#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4n n PRO 15 N 0.00 0.86 -1.53 0.52 -0.04 -1.26 -4.06 135.00 129.49 2q4n n PRO 15 Ca 0.00 0.33 -0.54 0.00 -0.04 0.00 0.00 63.50 63.25 2q4n n PRO 15 Cb 0.00 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 2q4n n PRO 15 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2q4n n VAL 16 N -1.66 0.36 -2.85 0.52 0.31 -1.26 -4.21 118.33 109.54 2q4n n VAL 16 Ca 0.13 -0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 64.05 2q4n n VAL 16 Cb 0.47 -0.38 -0.06 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.00 3.36 0.30 3.52 2.46 -1.26 -4.87 115.29 118.79 2q4n s HIS 17 Ca 0.83 1.43 0.05 0.00 0.47 0.00 0.00 55.06 57.84 2q4n s HIS 17 Cb -1.07 -2.72 0.77 0.00 -0.13 0.00 0.00 32.58 29.44 2q4n s HIS 17 CO 0.53 -0.09 1.70 -1.35 -2.47 0.00 0.00 174.74 173.07 2q4n h PRO 18 N 1.81 0.43 0.00 2.88 0.11 -1.93 0.54 132.00 135.83 2q4n h PRO 18 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2q4n h PRO 18 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2q4n h PRO 18 CO 0.63 0.28 -0.34 0.74 -0.21 0.00 0.00 178.00 179.10 2q4n h PHE 19 N 0.44 0.00 0.09 0.65 0.04 -1.94 -3.31 116.94 112.91 2q4n h PHE 19 Ca 0.58 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 61.10 2q4n h PHE 19 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 2q4n h PHE 19 CO -0.10 0.34 -1.15 0.28 -0.60 0.00 0.00 178.31 177.08 2q4n h VAL 20 N 0.00 1.46 -1.06 -0.55 2.07 -1.19 -3.38 116.25 113.60 2q4n h VAL 20 Ca -0.00 -2.85 0.29 0.00 0.82 0.00 0.00 66.70 64.96 2q4n h VAL 20 Cb 0.96 2.77 -0.11 0.00 -1.52 0.00 0.00 31.29 33.39 2q4n h VAL 20 CO 0.04 0.84 0.66 0.00 0.02 0.00 0.00 177.57 179.13 2q4n h ALA 21 N 0.63 2.14 0.00 1.67 0.00 -1.50 0.37 119.26 122.57 2q4n h ALA 21 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q4n h ALA 21 Cb 1.84 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2q4n h ALA 21 CO 0.19 -0.63 0.00 -1.35 0.00 0.00 0.00 179.25 177.47 2q4n h PRO 22 N 0.39 0.00 -0.60 0.00 0.11 -1.79 -2.92 132.00 127.19 2q4n h PRO 22 Ca 0.66 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.71 2q4n h PRO 22 Cb 1.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.67 2q4n h PRO 22 CO -0.40 0.00 0.07 1.28 -0.21 0.00 0.00 178.00 178.73 2q4n n LEU 23 N -3.00 5.78 0.28 2.35 4.77 0.13 -4.71 117.00 122.60 2q4n n LEU 23 Ca -0.02 -3.02 0.12 0.00 -0.03 0.00 0.00 56.01 53.07 2q4n n LEU 23 Cb 0.12 -0.70 0.79 0.00 -2.33 0.00 0.00 43.42 41.31 2q4n n LEU 23 CO 0.21 0.68 1.08 0.77 -1.33 0.00 0.00 177.39 178.80 2q4n h SER 24 N 3.60 0.00 0.31 -1.43 4.64 -1.58 0.72 113.55 119.81 2q4n h SER 24 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 2q4n h SER 24 Cb 2.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.15 2q4n h SER 24 CO 0.55 0.02 -0.08 0.10 -0.87 0.00 0.00 176.83 176.54 2q4n h TYR 25 N 0.00 0.00 0.00 4.77 -0.00 -1.87 0.11 116.97 119.97 2q4n h TYR 25 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 2q4n h TYR 25 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.77 2q4n h TYR 25 CO 0.00 0.08 -0.36 -0.07 -0.00 0.00 0.00 178.16 177.81 2q4n h LEU 26 N 0.00 0.00 -9.52 0.10 3.38 -1.24 -3.45 115.31 104.58 2q4n h LEU 26 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2q4n h LEU 26 Cb 0.26 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.04 2q4n h LEU 26 CO 0.01 0.36 0.91 -0.76 0.09 0.00 0.00 178.44 179.06 2q4n s LEU 27 N -6.72 4.37 0.00 1.67 1.43 0.02 -4.66 118.68 114.79 2q4n s LEU 27 Ca 0.02 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.63 2q4n s LEU 27 Cb 0.09 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2q4n s LEU 27 CO 0.69 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2q4n n GLY 28 N 3.83 0.60 3.43 -3.19 0.00 -1.09 -5.00 105.19 103.77 2q4n n GLY 28 Ca 0.14 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.59 3.32 0.26 2.61 2.01 -1.26 -1.19 115.64 119.79 2q4n s THR 29 Ca 0.00 -0.58 0.11 0.00 0.31 0.00 0.00 61.69 61.53 2q4n s THR 29 Cb 0.00 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 2q4n s THR 29 CO 0.00 0.53 -0.12 0.26 -0.69 0.00 0.00 174.62 174.60 2q4n s TRP 30 N 0.11 2.47 -0.24 4.92 0.52 0.90 -1.28 118.94 126.34 2q4n s TRP 30 Ca -0.04 -0.28 -0.27 0.00 0.02 0.00 0.00 56.10 55.53 2q4n s TRP 30 Cb -0.14 -1.10 0.13 0.00 -1.15 0.00 0.00 33.47 31.20 2q4n s TRP 30 CO 0.04 0.65 1.03 0.50 0.02 0.00 0.00 176.95 179.19 2q4n s ARG 31 N -3.44 0.52 0.00 4.98 3.52 -0.62 -2.14 118.95 121.78 2q4n s ARG 31 Ca 0.29 0.44 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 2q4n s ARG 31 Cb -0.06 0.25 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2q4n s ARG 31 CO 0.16 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 2q4n n GLY 32 N 1.73 -0.75 3.46 8.12 0.00 -0.66 0.12 105.19 117.21 2q4n n GLY 32 Ca -0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.76 1.31 0.21 1.61 -2.07 -1.01 -1.18 119.66 117.77 2q4n s GLN 33 Ca 0.00 -1.06 -0.00 0.00 -1.82 0.00 0.00 55.36 52.47 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 -0.53 0.28 0.41 -1.32 0.00 0.00 175.29 174.13 2q4n n GLY 34 N -0.29 2.65 2.90 2.60 0.00 0.15 -2.13 105.19 111.07 2q4n n GLY 34 Ca -0.07 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.54 0.06 0.01 1.61 2.02 0.64 -1.57 118.70 118.93 2q4n s GLU 35 Ca 0.19 0.18 0.05 0.00 0.02 0.00 0.00 54.97 55.40 2q4n s GLU 35 Cb -0.00 -0.07 -0.01 0.00 0.10 0.00 0.00 34.13 34.14 2q4n s GLU 35 CO 0.13 -0.08 -0.15 0.20 0.02 0.00 0.00 175.26 175.39 2q4n s GLY 36 N 0.52 0.75 0.26 -1.39 0.00 -0.73 -0.77 107.32 105.95 2q4n s GLY 36 Ca -0.04 -0.70 -0.19 0.00 0.00 0.00 0.00 44.72 43.79 2q4n s GLY 36 CO -0.02 -0.61 0.64 -1.83 0.00 0.00 0.00 173.10 171.28 2q4n s GLU 37 N -0.59 1.66 0.00 2.90 -1.05 -0.86 0.04 118.70 120.80 2q4n s GLU 37 Ca 0.05 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 2q4n s GLU 37 Cb -0.06 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 2q4n s GLU 37 CO 0.00 -0.74 0.00 0.98 0.95 0.00 0.00 175.26 176.45 2q4n n TYR 38 N -0.43 0.00 -0.39 4.83 9.36 -1.24 -4.03 117.16 125.26 2q4n n TYR 38 Ca -0.05 0.00 0.38 0.00 3.32 0.00 0.00 57.90 61.55 2q4n n TYR 38 Cb 0.60 0.00 0.65 0.00 -0.63 0.00 0.00 39.34 39.96 2q4n n TYR 38 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2q4n h PRO 39 N 0.00 0.00 0.00 2.98 0.11 -2.01 -2.88 132.00 130.20 2q4n h PRO 39 Ca 0.00 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.72 2q4n h PRO 39 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2q4n h PRO 39 CO 0.00 0.00 -2.45 0.25 -0.21 0.00 0.00 178.00 175.59 2q4n n THR 40 N -3.66 1.48 -3.95 -1.15 -2.24 -1.26 -4.96 114.28 98.55 2q4n n THR 40 Ca 0.30 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 2q4n n THR 40 Cb 1.61 -1.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.52 3.01 0.32 2.28 -4.36 -1.09 -5.12 121.20 113.73 2q4n s ILE 41 Ca -0.30 -0.84 -0.24 0.00 -0.26 0.00 0.00 60.65 59.01 2q4n s ILE 41 Cb 0.08 -2.46 -0.16 0.00 1.25 0.00 0.00 42.46 41.17 2q4n s ILE 41 CO 0.65 0.29 0.31 -0.81 0.24 0.00 0.00 174.94 175.62 2q4n n PRO 42 N 4.71 0.08 -1.63 0.37 -0.04 -1.26 -3.65 135.00 133.58 2q4n n PRO 42 Ca -0.17 0.03 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 2q4n n PRO 42 Cb 0.48 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 32.89 2q4n n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2q4n n SER 43 N 2.10 1.62 -3.93 3.54 3.41 -1.26 -4.78 113.62 114.32 2q4n n SER 43 Ca 0.14 1.08 -0.10 0.00 -0.26 0.00 0.00 58.87 59.73 2q4n n SER 43 Cb 0.34 -1.38 -0.06 0.00 -0.26 0.00 0.00 64.21 62.84 2q4n n SER 43 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2q4n s PHE 44 N -1.22 0.31 0.34 7.33 -0.71 0.11 -4.99 117.98 119.13 2q4n s PHE 44 Ca 0.62 -0.66 0.10 0.00 -1.04 0.00 0.00 56.93 55.94 2q4n s PHE 44 Cb -0.57 0.05 -0.06 0.00 -1.21 0.00 0.00 43.02 41.24 2q4n s PHE 44 CO 0.58 -0.79 -0.08 1.03 -1.34 0.00 0.00 175.22 174.62 2q4n s ARG 45 N -3.96 1.88 -0.08 1.99 0.52 -1.26 -1.77 118.95 116.26 2q4n s ARG 45 Ca 0.17 -1.87 -0.30 0.00 -0.52 0.00 0.00 55.73 53.21 2q4n s ARG 45 Cb 0.02 -1.78 0.07 0.00 0.52 0.00 0.00 34.95 33.78 2q4n s ARG 45 CO 0.01 0.16 0.69 1.52 0.02 0.00 0.00 175.30 177.70 2q4n s TYR 46 N -2.57 -0.67 0.19 -0.53 1.13 -0.61 -4.82 117.35 109.47 2q4n s TYR 46 Ca 0.33 1.23 -0.01 0.00 -1.41 0.00 0.00 57.07 57.21 2q4n s TYR 46 Cb 0.01 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2q4n s TYR 46 CO 0.17 -0.58 0.38 0.20 -2.51 0.00 0.00 175.55 173.21 2q4n s GLY 47 N -0.98 1.84 0.07 5.49 0.00 -1.04 0.33 107.32 113.03 2q4n s GLY 47 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.81 2q4n s GLY 47 CO 0.09 -0.78 -0.05 1.85 0.00 0.00 0.00 173.10 174.21 2q4n s GLU 48 N -3.24 0.68 -0.25 2.90 2.12 -0.32 -2.18 118.70 118.41 2q4n s GLU 48 Ca 0.38 -1.20 -0.12 0.00 0.36 0.00 0.00 54.97 54.39 2q4n s GLU 48 Cb -0.11 -0.01 0.09 0.00 0.26 0.00 0.00 34.13 34.36 2q4n s GLU 48 CO 0.29 -0.06 0.59 -2.00 -0.54 0.00 0.00 175.26 173.54 2q4n s GLU 49 N -3.56 0.57 -0.02 4.30 2.12 -0.72 -1.65 118.70 119.74 2q4n s GLU 49 Ca 0.06 1.16 0.07 0.00 0.36 0.00 0.00 54.97 56.63 2q4n s GLU 49 Cb 0.04 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.71 2q4n s GLU 49 CO -0.06 -0.17 -0.22 0.42 -0.54 0.00 0.00 175.26 174.68 2q4n s ILE 50 N 1.98 1.77 -0.04 -3.70 1.01 -0.91 -1.61 121.20 119.69 2q4n s ILE 50 Ca -0.08 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.64 2q4n s ILE 50 Cb -0.08 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.92 2q4n s ILE 50 CO -0.17 0.50 -0.10 -0.60 0.00 0.00 0.00 174.94 174.57 2q4n s ARG 51 N -0.46 1.23 -0.15 2.79 3.52 -0.16 -0.07 118.95 125.65 2q4n s ARG 51 Ca 0.07 -0.32 -0.01 0.00 -0.13 0.00 0.00 55.73 55.34 2q4n s ARG 51 Cb -0.09 -1.10 -0.01 0.00 -1.56 0.00 0.00 34.95 32.19 2q4n s ARG 51 CO -0.00 0.05 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.36 2q4n s PHE 52 N 0.49 2.84 0.19 5.12 0.08 -0.33 -1.11 117.98 125.26 2q4n s PHE 52 Ca -0.09 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.25 2q4n s PHE 52 Cb -0.12 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2q4n s PHE 52 CO 0.02 -0.27 0.10 -1.54 -0.10 0.00 0.00 175.22 173.42 2q4n s SER 53 N 0.55 0.35 0.30 1.36 1.04 0.73 -2.67 113.70 115.36 2q4n s SER 53 Ca -0.07 -1.33 -0.05 0.00 0.48 0.00 0.00 55.95 54.98 2q4n s SER 53 Cb -0.15 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 2q4n s SER 53 CO 0.03 -0.79 0.42 -1.38 0.98 0.00 0.00 173.24 172.51 2q4n s HIS 54 N -4.06 0.90 -0.03 5.02 -3.43 -1.26 -1.42 115.29 111.00 2q4n s HIS 54 Ca 0.34 -1.16 0.24 0.00 -0.80 0.00 0.00 55.06 53.69 2q4n s HIS 54 Cb 0.07 -0.09 0.43 0.00 -1.43 0.00 0.00 32.58 31.57 2q4n s HIS 54 CO 0.09 -1.02 1.18 -1.13 -2.00 0.00 0.00 174.74 171.85 2q4n n SER 55 N -0.97 1.10 0.00 7.38 3.41 -1.26 -4.96 113.62 118.31 2q4n n SER 55 Ca 0.00 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 2q4n n SER 55 Cb 0.62 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.29 0.78 3.98 5.00 0.00 -1.26 -4.80 105.19 109.17 2q4n n GLY 56 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.26 2.47 0.00 1.61 -0.14 -1.26 -4.52 119.74 117.64 2q4n s LYS 57 Ca 0.00 -1.59 -0.03 0.00 -1.36 0.00 0.00 55.97 52.99 2q4n s LYS 57 Cb 0.00 -2.54 -0.15 0.00 -1.68 0.00 0.00 37.83 33.46 2q4n s LYS 57 CO 0.00 -0.56 2.68 -0.35 -0.76 0.00 0.00 175.35 176.37 2q4n n PRO 58 N -1.94 1.42 -3.76 -1.68 -0.04 -1.26 -4.48 135.00 123.27 2q4n n PRO 58 Ca 0.09 -0.55 -0.13 0.00 -0.04 0.00 0.00 63.50 62.87 2q4n n PRO 58 Cb 0.61 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.89 0.01 -0.28 0.52 1.01 -1.26 -4.54 120.40 116.75 2q4n s VAL 59 Ca 0.37 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2q4n s VAL 59 Cb 0.18 -0.51 0.07 0.00 0.00 0.00 0.00 36.38 36.12 2q4n s VAL 59 CO 0.00 -0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 174.34 2q4n s ILE 60 N -0.12 2.19 0.56 2.22 1.09 -0.20 -4.56 121.20 122.37 2q4n s ILE 60 Ca -0.03 -1.80 -0.21 0.00 -1.10 0.00 0.00 60.65 57.51 2q4n s ILE 60 Cb -0.03 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.96 2q4n s ILE 60 CO 0.01 -0.16 1.36 0.00 -0.10 0.00 0.00 174.94 176.05 2q4n s ALA 61 N 1.06 2.76 -0.04 9.38 0.00 -0.51 -1.75 121.76 132.66 2q4n s ALA 61 Ca -0.04 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.25 2q4n s ALA 61 Cb -0.20 -3.57 0.03 0.00 0.00 0.00 0.00 23.12 19.38 2q4n s ALA 61 CO -0.06 -1.43 -0.01 -0.47 0.00 0.00 0.00 175.76 173.80 2q4n s TYR 62 N -1.31 0.50 0.05 0.00 5.04 -0.32 -0.19 117.35 121.11 2q4n s TYR 62 Ca 0.73 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.31 2q4n s TYR 62 Cb -0.40 -0.58 -0.03 0.00 0.35 0.00 0.00 41.96 41.31 2q4n s TYR 62 CO 0.47 -0.20 -0.08 0.95 -1.34 0.00 0.00 175.55 175.35 2q4n s THR 63 N 1.30 0.56 0.04 4.34 -4.23 -0.27 -1.07 115.64 116.32 2q4n s THR 63 Ca -0.06 -1.14 -0.15 0.00 -1.18 0.00 0.00 61.69 59.17 2q4n s THR 63 Cb -0.13 -0.68 0.02 0.00 1.34 0.00 0.00 72.50 73.05 2q4n s THR 63 CO -0.02 -0.41 0.34 -1.58 -0.54 0.00 0.00 174.62 172.41 2q4n s GLN 64 N -1.72 0.84 0.09 3.99 -0.44 -0.45 -0.99 119.66 120.99 2q4n s GLN 64 Ca -0.09 -0.46 -0.12 0.00 -2.50 0.00 0.00 55.36 52.20 2q4n s GLN 64 Cb -0.09 0.37 0.01 0.00 -1.64 0.00 0.00 33.01 31.66 2q4n s GLN 64 CO 0.00 -0.28 0.28 -1.59 0.50 0.00 0.00 175.29 174.20 2q4n s LYS 65 N -2.53 0.92 0.14 1.67 -2.85 -0.63 -2.15 119.74 114.31 2q4n s LYS 65 Ca -0.05 -0.80 0.05 0.00 -1.00 0.00 0.00 55.97 54.16 2q4n s LYS 65 Cb -0.01 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2q4n s LYS 65 CO -0.03 -0.32 -0.11 0.95 0.10 0.00 0.00 175.35 175.95 2q4n s THR 66 N -3.65 1.19 0.29 3.79 -4.23 -0.63 -1.76 115.64 110.65 2q4n s THR 66 Ca 0.03 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 2q4n s THR 66 Cb 0.03 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2q4n s THR 66 CO -0.10 -0.69 0.51 -1.66 -0.54 0.00 0.00 174.62 172.14 2q4n s TRP 67 N -3.13 0.51 -0.10 3.99 -2.14 -0.93 -3.35 118.94 113.80 2q4n s TRP 67 Ca 0.15 -0.87 -0.25 0.00 2.66 0.00 0.00 56.10 57.79 2q4n s TRP 67 Cb 0.01 0.20 -0.03 0.00 -3.10 0.00 0.00 33.47 30.55 2q4n s TRP 67 CO 0.01 -1.10 0.78 0.15 -2.66 0.00 0.00 176.95 174.13 2q4n s LYS 68 N -3.58 4.40 0.20 3.25 1.02 -0.49 -2.50 119.74 122.03 2q4n s LYS 68 Ca 0.24 0.98 -0.11 0.00 0.02 0.00 0.00 55.97 57.10 2q4n s LYS 68 Cb -0.01 -3.50 0.21 0.00 -0.52 0.00 0.00 37.83 34.01 2q4n s LYS 68 CO 0.12 -0.10 1.76 -0.07 -0.92 0.00 0.00 175.35 176.15 2q4n h LEU 69 N 7.36 0.28 -0.41 3.17 3.38 -1.91 0.25 115.31 127.43 2q4n h LEU 69 Ca -0.37 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 2q4n h LEU 69 Cb 1.18 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2q4n h LEU 69 CO 0.78 0.18 -0.29 1.05 0.09 0.00 0.00 178.44 180.26 2q4n h GLU 70 N 0.44 0.92 0.00 1.13 9.09 -1.99 -3.30 114.58 120.87 2q4n h GLU 70 Ca 0.27 -0.44 -0.08 0.00 0.05 0.00 0.00 59.36 59.16 2q4n h GLU 70 Cb 0.27 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 2q4n h GLU 70 CO -0.24 1.10 -1.95 -1.13 0.05 0.00 0.00 179.01 176.83 2q4n n SER 71 N -4.13 0.64 0.00 3.06 3.41 -1.19 -5.00 113.62 110.41 2q4n n SER 71 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2q4n n SER 71 Cb 0.49 1.65 0.00 0.00 -0.26 0.00 0.00 64.21 66.09 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 1.53 0.85 3.76 5.00 0.00 0.88 -5.02 105.19 112.19 2q4n n GLY 72 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2q4n n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4n s ALA 73 N -3.36 3.62 1.17 4.61 0.00 -1.25 -4.65 121.76 121.91 2q4n s ALA 73 Ca 0.00 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.25 2q4n s ALA 73 Cb 0.00 -3.57 0.28 0.00 0.00 0.00 0.00 23.12 19.83 2q4n s ALA 73 CO 0.00 -0.84 0.99 -2.30 0.00 0.00 0.00 175.76 173.61 2q4n n PRO 74 N 1.61 -2.44 -2.23 0.00 -0.02 -1.26 -1.39 135.00 129.27 2q4n n PRO 74 Ca 0.05 -0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 60.58 2q4n n PRO 74 Cb 0.40 -2.16 0.16 0.00 -0.02 0.00 0.00 33.50 31.88 2q4n n PRO 74 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2q4n n HIS 76 N -4.97 -3.46 -3.46 6.00 8.25 -1.21 -4.80 115.22 111.56 2q4n n HIS 76 Ca 0.03 -1.47 -0.13 0.00 -0.26 0.00 0.00 57.72 55.89 2q4n n HIS 76 Cb 0.54 -0.87 -0.03 0.00 1.12 0.00 0.00 29.99 30.75 2q4n n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q4n s ALA 77 N -3.57 -1.54 0.27 -1.41 0.00 -1.26 -1.61 121.76 112.64 2q4n s ALA 77 Ca 0.70 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 2q4n s ALA 77 Cb -0.03 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2q4n s ALA 77 CO 0.48 -0.70 0.64 -1.83 0.00 0.00 0.00 175.76 174.35 2q4n s GLU 78 N -3.42 1.71 0.14 0.00 -1.05 -0.91 0.60 118.70 115.78 2q4n s GLU 78 Ca -0.00 -1.08 -0.24 0.00 -0.15 0.00 0.00 54.97 53.49 2q4n s GLU 78 Cb -0.01 0.56 0.07 0.00 -0.44 0.00 0.00 34.13 34.32 2q4n s GLU 78 CO -0.10 -0.76 0.76 -1.54 0.95 0.00 0.00 175.26 174.56 2q4n s SER 79 N -2.95 -0.39 0.00 0.83 1.04 -0.53 -1.34 113.70 110.35 2q4n s SER 79 Ca 0.15 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2q4n s SER 79 Cb -0.04 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2q4n s SER 79 CO 0.08 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2q4n n GLY 80 N -0.37 -0.52 3.01 7.32 0.00 -0.23 -0.82 105.19 113.58 2q4n n GLY 80 Ca -0.11 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.16 0.74 -0.14 1.61 2.02 -0.66 -1.17 117.35 116.59 2q4n s TYR 81 Ca 0.00 -0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2q4n s TYR 81 Cb 0.00 -0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 2q4n s TYR 81 CO 0.00 -0.01 -0.03 -0.06 -1.57 0.00 0.00 175.55 173.87 2q4n s PHE 82 N -0.27 3.03 -0.58 2.71 0.40 -0.72 -1.90 117.98 120.65 2q4n s PHE 82 Ca 0.02 -0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 2q4n s PHE 82 Cb -0.04 -1.91 0.17 0.00 0.51 0.00 0.00 43.02 41.76 2q4n s PHE 82 CO -0.00 0.08 0.45 0.54 0.70 0.00 0.00 175.22 176.98 2q4n n ARG 83 N 3.20 1.19 -2.60 0.44 1.74 0.21 -1.03 116.66 119.81 2q4n n ARG 83 Ca -0.18 -3.96 -0.33 0.00 -0.77 0.00 0.00 57.85 52.61 2q4n n ARG 83 Cb 0.53 -2.02 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 2q4n n ARG 83 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2q4n s PRO 84 N -0.91 3.92 0.25 5.56 0.04 -1.26 -2.95 135.00 139.66 2q4n s PRO 84 Ca 0.29 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.63 2q4n s PRO 84 Cb 0.00 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 2q4n s PRO 84 CO -0.18 -0.31 -0.02 1.03 0.04 0.00 0.00 177.00 177.56 2q4n s ARG 85 N -3.31 1.43 0.39 4.56 0.52 0.54 -4.69 118.95 118.39 2q4n s ARG 85 Ca 0.65 -1.73 0.28 0.00 -0.52 0.00 0.00 55.73 54.41 2q4n s ARG 85 Cb -0.14 -0.83 1.07 0.00 0.52 0.00 0.00 34.95 35.58 2q4n s ARG 85 CO 0.19 -0.05 1.82 -1.00 0.02 0.00 0.00 175.30 176.29 2q4n h PRO 86 N 2.39 0.00 0.00 3.54 0.13 -1.88 0.50 132.00 136.67 2q4n h PRO 86 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2q4n h PRO 86 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2q4n h PRO 86 CO 0.66 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 2q4n n ASP 87 N -2.68 0.00 0.00 1.44 5.68 -1.26 -4.84 116.55 114.89 2q4n n ASP 87 Ca 0.02 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 2q4n n ASP 87 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2q4n n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2q4n n GLY 88 N 0.27 0.64 3.91 6.12 0.00 0.17 -5.03 105.19 111.27 2q4n n GLY 88 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2q4n n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q4n s SER 89 N -2.21 5.13 -0.27 1.61 1.04 -1.24 -0.57 113.70 117.19 2q4n s SER 89 Ca 0.00 0.81 -0.24 0.00 0.48 0.00 0.00 55.95 56.99 2q4n s SER 89 Cb 0.00 -1.55 0.09 0.00 0.10 0.00 0.00 66.02 64.66 2q4n s SER 89 CO 0.00 -1.46 0.81 -0.51 0.98 0.00 0.00 173.24 173.05 2q4n s ILE 90 N -3.30 0.00 0.20 -1.02 2.07 -0.32 -0.34 121.20 118.49 2q4n s ILE 90 Ca 0.58 0.00 0.11 0.00 -1.41 0.00 0.00 60.65 59.94 2q4n s ILE 90 Cb -0.11 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 2q4n s ILE 90 CO 0.48 0.00 -0.24 -1.83 -1.91 0.00 0.00 174.94 171.44 2q4n s GLU 91 N 0.44 1.53 0.02 3.50 -1.05 -1.15 -0.21 118.70 121.78 2q4n s GLU 91 Ca 0.00 -1.55 0.01 0.00 -0.15 0.00 0.00 54.97 53.28 2q4n s GLU 91 Cb -0.05 -1.83 -0.02 0.00 -0.44 0.00 0.00 34.13 31.79 2q4n s GLU 91 CO -0.03 0.39 -0.05 0.08 0.95 0.00 0.00 175.26 176.61 2q4n s VAL 92 N -1.75 0.31 -0.04 1.83 1.01 0.40 -0.62 120.40 121.53 2q4n s VAL 92 Ca 0.22 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2q4n s VAL 92 Cb -0.08 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.94 2q4n s VAL 92 CO 0.10 -0.34 -0.02 0.68 0.00 0.00 0.00 175.10 175.52 2q4n s VAL 93 N -1.14 0.38 -0.03 2.92 -7.23 -0.80 0.10 120.40 114.61 2q4n s VAL 93 Ca -0.10 -0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.08 2q4n s VAL 93 Cb -0.08 -0.46 0.01 0.00 0.56 0.00 0.00 36.38 36.41 2q4n s VAL 93 CO -0.00 0.20 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.29 2q4n s ILE 94 N 1.14 0.68 -0.06 -0.62 1.01 -0.52 -1.66 121.20 121.18 2q4n s ILE 94 Ca -0.08 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2q4n s ILE 94 Cb -0.14 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 2q4n s ILE 94 CO -0.01 0.23 -0.17 0.00 0.00 0.00 0.00 174.94 174.99 2q4n s ALA 95 N 0.32 2.54 0.12 9.38 0.00 0.00 0.23 121.76 134.34 2q4n s ALA 95 Ca -0.05 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2q4n s ALA 95 Cb -0.09 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2q4n s ALA 95 CO 0.00 0.47 -0.03 -0.65 0.00 0.00 0.00 175.76 175.56 2q4n s GLN 96 N -0.43 2.40 0.62 0.00 -0.21 0.37 -1.45 119.66 120.96 2q4n s GLN 96 Ca 0.05 -0.96 0.29 0.00 0.02 0.00 0.00 55.36 54.77 2q4n s GLN 96 Cb -0.12 -2.43 1.59 0.00 1.00 0.00 0.00 33.01 33.04 2q4n s GLN 96 CO 0.02 0.51 1.95 0.66 -2.12 0.00 0.00 175.29 176.31 2q4n h SER 97 N 3.29 0.00 0.66 5.90 4.64 -0.16 0.41 113.55 128.29 2q4n h SER 97 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 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 0.57 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.88 2q4n n THR 98 N -3.39 0.36 0.00 2.95 -2.24 -1.26 -4.90 114.28 105.80 2q4n n THR 98 Ca 0.03 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2q4n n THR 98 Cb 0.48 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2q4n n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4n n GLY 99 N 0.82 0.89 3.94 3.38 0.00 0.13 -5.09 105.19 109.25 2q4n n GLY 99 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 4.10 0.12 0.99 1.02 -1.25 -4.71 118.68 118.95 2q4n s LEU 100 Ca 0.00 0.42 0.05 0.00 0.02 0.00 0.00 54.13 54.63 2q4n s LEU 100 Cb 0.00 -3.25 -0.04 0.00 0.02 0.00 0.00 46.19 42.92 2q4n s LEU 100 CO 0.00 -0.21 -0.12 0.68 0.02 0.00 0.00 176.35 176.72 2q4n s VAL 101 N -2.16 1.21 0.02 -1.59 -7.23 -0.60 -0.48 120.40 109.56 2q4n s VAL 101 Ca 0.39 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2q4n s VAL 101 Cb -0.10 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 2q4n s VAL 101 CO 0.33 -0.51 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.92 2q4n s GLU 102 N -2.89 0.61 -0.37 4.82 2.02 0.14 -1.18 118.70 121.84 2q4n s GLU 102 Ca 0.09 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.64 2q4n s GLU 102 Cb -0.03 -0.53 0.11 0.00 0.10 0.00 0.00 34.13 33.77 2q4n s GLU 102 CO 0.02 0.13 0.10 0.08 0.02 0.00 0.00 175.26 175.61 2q4n s VAL 103 N -0.61 2.49 0.00 2.63 1.01 -0.48 -1.44 120.40 124.00 2q4n s VAL 103 Ca -0.01 -2.39 -0.17 0.00 0.00 0.00 0.00 61.98 59.41 2q4n s VAL 103 Cb -0.06 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.47 2q4n s VAL 103 CO 0.00 -0.64 0.46 -1.10 0.00 0.00 0.00 175.10 173.83 2q4n s GLN 104 N 0.82 4.06 0.03 2.72 -1.52 0.11 0.15 119.66 126.03 2q4n s GLN 104 Ca 0.11 0.51 0.02 0.00 -1.95 0.00 0.00 55.36 54.05 2q4n s GLN 104 Cb -0.20 -3.26 -0.02 0.00 -0.22 0.00 0.00 33.01 29.31 2q4n s GLN 104 CO -0.07 0.60 -0.07 0.15 -0.25 0.00 0.00 175.29 175.66 2q4n s LYS 105 N -0.84 0.48 0.00 2.91 1.02 -0.92 -0.45 119.74 121.94 2q4n s LYS 105 Ca 0.26 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2q4n s LYS 105 Cb -0.17 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 2q4n s LYS 105 CO 0.15 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 2q4n n GLY 106 N 1.92 -0.66 3.24 -3.33 0.00 0.71 -1.94 105.19 105.13 2q4n n GLY 106 Ca -0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.42 0.11 0.10 2.61 -4.23 -0.65 -1.18 115.64 109.98 2q4n s THR 107 Ca 0.00 -0.90 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 2q4n s THR 107 Cb 0.00 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.61 2q4n s THR 107 CO 0.00 -0.50 -0.17 -0.72 -0.54 0.00 0.00 174.62 172.70 2q4n s TYR 108 N -3.51 2.58 -0.25 3.99 -0.85 0.26 -1.39 117.35 118.19 2q4n s TYR 108 Ca 0.02 -0.24 -0.03 0.00 -0.52 0.00 0.00 57.07 56.30 2q4n s TYR 108 Cb 0.03 -1.38 0.02 0.00 0.38 0.00 0.00 41.96 41.00 2q4n s TYR 108 CO -0.09 0.37 -0.04 1.21 -1.52 0.00 0.00 175.55 175.48 2q4n s ASN 109 N -2.03 4.41 0.15 -0.18 3.84 0.01 -4.85 114.94 116.29 2q4n s ASN 109 Ca 0.18 -0.78 -0.14 0.00 0.21 0.00 0.00 52.86 52.32 2q4n s ASN 109 Cb -0.11 -1.70 0.03 0.00 -0.55 0.00 0.00 41.25 38.92 2q4n s ASN 109 CO 0.10 -0.12 1.73 0.58 -2.79 0.00 0.00 177.10 176.60 2q4n h VAL 110 N 6.04 1.19 -0.00 -5.21 2.07 -1.93 -1.16 116.25 117.25 2q4n h VAL 110 Ca -0.34 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 66.47 2q4n h VAL 110 Cb 1.12 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2q4n h VAL 110 CO 0.58 0.21 -0.77 0.44 0.02 0.00 0.00 177.57 178.06 2q4n h ASP 111 N 0.63 0.01 0.81 0.57 3.32 -1.97 -2.94 116.42 116.86 2q4n h ASP 111 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2q4n h ASP 111 Cb 0.13 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2q4n h ASP 111 CO -0.02 0.78 -0.48 -0.62 -1.72 0.00 0.00 179.24 177.18 2q4n n GLU 112 N -3.63 0.17 -3.70 3.56 1.02 -1.21 -4.97 120.64 111.88 2q4n n GLU 112 Ca -0.01 0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.95 2q4n n GLU 112 Cb 0.74 -1.62 0.03 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.87 -3.30 -4.19 3.49 6.02 -0.45 -4.43 117.38 112.65 2q4n n GLN 113 Ca 0.04 0.56 -0.16 0.00 -0.01 0.00 0.00 57.00 57.43 2q4n n GLN 113 Cb 0.40 -4.81 -0.11 0.00 1.02 0.00 0.00 30.24 26.74 2q4n n GLN 113 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2q4n s SER 114 N -4.02 1.62 -0.00 1.08 1.04 -1.14 -0.71 113.70 111.56 2q4n s SER 114 Ca 0.18 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.86 2q4n s SER 114 Cb -0.06 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2q4n s SER 114 CO 0.83 -0.20 -0.08 -0.63 0.98 0.00 0.00 173.24 174.14 2q4n s ILE 115 N -2.15 0.65 -0.03 -1.02 1.01 0.14 -0.81 121.20 118.98 2q4n s ILE 115 Ca 0.05 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2q4n s ILE 115 Cb -0.05 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.90 2q4n s ILE 115 CO 0.01 0.15 -0.01 -0.54 0.00 0.00 0.00 174.94 174.56 2q4n s LYS 116 N -0.27 0.35 0.18 2.79 1.02 -0.48 0.55 119.74 123.88 2q4n s LYS 116 Ca 0.03 0.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.91 2q4n s LYS 116 Cb -0.03 -0.49 0.02 0.00 -0.52 0.00 0.00 37.83 36.80 2q4n s LYS 116 CO -0.00 -0.11 0.43 -0.51 -0.92 0.00 0.00 175.35 174.24 2q4n s LEU 117 N 0.90 0.41 0.09 3.17 1.43 -0.90 -1.63 118.68 122.16 2q4n s LEU 117 Ca -0.09 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 2q4n s LEU 117 Cb -0.13 1.79 0.02 0.00 0.03 0.00 0.00 46.19 47.90 2q4n s LEU 117 CO -0.01 -0.98 0.29 -0.54 0.23 0.00 0.00 176.35 175.34 2q4n s LYS 118 N -3.90 0.92 0.30 1.70 1.02 -0.82 -2.33 119.74 116.63 2q4n s LYS 118 Ca 0.11 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 55.05 2q4n s LYS 118 Cb 0.01 0.39 -0.10 0.00 -0.52 0.00 0.00 37.83 37.61 2q4n s LYS 118 CO -0.03 -0.32 1.32 -1.54 -0.92 0.00 0.00 175.35 173.86 2q4n s SER 119 N -2.64 6.80 0.07 2.83 1.04 0.21 -2.17 113.70 119.84 2q4n s SER 119 Ca 0.02 2.62 0.12 0.00 0.48 0.00 0.00 55.95 59.19 2q4n s SER 119 Cb 0.02 -2.64 -0.16 0.00 0.10 0.00 0.00 66.02 63.34 2q4n s SER 119 CO -0.09 -0.54 0.99 0.44 0.98 0.00 0.00 173.24 175.02 2q4n h ASP 120 N 3.97 0.00 -3.83 7.02 5.19 0.10 -3.46 116.42 125.41 2q4n h ASP 120 Ca -0.48 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.80 2q4n h ASP 120 Cb 1.22 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.49 2q4n h ASP 120 CO 0.69 0.84 -0.27 -0.22 -3.12 0.00 0.00 179.24 177.16 2q4n s LEU 121 N -6.26 0.50 -0.06 1.55 2.96 -1.17 -4.99 118.68 111.21 2q4n s LEU 121 Ca -0.01 0.77 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 2q4n s LEU 121 Cb 0.09 1.31 0.00 0.00 0.50 0.00 0.00 46.19 48.08 2q4n s LEU 121 CO 0.81 -0.14 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.84 2q4n s VAL 122 N 0.29 1.49 -0.03 1.68 1.01 -1.26 -1.38 120.40 122.20 2q4n s VAL 122 Ca -0.01 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2q4n s VAL 122 Cb -0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2q4n s VAL 122 CO -0.00 0.43 -0.15 -0.83 0.00 0.00 0.00 175.10 174.55 2q4n s GLY 123 N 0.26 0.76 -0.91 4.51 0.00 -0.33 -4.79 107.32 106.82 2q4n s GLY 123 Ca -0.10 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2q4n s GLY 123 CO 0.04 -0.39 0.00 -2.01 0.00 0.00 0.00 173.10 170.74 2q4n n ASN 124 N 2.97 -3.81 -4.43 1.64 5.15 -1.26 -1.56 115.26 113.96 2q4n n ASN 124 Ca -0.16 0.15 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 2q4n n ASN 124 Cb 0.54 -2.41 -0.13 0.00 -0.53 0.00 0.00 39.78 37.24 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 -2.37 2.74 -0.33 5.20 0.00 -1.26 -4.70 121.76 121.04 2q4n s ALA 125 Ca 0.00 -0.88 0.22 0.00 0.00 0.00 0.00 51.96 51.30 2q4n s ALA 125 Cb 0.00 -1.28 0.37 0.00 0.00 0.00 0.00 23.12 22.21 2q4n s ALA 125 CO 0.00 0.29 1.61 0.66 0.00 0.00 0.00 175.76 178.32 2q4n h SER 126 N 6.49 0.00 0.00 0.00 4.64 -2.00 -3.41 113.55 119.27 2q4n h SER 126 Ca -0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2q4n h SER 126 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2q4n h SER 126 CO 0.57 0.11 -0.25 0.29 -0.87 0.00 0.00 176.83 176.68 2q4n n LYS 127 N -3.13 0.04 -1.92 4.77 5.02 -1.26 -5.06 118.16 116.62 2q4n n LYS 127 Ca 0.03 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 2q4n n LYS 127 Cb 0.56 -0.58 -0.01 0.00 -0.02 0.00 0.00 35.03 34.98 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 -2.07 2.35 -0.12 -0.18 1.01 -1.26 -4.23 120.40 115.90 2q4n s VAL 128 Ca -0.02 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2q4n s VAL 128 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 2q4n s VAL 128 CO 0.04 0.07 -0.08 0.29 0.00 0.00 0.00 175.10 175.42 2q4n n LYS 129 N 1.15 0.80 -3.91 2.72 4.76 -1.22 -4.82 118.16 117.65 2q4n n LYS 129 Ca 0.03 0.06 -0.11 0.00 -2.87 0.00 0.00 58.31 55.42 2q4n n LYS 129 Cb 0.40 -1.26 -0.12 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.26 0.23 -0.02 1.97 8.01 -1.26 -4.58 118.70 120.80 2q4n s GLU 130 Ca -0.15 -0.29 0.04 0.00 0.01 0.00 0.00 54.97 54.59 2q4n s GLU 130 Cb 0.04 0.09 -0.01 0.00 -4.31 0.00 0.00 34.13 29.94 2q4n s GLU 130 CO 0.33 -0.04 -0.14 0.42 0.01 0.00 0.00 175.26 175.84 2q4n s ILE 131 N -0.82 1.13 -0.02 -1.63 1.01 -1.26 -1.88 121.20 117.73 2q4n s ILE 131 Ca -0.09 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2q4n s ILE 131 Cb -0.06 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 2q4n s ILE 131 CO -0.00 0.32 -0.09 -0.44 0.00 0.00 0.00 174.94 174.73 2q4n s SER 132 N -0.26 1.15 -0.06 3.58 0.01 -1.09 0.67 113.70 117.70 2q4n s SER 132 Ca 0.04 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2q4n s SER 132 Cb -0.06 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 65.92 2q4n s SER 132 CO -0.00 0.08 -0.18 -0.13 0.41 0.00 0.00 173.24 173.42 2q4n s ARG 133 N 0.05 2.08 -0.11 12.44 0.52 -0.98 0.00 118.95 132.94 2q4n s ARG 133 Ca -0.01 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2q4n s ARG 133 Cb -0.07 -1.73 0.01 0.00 0.52 0.00 0.00 34.95 33.69 2q4n s ARG 133 CO 0.00 0.20 -0.16 -1.21 0.02 0.00 0.00 175.30 174.15 2q4n s GLU 134 N 0.20 2.33 0.04 3.54 2.02 0.27 -2.12 118.70 124.99 2q4n s GLU 134 Ca -0.09 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.38 2q4n s GLU 134 Cb -0.14 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 2q4n s GLU 134 CO 0.04 -0.06 -0.23 -0.06 0.02 0.00 0.00 175.26 174.97 2q4n s PHE 135 N 0.97 2.42 -0.07 1.61 0.40 0.19 0.02 117.98 123.53 2q4n s PHE 135 Ca -0.06 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 55.87 2q4n s PHE 135 Cb -0.15 -1.43 0.02 0.00 0.51 0.00 0.00 43.02 41.98 2q4n s PHE 135 CO -0.02 0.18 0.17 -2.00 0.70 0.00 0.00 175.22 174.25 2q4n s GLU 136 N -1.30 0.17 -0.26 0.44 2.12 0.02 -0.69 118.70 119.21 2q4n s GLU 136 Ca 0.13 0.29 -0.22 0.00 0.36 0.00 0.00 54.97 55.53 2q4n s GLU 136 Cb -0.10 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.29 2q4n s GLU 136 CO 0.03 -0.07 0.70 -1.17 -0.54 0.00 0.00 175.26 174.22 2q4n s LEU 137 N 0.43 4.07 -0.10 2.70 2.96 0.11 -0.23 118.68 128.62 2q4n s LEU 137 Ca -0.03 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 2q4n s LEU 137 Cb -0.04 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.70 2q4n s LEU 137 CO -0.02 -0.44 -0.09 0.68 -1.32 0.00 0.00 176.35 175.16 2q4n s VAL 138 N 2.65 1.09 -1.74 1.68 -7.23 0.11 -4.65 120.40 112.31 2q4n s VAL 138 Ca 0.29 -0.37 -0.17 0.00 -1.81 0.00 0.00 61.98 59.92 2q4n s VAL 138 Cb -0.15 -1.06 0.16 0.00 0.56 0.00 0.00 36.38 35.89 2q4n s VAL 138 CO 0.08 0.37 0.62 -0.67 -0.31 0.00 0.00 175.10 175.19 2q4n n ASP 139 N 4.57 -2.16 -0.09 4.85 -0.08 -1.26 0.11 116.55 122.49 2q4n n ASP 139 Ca -0.16 -1.12 -0.01 0.00 -1.51 0.00 0.00 54.79 51.98 2q4n n ASP 139 Cb 0.51 -2.25 -0.01 0.00 2.34 0.00 0.00 41.12 41.71 2q4n n ASP 139 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2q4n n GLY 140 N -1.43 0.32 3.89 0.27 0.00 -1.26 -5.02 105.19 101.96 2q4n n GLY 140 Ca 0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.34 3.35 -0.26 1.61 1.02 0.29 -4.56 119.74 119.85 2q4n s LYS 141 Ca 0.00 -0.46 -0.19 0.00 0.02 0.00 0.00 55.97 55.34 2q4n s LYS 141 Cb 0.00 -3.00 -0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2q4n s LYS 141 CO 0.00 0.61 0.57 -1.17 -0.92 0.00 0.00 175.35 174.44 2q4n s LEU 142 N -2.40 4.06 -0.03 3.17 2.96 -0.59 -0.71 118.68 125.13 2q4n s LEU 142 Ca 0.33 0.60 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 2q4n s LEU 142 Cb -0.13 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 2q4n s LEU 142 CO 0.26 -0.33 0.05 -0.55 -1.32 0.00 0.00 176.35 174.46 2q4n s SER 143 N 1.52 5.55 0.17 3.68 0.15 0.69 -1.14 113.70 124.31 2q4n s SER 143 Ca 0.23 0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.95 2q4n s SER 143 Cb -0.16 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 2q4n s SER 143 CO 0.09 0.31 0.28 -0.72 1.20 0.00 0.00 173.24 174.40 2q4n s TYR 144 N -1.09 0.45 -0.04 3.44 -0.85 -1.04 -0.80 117.35 117.42 2q4n s TYR 144 Ca 0.19 -0.81 0.02 0.00 -0.52 0.00 0.00 57.07 55.96 2q4n s TYR 144 Cb -0.12 -0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.15 2q4n s TYR 144 CO 0.10 -0.73 -0.09 0.08 -1.52 0.00 0.00 175.55 173.39 2q4n s VAL 145 N -3.98 0.85 -0.16 -3.49 1.01 0.10 -3.22 120.40 111.52 2q4n s VAL 145 Ca 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2q4n s VAL 145 Cb 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2q4n s VAL 145 CO 0.01 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.65 2q4n s VAL 146 N 0.48 3.76 0.34 2.92 1.01 -0.15 -0.56 120.40 128.21 2q4n s VAL 146 Ca -0.08 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.53 2q4n s VAL 146 Cb -0.12 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2q4n s VAL 146 CO 0.01 0.49 0.27 0.54 0.00 0.00 0.00 175.10 176.41 2q4n n ARG 147 N 3.65 0.98 -4.03 2.72 1.74 0.10 -1.47 116.66 120.35 2q4n n ARG 147 Ca -0.17 -2.12 -0.12 0.00 -0.77 0.00 0.00 57.85 54.66 2q4n n ARG 147 Cb 0.52 0.21 -0.04 0.00 -1.02 0.00 0.00 32.46 32.14 2q4n n ARG 147 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2q4n s SER 149 N -3.01 0.51 0.23 0.55 1.04 -0.79 -2.67 113.70 109.56 2q4n s SER 149 Ca 0.20 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.32 2q4n s SER 149 Cb -0.02 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 2q4n s SER 149 CO 0.13 -1.30 0.23 0.42 0.98 0.00 0.00 173.24 173.70 2q4n s THR 150 N -3.22 0.00 0.51 2.02 -4.23 -0.20 -3.38 115.64 107.14 2q4n s THR 150 Ca 0.27 -1.87 0.23 0.00 -1.18 0.00 0.00 61.69 59.14 2q4n s THR 150 Cb -0.01 -2.45 0.39 0.00 1.34 0.00 0.00 72.50 71.76 2q4n s THR 150 CO 0.16 0.00 1.99 0.74 -0.54 0.00 0.00 174.62 176.97 2q4n h THR 151 N 2.47 0.75 -0.51 3.99 2.02 -1.96 -3.13 112.91 116.54 2q4n h THR 151 Ca -0.32 -0.03 -0.38 0.00 0.77 0.00 0.00 66.41 66.45 2q4n h THR 151 Cb 1.25 0.67 -0.32 0.00 -1.74 0.00 0.00 68.15 68.01 2q4n h THR 151 CO 0.47 0.01 -0.76 0.35 0.37 0.00 0.00 175.52 175.96 2q4n n THR 152 N -4.40 2.29 -3.11 3.16 -2.24 -1.26 -4.90 114.28 103.82 2q4n n THR 152 Ca 0.10 -3.79 0.03 0.00 -2.27 0.00 0.00 64.05 58.13 2q4n n THR 152 Cb 0.58 -0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -3.48 -1.13 0.92 3.42 -0.87 -1.18 -5.17 114.94 107.46 2q4n s ASN 153 Ca 0.45 -0.13 -0.10 0.00 -1.57 0.00 0.00 52.86 51.51 2q4n s ASN 153 Cb 0.39 1.60 0.15 0.00 -0.02 0.00 0.00 41.25 43.37 2q4n s ASN 153 CO -0.00 -0.18 1.13 -2.84 -2.57 0.00 0.00 177.10 172.65 2q4n s PRO 154 N 2.50 0.95 -0.24 -0.60 0.02 -1.26 -1.03 135.00 135.34 2q4n s PRO 154 Ca 0.16 1.48 -0.43 0.00 0.02 0.00 0.00 61.00 62.23 2q4n s PRO 154 Cb -0.05 -1.73 -0.19 0.00 0.02 0.00 0.00 34.50 32.55 2q4n s PRO 154 CO -0.19 -2.65 1.38 -0.11 -0.33 0.00 0.00 177.00 175.09 2q4n n LEU 155 N -4.24 0.82 -3.86 -5.54 7.94 -1.26 -4.64 117.00 106.22 2q4n n LEU 155 Ca 0.11 1.16 -0.07 0.00 -1.11 0.00 0.00 56.01 56.10 2q4n n LEU 155 Cb 0.52 -0.94 -0.01 0.00 0.53 0.00 0.00 43.42 43.52 2q4n n LEU 155 CO 0.50 -1.26 0.47 0.00 -1.11 0.00 0.00 177.39 175.98 2q4n s GLN 156 N 1.64 1.86 0.31 1.96 -2.07 -1.26 -4.95 119.66 117.16 2q4n s GLN 156 Ca 0.97 -1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 53.14 2q4n s GLN 156 Cb -1.34 0.61 -0.13 0.00 -1.09 0.00 0.00 33.01 31.06 2q4n s GLN 156 CO 0.68 -0.85 1.25 -2.30 -1.32 0.00 0.00 175.29 172.75 2q4n n PRO 157 N -0.47 1.95 0.00 9.60 -0.02 -1.26 -4.39 135.00 140.41 2q4n n PRO 157 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2q4n n PRO 157 Cb 0.59 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.59 0.00 -3.77 6.00 -0.00 -0.54 -4.57 115.22 112.93 2q4n n HIS 158 Ca 0.07 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.12 2q4n n HIS 158 Cb 0.34 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.11 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 -3.26 0.87 -0.09 0.27 1.43 -1.13 -2.02 118.68 114.76 2q4n s LEU 159 Ca 0.00 0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2q4n s LEU 159 Cb 0.00 1.09 0.02 0.00 0.03 0.00 0.00 46.19 47.33 2q4n s LEU 159 CO 0.00 -0.21 0.25 -1.59 0.23 0.00 0.00 176.35 175.04 2q4n s LYS 160 N -0.30 0.33 0.14 1.70 -2.85 0.05 -0.97 119.74 117.85 2q4n s LYS 160 Ca -0.04 0.28 -0.14 0.00 -1.00 0.00 0.00 55.97 55.08 2q4n s LYS 160 Cb -0.03 0.16 0.02 0.00 -2.06 0.00 0.00 37.83 35.92 2q4n s LYS 160 CO 0.01 -0.05 0.36 0.00 0.10 0.00 0.00 175.35 175.78 2q4n s ALA 161 N -0.03 -0.63 -0.03 0.59 0.00 -1.20 -0.26 121.76 120.19 2q4n s ALA 161 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.62 2q4n s ALA 161 Cb -0.02 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.83 2q4n s ALA 161 CO 0.01 -0.65 -0.06 0.42 0.00 0.00 0.00 175.76 175.48 2q4n s ILE 162 N -3.86 0.60 -0.01 0.00 1.01 -0.90 -2.48 121.20 115.55 2q4n s ILE 162 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2q4n s ILE 162 Cb 0.02 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.91 2q4n s ILE 162 CO -0.08 0.22 -0.10 -0.76 0.00 0.00 0.00 174.94 174.22 2q4n s LEU 163 N 0.58 1.95 0.14 2.97 1.02 -0.29 -2.40 118.68 122.65 2q4n s LEU 163 Ca -0.08 -0.19 -0.21 0.00 0.02 0.00 0.00 54.13 53.67 2q4n s LEU 163 Cb -0.11 -0.54 -0.07 0.00 0.02 0.00 0.00 46.19 45.48 2q4n s LEU 163 CO 0.00 0.11 0.68 -1.81 0.02 0.00 0.00 176.35 175.35 2q4n s ASP 164 N -0.11 7.18 0.12 2.29 1.01 0.33 -1.54 116.67 125.95 2q4n s ASP 164 Ca 0.02 1.43 -0.30 0.00 0.71 0.00 0.00 52.55 54.41 2q4n s ASP 164 Cb -0.05 -2.42 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 2q4n s ASP 164 CO -0.00 0.20 1.07 -0.75 0.21 0.00 0.00 175.17 175.89 2q4n s LYS 165 N -1.32 4.59 0.00 8.23 2.20 -1.26 -1.58 119.74 130.59 2q4n s LYS 165 Ca 0.35 1.62 0.29 0.00 -0.36 0.00 0.00 55.97 57.87 2q4n s LYS 165 Cb -0.20 -3.34 1.30 0.00 -1.51 0.00 0.00 37.83 34.08 2q4n s LYS 165 CO 0.22 0.03 1.89 1.28 -0.36 0.00 0.00 175.35 178.41