#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 0.26 -0.23 0.52 0.04 -1.26 -4.66 135.00 129.67 2q4n s PRO 15 Ca 0.00 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.95 2q4n s PRO 15 Cb 0.00 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2q4n s PRO 15 CO 0.00 -3.04 0.97 0.08 0.04 0.00 0.00 177.00 175.06 2q4n s VAL 16 N -2.60 4.73 0.52 -0.36 1.01 -1.26 -4.32 120.40 118.12 2q4n s VAL 16 Ca 0.67 1.89 -0.21 0.00 0.00 0.00 0.00 61.98 64.33 2q4n s VAL 16 Cb -0.23 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 2q4n s VAL 16 CO 0.61 -0.14 1.00 1.57 0.00 0.00 0.00 175.10 178.13 2q4n n HIS 17 N 6.16 1.03 0.21 5.22 -0.00 -1.26 -4.69 115.22 121.90 2q4n n HIS 17 Ca 0.10 0.48 0.13 0.00 0.46 0.00 0.00 57.72 58.89 2q4n n HIS 17 Cb 0.47 -2.19 0.74 0.00 -0.12 0.00 0.00 29.99 28.89 2q4n n HIS 17 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2q4n h PRO 18 N 1.02 0.00 0.00 1.57 0.11 -1.95 0.07 132.00 132.82 2q4n h PRO 18 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2q4n h PRO 18 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2q4n h PRO 18 CO 0.54 0.00 -0.27 0.74 -0.21 0.00 0.00 178.00 178.79 2q4n h PHE 19 N 0.00 0.00 0.00 0.65 -1.00 -1.90 -3.32 116.94 111.38 2q4n h PHE 19 Ca 0.06 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.54 2q4n h PHE 19 Cb 0.28 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 39.79 2q4n h PHE 19 CO 0.00 0.27 -1.76 0.28 -1.61 0.00 0.00 178.31 175.49 2q4n n VAL 20 N -3.25 1.60 -0.29 -0.55 0.31 -0.14 -4.33 118.33 111.69 2q4n n VAL 20 Ca 0.02 -0.80 0.18 0.00 -0.01 0.00 0.00 64.34 63.73 2q4n n VAL 20 Cb 0.56 -1.02 0.46 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.97 2.08 0.00 3.52 0.00 -1.23 0.16 119.26 124.75 2q4n h ALA 21 Ca -0.31 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2q4n h ALA 21 Cb 2.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2q4n h ALA 21 CO 0.08 -0.40 -0.16 -1.35 0.00 0.00 0.00 179.25 177.42 2q4n h PRO 22 N 0.50 0.00 -0.59 0.00 0.11 -1.78 0.09 132.00 130.33 2q4n h PRO 22 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2q4n h PRO 22 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2q4n h PRO 22 CO -0.25 0.16 0.00 1.28 -0.21 0.00 0.00 178.00 178.98 2q4n n LEU 23 N -3.73 3.75 0.32 2.35 4.77 0.38 -4.66 117.00 120.18 2q4n n LEU 23 Ca -0.02 -2.09 0.12 0.00 -0.03 0.00 0.00 56.01 54.00 2q4n n LEU 23 Cb 0.27 -0.42 0.65 0.00 -2.33 0.00 0.00 43.42 41.59 2q4n n LEU 23 CO 0.32 0.88 1.08 0.77 -1.33 0.00 0.00 177.39 179.10 2q4n h SER 24 N 3.49 0.00 0.21 -1.43 4.64 0.83 -1.74 113.55 119.56 2q4n h SER 24 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q4n h SER 24 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2q4n h SER 24 CO 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2q4n n TYR 25 N -2.75 0.58 0.14 4.77 0.18 -1.26 -2.08 117.16 116.73 2q4n n TYR 25 Ca -0.02 0.28 0.04 0.00 1.88 0.00 0.00 57.90 60.08 2q4n n TYR 25 Cb 0.47 -0.95 0.03 0.00 -0.38 0.00 0.00 39.34 38.51 2q4n n TYR 25 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2q4n h LEU 26 N 0.00 0.00 -9.62 -3.48 3.38 -1.71 -3.48 115.31 100.40 2q4n h LEU 26 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2q4n h LEU 26 Cb 0.11 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.90 2q4n h LEU 26 CO 0.00 0.42 0.91 -0.76 0.09 0.00 0.00 178.44 179.10 2q4n s LEU 27 N -6.29 4.37 0.00 1.67 1.43 -0.88 -4.47 118.68 114.50 2q4n s LEU 27 Ca 0.03 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 2q4n s LEU 27 Cb 0.07 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2q4n s LEU 27 CO 0.75 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2q4n n GLY 28 N 3.81 0.68 3.34 -3.19 0.00 -0.45 -4.97 105.19 104.42 2q4n n GLY 28 Ca 0.14 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.03 2.11 -0.01 2.61 2.01 -1.26 -1.29 115.64 118.78 2q4n s THR 29 Ca 0.00 -1.45 0.03 0.00 0.31 0.00 0.00 61.69 60.58 2q4n s THR 29 Cb 0.00 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2q4n s THR 29 CO 0.00 0.29 -0.11 0.26 -0.69 0.00 0.00 174.62 174.37 2q4n s TRP 30 N -0.86 0.98 -0.00 4.92 0.52 0.02 -0.90 118.94 123.62 2q4n s TRP 30 Ca 0.12 -0.20 0.00 0.00 0.02 0.00 0.00 56.10 56.04 2q4n s TRP 30 Cb -0.10 -0.64 0.00 0.00 -1.15 0.00 0.00 33.47 31.58 2q4n s TRP 30 CO 0.03 -0.03 -0.01 0.50 0.02 0.00 0.00 176.95 177.46 2q4n s ARG 31 N -0.16 0.07 0.00 4.98 3.52 -0.01 -0.72 118.95 126.63 2q4n s ARG 31 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 2q4n s ARG 31 Cb -0.05 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 2q4n s ARG 31 CO -0.00 0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 2q4n n GLY 32 N 3.09 3.20 3.58 8.12 0.00 -0.69 -0.35 105.19 122.13 2q4n n GLY 32 Ca -0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 4.62 0.74 0.00 1.61 -2.07 -1.22 -3.06 119.66 120.27 2q4n s GLN 33 Ca 0.00 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 2q4n s GLN 33 Cb 0.00 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2q4n s GLN 33 CO 0.00 -0.33 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 2q4n n GLY 34 N -0.27 3.94 2.91 2.60 0.00 -0.36 -3.51 105.19 110.50 2q4n n GLY 34 Ca -0.06 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.34 0.04 0.20 1.61 2.02 -0.08 -1.87 118.70 119.28 2q4n s GLU 35 Ca 0.00 0.06 0.11 0.00 0.02 0.00 0.00 54.97 55.16 2q4n s GLU 35 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 2q4n s GLU 35 CO 0.00 -0.01 -0.22 0.20 0.02 0.00 0.00 175.26 175.24 2q4n s GLY 36 N 0.07 1.67 0.16 -1.39 0.00 -0.20 -1.79 107.32 105.84 2q4n s GLY 36 Ca -0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 44.72 42.84 2q4n s GLY 36 CO -0.00 -1.68 0.73 -1.83 0.00 0.00 0.00 173.10 170.32 2q4n s GLU 37 N -2.79 1.32 0.00 2.90 -1.05 0.66 -2.50 118.70 117.24 2q4n s GLU 37 Ca 0.21 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.42 2q4n s GLU 37 Cb -0.07 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2q4n s GLU 37 CO 0.10 -0.59 0.00 0.98 0.95 0.00 0.00 175.26 176.70 2q4n n TYR 38 N -0.39 0.00 -0.15 4.83 9.36 -1.26 -4.11 117.16 125.45 2q4n n TYR 38 Ca -0.11 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.16 2q4n n TYR 38 Cb 0.62 0.00 0.36 0.00 -0.63 0.00 0.00 39.34 39.69 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 0.72 -0.06 2.98 0.11 -2.01 -2.38 132.00 131.36 2q4n h PRO 39 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2q4n h PRO 39 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2q4n h PRO 39 CO 0.00 0.48 0.00 0.25 -0.21 0.00 0.00 178.00 178.52 2q4n n THR 40 N -4.47 0.07 -4.06 -1.15 -2.24 -1.26 -4.91 114.28 96.27 2q4n n THR 40 Ca 0.09 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 2q4n n THR 40 Cb 0.16 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.93 0.05 0.22 2.28 -5.25 -0.90 -5.16 121.20 110.52 2q4n s ILE 41 Ca 0.27 -1.64 -0.14 0.00 -0.99 0.00 0.00 60.65 58.14 2q4n s ILE 41 Cb 0.13 -2.09 -0.08 0.00 2.95 0.00 0.00 42.46 43.37 2q4n s ILE 41 CO 0.21 -0.22 0.63 -2.16 -1.79 0.00 0.00 174.94 171.61 2q4n s PRO 42 N -4.04 4.00 0.68 0.37 0.04 -1.26 -4.42 135.00 130.36 2q4n s PRO 42 Ca 0.24 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 2q4n s PRO 42 Cb 0.04 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.85 2q4n s PRO 42 CO 0.05 0.35 1.26 -1.13 0.04 0.00 0.00 177.00 177.56 2q4n n SER 43 N 0.30 1.80 -3.85 6.66 3.41 -1.26 -4.86 113.62 115.81 2q4n n SER 43 Ca -0.01 0.78 -0.09 0.00 -0.26 0.00 0.00 58.87 59.29 2q4n n SER 43 Cb 0.52 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.86 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 -1.54 0.16 0.23 7.33 -0.71 -1.04 -5.02 117.98 117.39 2q4n s PHE 44 Ca 0.81 -0.57 0.09 0.00 -1.04 0.00 0.00 56.93 56.21 2q4n s PHE 44 Cb -0.36 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.36 2q4n s PHE 44 CO 0.43 -0.57 -0.15 1.03 -1.34 0.00 0.00 175.22 174.62 2q4n s ARG 45 N -3.87 1.42 0.21 1.99 0.52 -1.26 -1.04 118.95 116.92 2q4n s ARG 45 Ca 0.06 -1.64 -0.23 0.00 -0.52 0.00 0.00 55.73 53.40 2q4n s ARG 45 Cb 0.05 -1.26 0.05 0.00 0.52 0.00 0.00 34.95 34.30 2q4n s ARG 45 CO -0.10 0.20 0.70 1.52 0.02 0.00 0.00 175.30 177.64 2q4n s TYR 46 N -2.88 -0.34 0.07 -0.53 1.13 -0.78 -4.71 117.35 109.32 2q4n s TYR 46 Ca 0.25 0.01 -0.11 0.00 -1.41 0.00 0.00 57.07 55.81 2q4n s TYR 46 Cb -0.01 0.63 -0.06 0.00 -1.10 0.00 0.00 41.96 41.42 2q4n s TYR 46 CO 0.09 -1.01 0.41 0.20 -2.51 0.00 0.00 175.55 172.73 2q4n s GLY 47 N -2.83 2.37 0.06 5.49 0.00 0.28 -1.22 107.32 111.47 2q4n s GLY 47 Ca 0.07 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.50 2q4n s GLY 47 CO -0.02 -0.09 -0.14 1.85 0.00 0.00 0.00 173.10 174.70 2q4n s GLU 48 N -1.78 0.85 -0.00 2.90 2.12 -1.17 -1.68 118.70 119.94 2q4n s GLU 48 Ca 0.32 -0.90 0.02 0.00 0.36 0.00 0.00 54.97 54.77 2q4n s GLU 48 Cb -0.14 -0.86 -0.01 0.00 0.26 0.00 0.00 34.13 33.37 2q4n s GLU 48 CO 0.17 0.20 -0.07 -2.00 -0.54 0.00 0.00 175.26 173.02 2q4n s GLU 49 N -1.57 0.59 -0.02 4.30 2.12 -0.76 -1.71 118.70 121.66 2q4n s GLU 49 Ca -0.01 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.03 2q4n s GLU 49 Cb -0.09 -0.56 0.01 0.00 0.26 0.00 0.00 34.13 33.75 2q4n s GLU 49 CO 0.02 0.15 -0.05 0.42 -0.54 0.00 0.00 175.26 175.26 2q4n s ILE 50 N -0.26 0.45 -0.10 -3.70 1.01 0.10 -2.02 121.20 116.67 2q4n s ILE 50 Ca 0.02 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2q4n s ILE 50 Cb -0.03 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 42.00 2q4n s ILE 50 CO -0.00 0.16 -0.19 -0.60 0.00 0.00 0.00 174.94 174.31 2q4n s ARG 51 N 0.29 3.09 -0.09 2.79 3.52 0.45 -0.80 118.95 128.21 2q4n s ARG 51 Ca -0.03 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2q4n s ARG 51 Cb -0.07 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 2q4n s ARG 51 CO -0.00 0.24 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.45 2q4n s PHE 52 N 0.22 2.58 0.31 5.12 0.08 -0.41 -0.44 117.98 125.43 2q4n s PHE 52 Ca -0.12 -0.87 -0.10 0.00 0.12 0.00 0.00 56.93 55.96 2q4n s PHE 52 Cb -0.16 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.60 2q4n s PHE 52 CO 0.07 -0.31 0.53 -1.54 -0.10 0.00 0.00 175.22 173.86 2q4n s SER 53 N 0.17 0.30 0.29 1.36 1.04 -0.30 -1.34 113.70 115.23 2q4n s SER 53 Ca -0.13 -1.17 -0.08 0.00 0.48 0.00 0.00 55.95 55.06 2q4n s SER 53 Cb -0.16 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2q4n s SER 53 CO 0.07 -1.29 0.47 -1.38 0.98 0.00 0.00 173.24 172.09 2q4n s HIS 54 N -3.38 0.70 -0.22 5.02 -3.43 -1.26 -0.34 115.29 112.39 2q4n s HIS 54 Ca 0.24 -1.02 0.21 0.00 -0.80 0.00 0.00 55.06 53.68 2q4n s HIS 54 Cb -0.01 0.06 0.49 0.00 -1.43 0.00 0.00 32.58 31.69 2q4n s HIS 54 CO 0.14 -1.07 1.14 -1.13 -2.00 0.00 0.00 174.74 171.81 2q4n n SER 55 N -0.89 1.99 0.00 7.38 3.41 -1.26 -4.97 113.62 119.28 2q4n n SER 55 Ca -0.01 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.25 2q4n n SER 55 Cb 0.62 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.46 3.04 3.90 5.00 0.00 -1.26 -4.96 105.19 110.46 2q4n n GLY 56 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.29 2.48 -1.07 1.61 -0.14 -1.26 -4.41 119.74 116.66 2q4n s LYS 57 Ca 0.00 0.15 -0.08 0.00 -1.36 0.00 0.00 55.97 54.68 2q4n s LYS 57 Cb 0.00 -2.07 -0.11 0.00 -1.68 0.00 0.00 37.83 33.97 2q4n s LYS 57 CO 0.00 -1.18 3.09 -0.35 -0.76 0.00 0.00 175.35 176.15 2q4n n PRO 58 N -3.01 3.24 -3.69 -1.68 -0.04 -1.26 -4.68 135.00 123.88 2q4n n PRO 58 Ca 0.07 -1.99 -0.14 0.00 -0.04 0.00 0.00 63.50 61.41 2q4n n PRO 58 Cb 0.59 -2.52 -0.09 0.00 -0.04 0.00 0.00 33.50 31.44 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 1.29 0.00 -0.22 0.52 1.01 -1.26 -4.60 120.40 117.15 2q4n s VAL 59 Ca 0.67 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 2q4n s VAL 59 Cb 0.23 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2q4n s VAL 59 CO -0.05 -0.02 -0.02 -0.63 0.00 0.00 0.00 175.10 174.38 2q4n s ILE 60 N 0.04 3.66 -0.14 2.22 1.01 0.16 -4.51 121.20 123.63 2q4n s ILE 60 Ca -0.02 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.98 2q4n s ILE 60 Cb -0.03 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 2q4n s ILE 60 CO 0.02 0.41 0.80 0.00 0.00 0.00 0.00 174.94 176.17 2q4n s ALA 61 N 1.33 3.47 -0.00 9.38 0.00 0.54 0.03 121.76 136.50 2q4n s ALA 61 Ca 0.04 0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.12 2q4n s ALA 61 Cb -0.14 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2q4n s ALA 61 CO -0.00 -0.53 -0.17 -0.47 0.00 0.00 0.00 175.76 174.58 2q4n s TYR 62 N 1.84 2.59 -0.02 0.00 5.04 -0.94 -1.15 117.35 124.71 2q4n s TYR 62 Ca 0.38 -0.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2q4n s TYR 62 Cb -0.17 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.63 2q4n s TYR 62 CO 0.14 0.19 0.01 0.95 -1.34 0.00 0.00 175.55 175.50 2q4n s THR 63 N -0.81 0.10 0.02 4.34 -4.23 0.41 -2.77 115.64 112.71 2q4n s THR 63 Ca 0.13 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2q4n s THR 63 Cb -0.10 -0.20 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 2q4n s THR 63 CO 0.03 0.12 -0.04 -1.58 -0.54 0.00 0.00 174.62 172.61 2q4n s GLN 64 N 0.97 0.32 0.09 3.99 -0.44 -0.76 -0.41 119.66 123.43 2q4n s GLN 64 Ca -0.09 -0.54 -0.11 0.00 -2.50 0.00 0.00 55.36 52.12 2q4n s GLN 64 Cb -0.13 -0.01 0.01 0.00 -1.64 0.00 0.00 33.01 31.24 2q4n s GLN 64 CO -0.02 -0.01 0.25 -1.59 0.50 0.00 0.00 175.29 174.41 2q4n s LYS 65 N -1.24 0.90 0.20 1.67 -2.85 -0.86 -1.89 119.74 115.66 2q4n s LYS 65 Ca -0.12 -0.87 0.02 0.00 -1.00 0.00 0.00 55.97 54.00 2q4n s LYS 65 Cb -0.08 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 2q4n s LYS 65 CO -0.01 -0.30 0.02 0.95 0.10 0.00 0.00 175.35 176.12 2q4n s THR 66 N -3.76 0.66 -0.08 3.79 -4.23 -0.51 -1.82 115.64 109.69 2q4n s THR 66 Ca 0.04 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 2q4n s THR 66 Cb 0.04 -2.25 0.11 0.00 1.34 0.00 0.00 72.50 71.73 2q4n s THR 66 CO -0.11 -0.35 0.89 -1.66 -0.54 0.00 0.00 174.62 172.84 2q4n s TRP 67 N -3.67 -0.43 0.20 3.99 -2.14 -0.68 -3.08 118.94 113.13 2q4n s TRP 67 Ca 0.27 0.60 -0.32 0.00 2.66 0.00 0.00 56.10 59.32 2q4n s TRP 67 Cb 0.06 0.47 -0.11 0.00 -3.10 0.00 0.00 33.47 30.80 2q4n s TRP 67 CO 0.06 -0.47 1.63 0.15 -2.66 0.00 0.00 176.95 175.66 2q4n s LYS 68 N -1.81 4.17 0.39 3.25 1.02 -0.51 1.00 119.74 127.25 2q4n s LYS 68 Ca -0.02 2.47 0.06 0.00 0.02 0.00 0.00 55.97 58.51 2q4n s LYS 68 Cb -0.01 -3.11 0.78 0.00 -0.52 0.00 0.00 37.83 34.97 2q4n s LYS 68 CO -0.00 -0.66 2.01 -0.07 -0.92 0.00 0.00 175.35 175.71 2q4n h LEU 69 N 6.58 0.49 -0.09 3.17 3.38 -1.87 0.20 115.31 127.16 2q4n h LEU 69 Ca -0.43 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 2q4n h LEU 69 Cb 1.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2q4n h LEU 69 CO 0.92 0.41 -0.31 1.05 0.09 0.00 0.00 178.44 180.60 2q4n h GLU 70 N 0.56 0.36 0.00 1.13 4.11 -1.99 -3.35 114.58 115.40 2q4n h GLU 70 Ca 0.14 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2q4n h GLU 70 Cb 0.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2q4n h GLU 70 CO -0.02 0.90 -1.90 -1.13 0.07 0.00 0.00 179.01 176.93 2q4n n SER 71 N -4.43 0.18 -0.20 3.06 3.41 -1.22 -4.98 113.62 109.45 2q4n n SER 71 Ca -0.08 -0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.43 2q4n n SER 71 Cb 0.49 1.90 -0.01 0.00 -0.26 0.00 0.00 64.21 66.33 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 1.30 0.58 3.72 5.00 0.00 0.69 -4.98 105.19 111.50 2q4n n GLY 72 Ca -0.03 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.97 3.68 1.12 4.61 0.00 -1.23 -4.71 121.76 123.27 2q4n s ALA 73 Ca 0.00 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.05 2q4n s ALA 73 Cb 0.00 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.73 2q4n s ALA 73 CO 0.00 -0.72 0.58 -2.30 0.00 0.00 0.00 175.76 173.32 2q4n n PRO 74 N 4.05 -1.85 -2.47 0.00 -0.02 -1.26 -1.43 135.00 132.02 2q4n n PRO 74 Ca 0.13 -0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 60.85 2q4n n PRO 74 Cb 0.40 -1.97 0.13 0.00 -0.02 0.00 0.00 33.50 32.04 2q4n n PRO 74 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2q4n s HIS 76 N -2.35 1.45 0.14 6.00 3.76 -1.18 -4.78 115.29 118.32 2q4n s HIS 76 Ca 0.63 -0.21 -0.21 0.00 -0.15 0.00 0.00 55.06 55.11 2q4n s HIS 76 Cb -0.20 -3.21 0.06 0.00 1.11 0.00 0.00 32.58 30.34 2q4n s HIS 76 CO 0.65 -1.96 0.53 0.00 -0.85 0.00 0.00 174.74 173.12 2q4n s ALA 77 N -3.30 -1.38 0.09 -1.40 0.00 -1.26 -1.43 121.76 113.07 2q4n s ALA 77 Ca 0.69 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 2q4n s ALA 77 Cb -0.04 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.87 2q4n s ALA 77 CO 0.46 -0.70 0.33 -1.83 0.00 0.00 0.00 175.76 174.02 2q4n s GLU 78 N -3.61 0.94 -0.05 0.00 -1.05 -0.79 -0.73 118.70 113.41 2q4n s GLU 78 Ca 0.01 -0.67 -0.06 0.00 -0.15 0.00 0.00 54.97 54.10 2q4n s GLU 78 Cb -0.00 0.41 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2q4n s GLU 78 CO -0.11 -0.33 0.16 0.45 0.95 0.00 0.00 175.26 176.38 2q4n s SER 79 N -2.54 -0.14 0.00 0.83 0.15 0.19 -1.83 113.70 110.36 2q4n s SER 79 Ca 0.00 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2q4n s SER 79 Cb 0.02 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2q4n s SER 79 CO -0.08 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2q4n n GLY 80 N 2.73 2.13 2.79 9.45 0.00 -1.11 -0.60 105.19 120.58 2q4n n GLY 80 Ca -0.14 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 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 -6.38 0.33 -0.30 1.61 2.02 0.11 -2.20 117.35 112.54 2q4n s TYR 81 Ca 0.00 0.01 -0.18 0.00 -0.37 0.00 0.00 57.07 56.53 2q4n s TYR 81 Cb 0.00 -0.48 -0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2q4n s TYR 81 CO 0.00 -0.17 0.52 -0.06 -1.57 0.00 0.00 175.55 174.27 2q4n s PHE 82 N 1.36 3.22 -0.61 2.71 0.40 0.10 -0.94 117.98 124.23 2q4n s PHE 82 Ca -0.05 0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.76 2q4n s PHE 82 Cb -0.13 -2.83 0.15 0.00 0.51 0.00 0.00 43.02 40.72 2q4n s PHE 82 CO -0.02 -0.41 0.38 1.03 0.70 0.00 0.00 175.22 176.90 2q4n s ARG 83 N 2.38 2.19 0.47 0.44 0.52 0.05 0.38 118.95 125.37 2q4n s ARG 83 Ca 0.20 -2.98 -0.02 0.00 -0.52 0.00 0.00 55.73 52.41 2q4n s ARG 83 Cb -0.15 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 2q4n s ARG 83 CO 0.11 -1.21 0.73 -1.25 0.02 0.00 0.00 175.30 173.70 2q4n s PRO 84 N -0.87 3.25 -0.00 3.54 0.04 -1.26 -2.30 135.00 137.39 2q4n s PRO 84 Ca 0.21 -0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.01 2q4n s PRO 84 Cb -0.14 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2q4n s PRO 84 CO -0.09 -0.26 0.14 1.03 0.04 0.00 0.00 177.00 177.86 2q4n s ARG 85 N -4.65 0.46 0.45 4.56 0.52 -1.21 -4.75 118.95 114.32 2q4n s ARG 85 Ca 0.48 -0.34 0.23 0.00 -0.52 0.00 0.00 55.73 55.58 2q4n s ARG 85 Cb -0.10 0.19 1.23 0.00 0.52 0.00 0.00 34.95 36.79 2q4n s ARG 85 CO 0.41 -0.11 1.81 -1.35 0.02 0.00 0.00 175.30 176.08 2q4n h PRO 86 N 4.43 0.26 0.00 3.54 0.11 -1.90 0.28 132.00 138.71 2q4n h PRO 86 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2q4n h PRO 86 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2q4n h PRO 86 CO 0.41 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 2q4n n ASP 87 N -4.47 0.03 0.00 -2.05 5.75 -1.26 -4.93 116.55 109.61 2q4n n ASP 87 Ca 0.23 0.51 0.00 0.00 -0.01 0.00 0.00 54.79 55.52 2q4n n ASP 87 Cb 0.92 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.49 0.67 3.84 6.12 0.00 0.98 -5.03 105.19 111.29 2q4n n GLY 88 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.86 4.66 -0.18 1.61 1.04 -1.26 -0.43 113.70 116.28 2q4n s SER 89 Ca 0.00 1.11 -0.17 0.00 0.48 0.00 0.00 55.95 57.37 2q4n s SER 89 Cb 0.00 -1.80 0.05 0.00 0.10 0.00 0.00 66.02 64.37 2q4n s SER 89 CO 0.00 -1.84 0.48 -0.51 0.98 0.00 0.00 173.24 172.35 2q4n s ILE 90 N -3.31 -0.00 -0.06 -1.02 2.07 0.18 -3.33 121.20 115.72 2q4n s ILE 90 Ca 0.61 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 2q4n s ILE 90 Cb -0.13 -0.68 -0.00 0.00 0.13 0.00 0.00 42.46 41.79 2q4n s ILE 90 CO 0.52 0.00 -0.19 -1.83 -1.91 0.00 0.00 174.94 171.54 2q4n s GLU 91 N 0.29 2.17 -0.02 3.50 -1.05 -0.97 -1.16 118.70 121.46 2q4n s GLU 91 Ca -0.00 -0.67 0.03 0.00 -0.15 0.00 0.00 54.97 54.17 2q4n s GLU 91 Cb -0.03 -1.78 -0.00 0.00 -0.44 0.00 0.00 34.13 31.87 2q4n s GLU 91 CO 0.00 0.20 -0.10 0.08 0.95 0.00 0.00 175.26 176.39 2q4n s VAL 92 N 0.21 0.85 -0.09 1.83 1.01 -0.39 -0.77 120.40 123.06 2q4n s VAL 92 Ca -0.10 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2q4n s VAL 92 Cb -0.14 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2q4n s VAL 92 CO 0.04 0.26 -0.10 0.68 0.00 0.00 0.00 175.10 175.98 2q4n s VAL 93 N 0.06 3.40 -0.00 2.92 -7.23 -0.11 -1.28 120.40 118.15 2q4n s VAL 93 Ca -0.01 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.61 2q4n s VAL 93 Cb -0.08 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 2q4n s VAL 93 CO 0.00 0.57 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.66 2q4n s ILE 94 N -0.37 0.57 -0.10 -0.62 1.01 -0.19 0.07 121.20 121.57 2q4n s ILE 94 Ca 0.05 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2q4n s ILE 94 Cb -0.12 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2q4n s ILE 94 CO 0.02 0.14 -0.22 0.00 0.00 0.00 0.00 174.94 174.88 2q4n s ALA 95 N -0.22 2.05 0.14 9.38 0.00 0.23 -1.40 121.76 131.94 2q4n s ALA 95 Ca 0.02 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.15 2q4n s ALA 95 Cb -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 2q4n s ALA 95 CO -0.00 0.23 -0.06 -0.65 0.00 0.00 0.00 175.76 175.28 2q4n s GLN 96 N 0.44 2.22 0.59 0.00 -0.21 -0.51 0.55 119.66 122.74 2q4n s GLN 96 Ca -0.17 -1.09 0.38 0.00 0.02 0.00 0.00 55.36 54.49 2q4n s GLN 96 Cb -0.17 -2.30 1.78 0.00 1.00 0.00 0.00 33.01 33.31 2q4n s GLN 96 CO 0.07 0.48 2.13 0.66 -2.12 0.00 0.00 175.29 176.51 2q4n h SER 97 N 3.16 0.00 0.99 5.90 4.64 -1.26 -1.60 113.55 125.37 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 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2q4n h SER 97 CO 0.55 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.22 2q4n h THR 98 N 0.00 0.00 0.00 2.95 1.35 -1.96 -3.47 112.91 111.78 2q4n h THR 98 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2q4n h THR 98 Cb 0.30 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 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 -0.00 1.42 3.44 5.82 0.00 -0.60 -5.15 105.19 110.12 2q4n n GLY 99 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 2.59 0.00 0.99 1.02 -1.24 -4.83 118.68 117.20 2q4n s LEU 100 Ca 0.00 -1.04 0.06 0.00 0.02 0.00 0.00 54.13 53.17 2q4n s LEU 100 Cb 0.00 -0.98 0.06 0.00 0.02 0.00 0.00 46.19 45.28 2q4n s LEU 100 CO 0.00 -0.03 0.47 1.33 0.02 0.00 0.00 176.35 178.14 2q4n n VAL 101 N -0.57 0.00 -3.64 -1.59 0.24 -0.95 -1.43 118.33 110.39 2q4n n VAL 101 Ca -0.06 -1.76 -0.05 0.00 -2.04 0.00 0.00 64.34 60.43 2q4n n VAL 101 Cb 0.60 -0.28 -0.07 0.00 -1.47 0.00 0.00 33.84 32.63 2q4n n VAL 101 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2q4n s GLU 102 N -4.01 0.39 -0.15 7.34 -1.05 -0.50 -3.01 118.70 117.71 2q4n s GLU 102 Ca 0.35 0.56 -0.06 0.00 -0.15 0.00 0.00 54.97 55.67 2q4n s GLU 102 Cb -0.03 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2q4n s GLU 102 CO 0.22 -0.06 0.07 0.08 0.95 0.00 0.00 175.26 176.52 2q4n s VAL 103 N 0.77 4.87 -0.13 1.83 1.01 0.84 -1.02 120.40 128.57 2q4n s VAL 103 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2q4n s VAL 103 Cb -0.04 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2q4n s VAL 103 CO -0.11 0.53 -0.05 -1.10 0.00 0.00 0.00 175.10 174.36 2q4n s GLN 104 N -0.21 1.33 0.11 2.72 -1.52 -0.41 -1.54 119.66 120.15 2q4n s GLN 104 Ca 0.08 -0.32 0.10 0.00 -1.95 0.00 0.00 55.36 53.27 2q4n s GLN 104 Cb -0.12 -1.70 -0.04 0.00 -0.22 0.00 0.00 33.01 30.93 2q4n s GLN 104 CO 0.01 -0.35 -0.26 0.15 -0.25 0.00 0.00 175.29 174.59 2q4n s LYS 105 N 1.72 1.51 0.00 2.91 1.02 -0.73 -1.26 119.74 124.92 2q4n s LYS 105 Ca 0.03 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2q4n s LYS 105 Cb -0.14 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.23 2q4n s LYS 105 CO -0.08 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 2q4n n GLY 106 N 1.04 -0.96 3.16 -3.33 0.00 -0.30 -2.17 105.19 102.63 2q4n n GLY 106 Ca -0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.96 0.37 0.27 2.61 -4.23 -0.90 0.50 115.64 110.31 2q4n s THR 107 Ca 0.00 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.68 2q4n s THR 107 Cb 0.00 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 2q4n s THR 107 CO 0.00 -0.66 -0.11 -0.72 -0.54 0.00 0.00 174.62 172.60 2q4n s TYR 108 N -3.85 1.99 -0.16 3.99 -0.85 0.43 -1.77 117.35 117.13 2q4n s TYR 108 Ca 0.18 -0.59 -0.00 0.00 -0.52 0.00 0.00 57.07 56.14 2q4n s TYR 108 Cb 0.07 -1.04 0.03 0.00 0.38 0.00 0.00 41.96 41.40 2q4n s TYR 108 CO -0.01 0.40 -0.08 1.21 -1.52 0.00 0.00 175.55 175.54 2q4n s ASN 109 N -3.44 2.78 0.14 -0.18 3.84 -0.29 -4.87 114.94 112.92 2q4n s ASN 109 Ca 0.28 -0.60 -0.18 0.00 0.21 0.00 0.00 52.86 52.57 2q4n s ASN 109 Cb 0.01 -1.01 -0.03 0.00 -0.55 0.00 0.00 41.25 39.67 2q4n s ASN 109 CO 0.11 -0.14 1.79 0.58 -2.79 0.00 0.00 177.10 176.66 2q4n h VAL 110 N 6.28 1.06 0.00 -5.21 2.07 -1.92 -2.27 116.25 116.26 2q4n h VAL 110 Ca -0.29 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2q4n h VAL 110 Cb 1.12 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2q4n h VAL 110 CO 0.44 0.07 -0.80 0.44 0.02 0.00 0.00 177.57 177.73 2q4n h ASP 111 N 0.37 0.00 -0.06 0.57 3.32 -1.97 -3.20 116.42 115.46 2q4n h ASP 111 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2q4n h ASP 111 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2q4n h ASP 111 CO -0.03 0.61 0.00 -0.62 -1.72 0.00 0.00 179.24 177.48 2q4n n GLU 112 N -3.17 1.77 -3.95 3.56 1.02 -1.23 -4.96 120.64 113.68 2q4n n GLU 112 Ca -0.01 -1.13 -0.36 0.00 -0.02 0.00 0.00 57.16 55.64 2q4n n GLU 112 Cb 0.80 -1.46 0.01 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.36 -1.18 -4.38 3.49 6.02 -0.88 -4.70 117.38 116.11 2q4n n GLN 113 Ca 0.18 0.26 -0.21 0.00 -0.01 0.00 0.00 57.00 57.22 2q4n n GLN 113 Cb 0.38 -3.53 -0.10 0.00 1.02 0.00 0.00 30.24 28.01 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 -3.76 2.94 -0.24 1.08 1.04 -1.05 -2.29 113.70 111.42 2q4n s SER 114 Ca 0.34 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.76 2q4n s SER 114 Cb -0.16 -0.20 0.11 0.00 0.10 0.00 0.00 66.02 65.87 2q4n s SER 114 CO 0.92 -0.07 0.25 -0.63 0.98 0.00 0.00 173.24 174.69 2q4n s ILE 115 N -2.59 -0.34 -0.10 -1.02 1.01 -1.07 -1.14 121.20 115.96 2q4n s ILE 115 Ca 0.23 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.64 2q4n s ILE 115 Cb -0.03 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.63 2q4n s ILE 115 CO 0.09 -0.32 -0.22 -0.54 0.00 0.00 0.00 174.94 173.95 2q4n s LYS 116 N 2.33 3.01 -0.00 2.79 1.02 -0.73 0.52 119.74 128.68 2q4n s LYS 116 Ca 0.08 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.26 2q4n s LYS 116 Cb -0.15 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2q4n s LYS 116 CO -0.21 0.23 -0.12 -0.51 -0.92 0.00 0.00 175.35 173.82 2q4n s LEU 117 N 0.23 2.04 0.07 3.17 1.43 0.27 -2.11 118.68 123.77 2q4n s LEU 117 Ca -0.14 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2q4n s LEU 117 Cb -0.17 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2q4n s LEU 117 CO 0.07 0.13 -0.13 -0.54 0.23 0.00 0.00 176.35 176.12 2q4n s LYS 118 N -0.36 0.77 0.20 1.70 1.02 -0.92 0.15 119.74 122.31 2q4n s LYS 118 Ca 0.04 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 2q4n s LYS 118 Cb -0.05 -0.72 -0.08 0.00 -0.52 0.00 0.00 37.83 36.46 2q4n s LYS 118 CO -0.00 0.16 1.17 -1.54 -0.92 0.00 0.00 175.35 174.22 2q4n s SER 119 N -1.75 7.13 -0.02 2.83 1.04 0.13 -1.77 113.70 121.29 2q4n s SER 119 Ca -0.03 2.23 0.10 0.00 0.48 0.00 0.00 55.95 58.73 2q4n s SER 119 Cb -0.10 -2.61 -0.23 0.00 0.10 0.00 0.00 66.02 63.18 2q4n s SER 119 CO 0.02 -0.32 0.75 -0.78 0.98 0.00 0.00 173.24 173.89 2q4n h ASP 120 N 4.95 0.05 -3.78 7.02 3.58 -1.63 -3.46 116.42 123.15 2q4n h ASP 120 Ca -0.45 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 2q4n h ASP 120 Cb 1.21 -0.02 -0.22 0.00 1.72 0.00 0.00 39.33 42.03 2q4n h ASP 120 CO 0.73 1.08 0.16 -0.22 -2.88 0.00 0.00 179.24 178.11 2q4n s LEU 121 N -6.30 -0.73 -0.05 2.28 0.20 -1.20 -4.99 118.68 107.89 2q4n s LEU 121 Ca -0.05 1.38 0.06 0.00 0.69 0.00 0.00 54.13 56.21 2q4n s LEU 121 Cb 0.08 2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 48.22 2q4n s LEU 121 CO 0.82 -0.24 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.73 2q4n s VAL 122 N 0.51 1.87 -0.05 1.68 1.01 -1.26 -0.11 120.40 124.05 2q4n s VAL 122 Ca -0.01 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2q4n s VAL 122 Cb -0.05 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2q4n s VAL 122 CO -0.02 0.53 -0.18 -0.83 0.00 0.00 0.00 175.10 174.59 2q4n s GLY 123 N -0.19 1.45 -0.03 4.51 0.00 -1.17 -4.68 107.32 107.21 2q4n s GLY 123 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2q4n s GLY 123 CO 0.02 -0.74 0.00 -2.01 0.00 0.00 0.00 173.10 170.37 2q4n n ASN 124 N 2.51 -3.03 -4.71 1.64 5.15 -1.26 -2.23 115.26 113.33 2q4n n ASN 124 Ca -0.17 0.01 -0.37 0.00 -0.60 0.00 0.00 54.58 53.45 2q4n n ASN 124 Cb 0.52 -0.55 -0.08 0.00 -0.53 0.00 0.00 39.78 39.14 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 -2.01 3.59 0.05 5.20 0.00 -1.26 -4.82 121.76 122.51 2q4n s ALA 125 Ca 0.00 -0.55 0.14 0.00 0.00 0.00 0.00 51.96 51.55 2q4n s ALA 125 Cb 0.00 -2.42 0.22 0.00 0.00 0.00 0.00 23.12 20.93 2q4n s ALA 125 CO 0.00 -0.03 1.51 0.66 0.00 0.00 0.00 175.76 177.91 2q4n h SER 126 N 6.94 0.00 0.00 0.00 4.64 -2.01 -3.42 113.55 119.71 2q4n h SER 126 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2q4n h SER 126 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2q4n h SER 126 CO 0.74 0.59 -0.03 0.29 -0.87 0.00 0.00 176.83 177.54 2q4n n LYS 127 N -3.41 0.00 -1.68 4.77 5.02 -1.26 -5.06 118.16 116.55 2q4n n LYS 127 Ca 0.01 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.83 2q4n n LYS 127 Cb 0.70 -0.32 -0.04 0.00 -0.02 0.00 0.00 35.03 35.35 2q4n n LYS 127 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2q4n n VAL 128 N -1.92 0.35 0.00 -0.18 0.31 -1.26 -3.86 118.33 111.77 2q4n n VAL 128 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2q4n n VAL 128 Cb 0.01 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 2q4n n VAL 128 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2q4n n LYS 129 N 5.36 0.00 -4.21 5.55 4.76 0.99 -4.82 118.16 125.78 2q4n n LYS 129 Ca 0.20 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.41 2q4n n LYS 129 Cb 0.30 -0.07 -0.06 0.00 -1.84 0.00 0.00 35.03 33.36 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 0.00 2.58 -0.00 1.97 8.01 -1.26 -4.65 118.70 125.35 2q4n s GLU 130 Ca 0.00 -1.25 0.01 0.00 0.01 0.00 0.00 54.97 53.74 2q4n s GLU 130 Cb 0.00 -2.34 -0.00 0.00 -4.31 0.00 0.00 34.13 27.47 2q4n s GLU 130 CO 0.00 0.38 -0.05 0.42 0.01 0.00 0.00 175.26 176.03 2q4n s ILE 131 N -2.23 0.35 0.04 -1.63 1.01 -1.26 -2.92 121.20 114.56 2q4n s ILE 131 Ca 0.32 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.83 2q4n s ILE 131 Cb -0.07 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 2q4n s ILE 131 CO 0.22 0.08 -0.19 -0.44 0.00 0.00 0.00 174.94 174.61 2q4n s SER 132 N -0.15 3.69 -0.02 3.58 0.01 -1.03 0.20 113.70 119.98 2q4n s SER 132 Ca 0.01 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.86 2q4n s SER 132 Cb -0.02 -0.56 -0.00 0.00 0.21 0.00 0.00 66.02 65.65 2q4n s SER 132 CO -0.00 0.26 -0.14 -0.13 0.41 0.00 0.00 173.24 173.64 2q4n s ARG 133 N -1.39 1.26 -0.04 12.44 0.52 0.41 -2.12 118.95 130.04 2q4n s ARG 133 Ca 0.14 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 2q4n s ARG 133 Cb -0.10 -1.17 0.01 0.00 0.52 0.00 0.00 34.95 34.21 2q4n s ARG 133 CO 0.05 0.24 -0.08 -1.21 0.02 0.00 0.00 175.30 174.31 2q4n s GLU 134 N -0.09 1.08 0.11 3.54 2.02 -0.10 0.94 118.70 126.20 2q4n s GLU 134 Ca 0.01 -0.26 0.10 0.00 0.02 0.00 0.00 54.97 54.85 2q4n s GLU 134 Cb -0.08 -0.99 -0.04 0.00 0.10 0.00 0.00 34.13 33.13 2q4n s GLU 134 CO 0.00 0.02 -0.27 -0.06 0.02 0.00 0.00 175.26 174.98 2q4n s PHE 135 N 0.56 2.32 -0.12 1.61 0.40 0.18 -1.23 117.98 121.70 2q4n s PHE 135 Ca -0.09 -0.39 -0.26 0.00 -0.60 0.00 0.00 56.93 55.59 2q4n s PHE 135 Cb -0.12 -1.29 0.06 0.00 0.51 0.00 0.00 43.02 42.18 2q4n s PHE 135 CO 0.01 0.28 0.62 -2.00 0.70 0.00 0.00 175.22 174.84 2q4n s GLU 136 N -1.83 0.90 -0.60 0.44 2.12 -0.61 -2.59 118.70 116.53 2q4n s GLU 136 Ca 0.13 0.45 -0.16 0.00 0.36 0.00 0.00 54.97 55.75 2q4n s GLU 136 Cb -0.10 0.43 0.14 0.00 0.26 0.00 0.00 34.13 34.86 2q4n s GLU 136 CO 0.05 -0.22 0.57 -1.17 -0.54 0.00 0.00 175.26 173.95 2q4n s LEU 137 N -0.62 6.20 -0.33 2.70 2.96 -0.97 -0.11 118.68 128.51 2q4n s LEU 137 Ca -0.07 -1.91 -0.20 0.00 -0.22 0.00 0.00 54.13 51.73 2q4n s LEU 137 Cb -0.02 -2.22 -0.00 0.00 0.50 0.00 0.00 46.19 44.44 2q4n s LEU 137 CO 0.06 -0.84 0.59 0.68 -1.32 0.00 0.00 176.35 175.52 2q4n s VAL 138 N 1.47 4.95 -1.52 1.68 -7.23 0.66 -4.35 120.40 116.06 2q4n s VAL 138 Ca 0.06 0.62 -0.02 0.00 -1.81 0.00 0.00 61.98 60.83 2q4n s VAL 138 Cb -0.26 -4.01 0.02 0.00 0.56 0.00 0.00 36.38 32.69 2q4n s VAL 138 CO 0.01 -0.21 0.24 -0.67 -0.31 0.00 0.00 175.10 174.16 2q4n n ASP 139 N 5.89 0.05 0.00 4.85 2.03 -1.26 -0.72 116.55 127.39 2q4n n ASP 139 Ca -0.02 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.13 2q4n n ASP 139 Cb 0.49 -2.24 0.00 0.00 -0.72 0.00 0.00 41.12 38.65 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 -2.20 2.98 3.86 0.27 0.00 -1.26 -5.01 105.19 103.83 2q4n n GLY 140 Ca -0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.02 3.91 -0.51 1.61 1.02 0.10 -4.74 119.74 121.12 2q4n s LYS 141 Ca 0.00 0.51 -0.18 0.00 0.02 0.00 0.00 55.97 56.33 2q4n s LYS 141 Cb 0.00 -2.50 0.08 0.00 -0.52 0.00 0.00 37.83 34.89 2q4n s LYS 141 CO 0.00 0.19 0.56 -1.17 -0.92 0.00 0.00 175.35 174.00 2q4n s LEU 142 N -3.04 5.34 0.09 3.17 2.96 -0.97 -0.24 118.68 125.99 2q4n s LEU 142 Ca 0.52 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 2q4n s LEU 142 Cb -0.10 -2.32 -0.07 0.00 0.50 0.00 0.00 46.19 44.19 2q4n s LEU 142 CO 0.20 -0.85 0.58 -0.44 -1.32 0.00 0.00 176.35 174.52 2q4n s SER 143 N 2.89 7.05 -0.09 3.68 0.01 0.84 -1.50 113.70 126.57 2q4n s SER 143 Ca 0.10 1.26 -0.04 0.00 1.31 0.00 0.00 55.95 58.58 2q4n s SER 143 Cb -0.22 -2.36 0.05 0.00 0.21 0.00 0.00 66.02 63.70 2q4n s SER 143 CO 0.09 0.24 0.20 -0.72 0.41 0.00 0.00 173.24 173.46 2q4n s TYR 144 N -1.18 -0.27 -0.04 2.43 -0.85 -0.50 -1.57 117.35 115.37 2q4n s TYR 144 Ca 0.31 0.70 0.03 0.00 -0.52 0.00 0.00 57.07 57.59 2q4n s TYR 144 Cb -0.19 -0.07 -0.00 0.00 0.38 0.00 0.00 41.96 42.08 2q4n s TYR 144 CO 0.19 -0.25 -0.14 0.08 -1.52 0.00 0.00 175.55 173.92 2q4n s VAL 145 N 1.68 1.15 -0.05 -3.49 1.01 -0.36 -1.21 120.40 119.13 2q4n s VAL 145 Ca -0.05 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2q4n s VAL 145 Cb -0.11 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2q4n s VAL 145 CO -0.07 0.34 -0.05 -0.69 0.00 0.00 0.00 175.10 174.62 2q4n s VAL 146 N 0.11 0.63 0.51 2.92 1.01 0.52 -0.92 120.40 125.19 2q4n s VAL 146 Ca -0.04 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.86 2q4n s VAL 146 Cb -0.10 -0.65 0.05 0.00 0.00 0.00 0.00 36.38 35.68 2q4n s VAL 146 CO 0.01 0.25 0.65 -0.13 0.00 0.00 0.00 175.10 175.89 2q4n s ARG 147 N 0.95 2.47 0.00 2.72 0.52 -0.90 -1.21 118.95 123.50 2q4n s ARG 147 Ca -0.10 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 2q4n s ARG 147 Cb -0.14 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.72 2q4n s ARG 147 CO 0.00 -0.61 0.00 0.45 0.02 0.00 0.00 175.30 175.16 2q4n n SER 149 N -2.02 0.00 -4.04 0.23 2.88 -1.15 -2.45 113.62 107.07 2q4n n SER 149 Ca 0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 2q4n n SER 149 Cb 0.61 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.96 2q4n n SER 149 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2q4n s THR 150 N -2.00 0.43 0.28 2.46 -4.23 0.04 -0.01 115.64 112.62 2q4n s THR 150 Ca 0.00 -1.03 0.24 0.00 -1.18 0.00 0.00 61.69 59.71 2q4n s THR 150 Cb 0.00 -0.52 0.35 0.00 1.34 0.00 0.00 72.50 73.67 2q4n s THR 150 CO 0.00 -0.41 0.90 0.41 -0.54 0.00 0.00 174.62 174.98 2q4n n THR 151 N 1.50 -0.08 0.03 3.99 -1.04 -1.25 -1.46 114.28 115.98 2q4n n THR 151 Ca -0.23 0.95 0.03 0.00 -2.04 0.00 0.00 64.05 62.76 2q4n n THR 151 Cb 0.55 -1.57 -0.04 0.00 -1.82 0.00 0.00 70.33 67.45 2q4n n THR 151 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2q4n n THR 152 N -3.48 0.00 -3.82 12.58 -2.24 -1.26 -4.92 114.28 111.14 2q4n n THR 152 Ca 0.24 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 2q4n n THR 152 Cb 1.02 0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 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 -2.46 5.23 0.76 3.42 -0.87 -0.53 -5.09 114.94 115.40 2q4n s ASN 153 Ca -0.01 -0.15 -0.11 0.00 -1.57 0.00 0.00 52.86 51.01 2q4n s ASN 153 Cb 0.04 -1.93 0.05 0.00 -0.02 0.00 0.00 41.25 39.38 2q4n s ASN 153 CO 0.23 0.00 1.08 -2.84 -2.57 0.00 0.00 177.10 173.00 2q4n s PRO 154 N 1.39 2.34 -0.18 -0.60 0.02 -1.26 -0.78 135.00 135.93 2q4n s PRO 154 Ca 0.05 0.99 -0.37 0.00 0.02 0.00 0.00 61.00 61.69 2q4n s PRO 154 Cb -0.15 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.32 2q4n s PRO 154 CO 0.04 -1.53 1.84 -0.11 -0.33 0.00 0.00 177.00 176.91 2q4n n LEU 155 N -3.42 2.99 -3.92 -5.54 7.94 -1.26 -4.56 117.00 109.23 2q4n n LEU 155 Ca 0.08 0.99 -0.08 0.00 -1.11 0.00 0.00 56.01 55.89 2q4n n LEU 155 Cb 0.54 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 43.19 2q4n n LEU 155 CO 0.55 -0.22 0.35 0.00 -1.11 0.00 0.00 177.39 176.95 2q4n s GLN 156 N 3.97 1.75 0.30 1.96 -2.07 -1.26 -4.99 119.66 119.32 2q4n s GLN 156 Ca 0.96 -1.17 -0.28 0.00 -1.82 0.00 0.00 55.36 53.04 2q4n s GLN 156 Cb -0.85 0.55 -0.13 0.00 -1.09 0.00 0.00 33.01 31.49 2q4n s GLN 156 CO 0.57 -0.77 1.17 -2.30 -1.32 0.00 0.00 175.29 172.64 2q4n n PRO 157 N -0.44 1.74 0.06 9.60 -0.02 -1.26 -4.40 135.00 140.27 2q4n n PRO 157 Ca -0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2q4n n PRO 157 Cb 0.60 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.45 -0.91 -4.39 6.00 -0.00 -0.35 -4.54 115.22 111.47 2q4n n HIS 158 Ca 0.08 0.16 -0.25 0.00 0.46 0.00 0.00 57.72 58.17 2q4n n HIS 158 Cb 0.33 0.32 -0.12 0.00 -0.12 0.00 0.00 29.99 30.41 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 -6.20 2.42 -0.06 0.27 1.43 -0.96 -0.24 118.68 115.34 2q4n s LEU 159 Ca 0.00 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 51.97 2q4n s LEU 159 Cb 0.00 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.22 2q4n s LEU 159 CO 0.00 0.08 0.62 -1.59 0.23 0.00 0.00 176.35 175.69 2q4n s LYS 160 N -2.64 0.98 0.15 1.70 -2.85 -0.74 -0.35 119.74 116.00 2q4n s LYS 160 Ca 0.18 0.23 -0.24 0.00 -1.00 0.00 0.00 55.97 55.14 2q4n s LYS 160 Cb -0.07 0.46 0.06 0.00 -2.06 0.00 0.00 37.83 36.22 2q4n s LYS 160 CO 0.08 -0.29 0.74 0.00 0.10 0.00 0.00 175.35 175.99 2q4n s ALA 161 N -1.11 -1.56 -0.03 0.59 0.00 -0.35 -0.91 121.76 118.39 2q4n s ALA 161 Ca -0.11 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.22 2q4n s ALA 161 Cb -0.01 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2q4n s ALA 161 CO 0.09 -0.86 -0.08 0.42 0.00 0.00 0.00 175.76 175.32 2q4n s ILE 162 N -3.59 0.78 0.01 0.00 1.01 -1.23 -1.42 121.20 116.76 2q4n s ILE 162 Ca 0.06 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.42 2q4n s ILE 162 Cb -0.02 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 2q4n s ILE 162 CO -0.05 0.25 -0.11 -0.76 0.00 0.00 0.00 174.94 174.27 2q4n s LEU 163 N 0.40 2.07 0.04 2.97 1.02 -0.56 -3.40 118.68 121.22 2q4n s LEU 163 Ca -0.06 -0.28 -0.19 0.00 0.02 0.00 0.00 54.13 53.61 2q4n s LEU 163 Cb -0.11 -0.55 -0.06 0.00 0.02 0.00 0.00 46.19 45.49 2q4n s LEU 163 CO 0.01 0.09 0.56 -1.81 0.02 0.00 0.00 176.35 175.21 2q4n s ASP 164 N -0.55 7.01 -0.16 2.29 1.01 0.53 -2.30 116.67 124.49 2q4n s ASP 164 Ca 0.03 1.19 -0.29 0.00 0.71 0.00 0.00 52.55 54.19 2q4n s ASP 164 Cb -0.05 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 2q4n s ASP 164 CO 0.00 0.23 1.27 -0.75 0.21 0.00 0.00 175.17 176.14 2q4n s LYS 165 N -0.84 4.23 0.00 8.23 2.20 -1.26 -0.83 119.74 131.47 2q4n s LYS 165 Ca 0.29 1.67 0.23 0.00 -0.36 0.00 0.00 55.97 57.80 2q4n s LYS 165 Cb -0.19 -3.77 1.37 0.00 -1.51 0.00 0.00 37.83 33.73 2q4n s LYS 165 CO 0.18 -0.72 1.74 1.28 -0.36 0.00 0.00 175.35 177.47