 173.44 2q4n s SER 143 N 2.67 4.50 0.07 3.68 0.15 -0.58 -0.31 113.70 123.89 2q4n s SER 143 Ca 0.56 -0.44 -0.13 0.00 0.70 0.00 0.00 55.95 56.64 2q4n s SER 143 Cb -0.17 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.28 2q4n s SER 143 CO 0.22 0.13 0.29 -0.72 1.20 0.00 0.00 173.24 174.36 2q4n s TYR 144 N -1.54 -0.06 -0.12 3.44 -0.85 -1.21 -0.44 117.35 116.57 2q4n s TYR 144 Ca 0.25 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2q4n s TYR 144 Cb -0.10 0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.34 2q4n s TYR 144 CO 0.16 -0.55 -0.17 0.08 -1.52 0.00 0.00 175.55 173.55 2q4n s VAL 145 N -3.15 1.65 -0.16 -3.49 1.01 -0.45 -3.42 120.40 112.39 2q4n s VAL 145 Ca -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 2q4n s VAL 145 Cb 0.01 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2q4n s VAL 145 CO -0.07 0.47 -0.14 -0.69 0.00 0.00 0.00 175.10 174.67 2q4n s VAL 146 N 1.00 2.78 0.54 2.92 1.01 0.11 -0.78 120.40 127.98 2q4n s VAL 146 Ca -0.05 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.25 2q4n s VAL 146 Cb -0.15 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2q4n s VAL 146 CO -0.03 0.51 0.37 -0.13 0.00 0.00 0.00 175.10 175.82 2q4n s ARG 147 N 0.85 2.26 0.03 2.72 0.52 -0.53 -1.38 118.95 123.42 2q4n s ARG 147 Ca -0.04 -2.04 -0.28 0.00 -0.52 0.00 0.00 55.73 52.85 2q4n s ARG 147 Cb -0.15 -2.06 0.09 0.00 0.52 0.00 0.00 34.95 33.35 2q4n s ARG 147 CO -0.00 -0.58 0.91 -1.54 0.02 0.00 0.00 175.30 174.10 2q4n s SER 149 N -4.24 -0.32 0.37 0.23 1.04 0.44 0.23 113.70 111.44 2q4n s SER 149 Ca 0.32 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.72 2q4n s SER 149 Cb -0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2q4n s SER 149 CO 0.20 -0.68 0.20 0.42 0.98 0.00 0.00 173.24 174.36 2q4n s THR 150 N -3.15 0.28 0.35 2.02 -4.23 0.23 0.05 115.64 111.19 2q4n s THR 150 Ca 0.07 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 2q4n s THR 150 Cb -0.01 -2.41 0.31 0.00 1.34 0.00 0.00 72.50 71.73 2q4n s THR 150 CO -0.07 0.00 1.90 0.74 -0.54 0.00 0.00 174.62 176.65 2q4n h THR 151 N 1.96 0.92 -0.07 3.99 2.02 -1.95 -3.07 112.91 116.71 2q4n h THR 151 Ca -0.30 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2q4n h THR 151 Cb 1.25 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2q4n h THR 151 CO 0.47 0.14 0.00 0.35 0.37 0.00 0.00 175.52 176.84 2q4n n THR 152 N -4.53 0.20 -3.78 3.16 -2.24 -1.26 -4.88 114.28 100.95 2q4n n THR 152 Ca 0.15 -0.60 -0.29 0.00 -2.27 0.00 0.00 64.05 61.04 2q4n n THR 152 Cb 0.37 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.50 2q4n n THR 152 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2q4n s ASN 153 N -0.84 3.54 0.81 3.42 -0.87 -1.16 -5.12 114.94 114.72 2q4n s ASN 153 Ca 0.13 -1.21 -0.15 0.00 -1.57 0.00 0.00 52.86 50.06 2q4n s ASN 153 Cb 0.08 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.25 40.48 2q4n s ASN 153 CO 0.12 -0.33 0.50 -2.65 -2.57 0.00 0.00 177.10 172.16 2q4n n PRO 154 N 4.89 0.10 -1.56 -0.60 -0.02 -1.26 -0.60 135.00 135.95 2q4n n PRO 154 Ca -0.07 0.08 -0.53 0.00 -2.02 0.00 0.00 63.50 60.96 2q4n n PRO 154 Cb 0.45 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 2q4n n PRO 154 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2q4n n LEU 155 N -0.68 1.05 -3.80 2.45 7.94 -1.26 -4.62 117.00 118.07 2q4n n LEU 155 Ca 0.09 1.13 -0.06 0.00 -1.11 0.00 0.00 56.01 56.06 2q4n n LEU 155 Cb 0.51 -1.11 -0.02 0.00 0.53 0.00 0.00 43.42 43.34 2q4n n LEU 155 CO 0.50 -1.40 0.54 0.00 -1.11 0.00 0.00 177.39 175.92 2q4n s GLN 156 N 0.17 1.59 0.33 1.96 -2.07 -1.26 -4.94 119.66 115.43 2q4n s GLN 156 Ca 0.84 -0.86 -0.28 0.00 -1.82 0.00 0.00 55.36 53.24 2q4n s GLN 156 Cb -1.03 0.55 -0.13 0.00 -1.09 0.00 0.00 33.01 31.31 2q4n s GLN 156 CO 0.51 -0.72 1.18 -2.30 -1.32 0.00 0.00 175.29 172.63 2q4n n PRO 157 N -0.45 1.82 0.10 9.60 -0.02 -1.26 -4.34 135.00 140.45 2q4n n PRO 157 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2q4n n PRO 157 Cb 0.60 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2q4n n PRO 157 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2q4n n HIS 158 N 0.24 -1.30 -4.34 6.00 -0.00 -0.48 -4.62 115.22 110.72 2q4n n HIS 158 Ca 0.07 0.23 -0.23 0.00 0.46 0.00 0.00 57.72 58.25 2q4n n HIS 158 Cb 0.35 0.30 -0.11 0.00 -0.12 0.00 0.00 29.99 30.40 2q4n n HIS 158 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2q4n s LEU 159 N -6.98 2.42 -0.28 0.27 1.43 -1.16 -0.25 118.68 114.13 2q4n s LEU 159 Ca 0.00 -0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 2q4n s LEU 159 Cb 0.00 -0.87 0.09 0.00 0.03 0.00 0.00 46.19 45.44 2q4n s LEU 159 CO 0.00 -0.00 0.77 -1.59 0.23 0.00 0.00 176.35 175.76 2q4n s LYS 160 N -2.65 0.65 0.12 1.70 -2.85 -0.47 -0.72 119.74 115.52 2q4n s LYS 160 Ca 0.15 1.04 0.02 0.00 -1.00 0.00 0.00 55.97 56.18 2q4n s LYS 160 Cb -0.07 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2q4n s LYS 160 CO 0.07 -0.12 -0.04 0.00 0.10 0.00 0.00 175.35 175.35 2q4n s ALA 161 N 1.31 1.10 -0.09 0.59 0.00 -1.22 0.12 121.76 123.56 2q4n s ALA 161 Ca -0.08 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2q4n s ALA 161 Cb -0.05 0.29 0.02 0.00 0.00 0.00 0.00 23.12 23.38 2q4n s ALA 161 CO -0.15 -0.26 -0.09 0.42 0.00 0.00 0.00 175.76 175.68 2q4n s ILE 162 N -3.64 1.02 -0.07 0.00 1.01 0.19 -3.32 121.20 116.39 2q4n s ILE 162 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.47 2q4n s ILE 162 Cb 0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 2q4n s ILE 162 CO -0.02 0.35 -0.07 -0.76 0.00 0.00 0.00 174.94 174.45 2q4n s LEU 163 N 1.26 3.19 -0.16 2.97 1.02 0.58 -2.21 118.68 125.32 2q4n s LEU 163 Ca -0.04 -0.02 -0.09 0.00 0.02 0.00 0.00 54.13 54.00 2q4n s LEU 163 Cb -0.14 -1.69 -0.05 0.00 0.02 0.00 0.00 46.19 44.33 2q4n s LEU 163 CO -0.03 0.36 0.15 -1.81 0.02 0.00 0.00 176.35 175.05 2q4n s ASP 164 N -0.80 6.30 0.15 2.29 1.11 -0.44 0.13 116.67 125.40 2q4n s ASP 164 Ca 0.12 0.35 -0.31 0.00 0.18 0.00 0.00 52.55 52.89 2q4n s ASP 164 Cb -0.11 -2.10 -0.10 0.00 1.07 0.00 0.00 42.92 41.68 2q4n s ASP 164 CO 0.01 0.25 1.64 -0.75 1.18 0.00 0.00 175.17 177.51 2q4n s LYS 165 N -0.13 4.19 0.00 8.23 2.20 -1.26 -1.61 119.74 131.35 2q4n s LYS 165 Ca 0.11 2.42 0.26 0.00 -0.36 0.00 0.00 55.97 58.41 2q4n s LYS 165 Cb -0.12 -3.29 0.64 0.00 -1.51 0.00 0.00 37.83 33.56 2q4n s LYS 165 CO 0.01 -0.68 1.51 1.28 -0.36 0.00 0.00 175.35 177.11