#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4s n THR 11 N 0.00 0.00 0.12 0.00 5.66 -1.26 -4.06 114.28 114.74 1q4s n THR 11 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1q4s n THR 11 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 1q4s n THR 11 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1q4s h GLY 12 N 0.00 0.61 -0.64 1.09 0.00 -2.00 -3.26 103.07 98.87 1q4s h GLY 12 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 47.33 45.93 1q4s h GLY 12 CO 0.00 1.23 -0.21 0.61 0.00 0.00 0.00 176.54 178.17 1q4s n GLY 13 N 1.51 -0.13 2.08 4.60 0.00 -1.26 -4.96 105.19 107.04 1q4s n GLY 13 Ca -0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 1q4s n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q4s n ASN 14 N -0.04 -2.72 -4.73 1.61 5.15 -1.23 0.37 115.26 113.66 1q4s n ASN 14 Ca 0.05 0.05 -0.34 0.00 -0.60 0.00 0.00 54.58 53.74 1q4s n ASN 14 Cb 0.27 -1.21 0.08 0.00 -0.53 0.00 0.00 39.78 38.39 1q4s n ASN 14 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1q4s s LEU 15 N -0.85 3.38 0.12 1.20 1.02 -1.26 -4.68 118.68 117.61 1q4s s LEU 15 Ca 0.00 2.32 -0.33 0.00 0.02 0.00 0.00 54.13 56.14 1q4s s LEU 15 Cb 0.00 -4.59 -0.13 0.00 0.02 0.00 0.00 46.19 41.50 1q4s s LEU 15 CO 0.00 -2.07 1.69 -0.81 0.02 0.00 0.00 176.35 175.17 1q4s n PRO 16 N -2.49 2.33 -2.97 1.29 -0.04 -1.26 -4.17 135.00 127.68 1q4s n PRO 16 Ca 0.13 0.84 -0.44 0.00 -0.04 0.00 0.00 63.50 63.99 1q4s n PRO 16 Cb 0.50 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.28 1q4s n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1q4s s ASP 17 N 1.74 6.47 0.00 3.54 -1.08 -1.26 -4.31 116.67 121.78 1q4s s ASP 17 Ca 0.81 -1.78 0.13 0.00 -0.52 0.00 0.00 52.55 51.19 1q4s s ASP 17 Cb -0.63 -2.37 -0.11 0.00 -1.46 0.00 0.00 42.92 38.35 1q4s s ASP 17 CO 0.39 -1.11 0.58 1.33 0.52 0.00 0.00 175.17 176.88 1q4s n VAL 18 N 5.47 0.00 -4.22 1.11 0.24 -1.26 -4.95 118.33 114.72 1q4s n VAL 18 Ca 0.12 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1q4s n VAL 18 Cb 0.47 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.77 1q4s n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q4s s ALA 19 N -2.08 1.25 0.03 2.33 0.00 -1.26 -4.90 121.76 117.13 1q4s s ALA 19 Ca 0.06 -1.56 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1q4s s ALA 19 Cb 0.10 0.57 -0.18 0.00 0.00 0.00 0.00 23.12 23.60 1q4s s ALA 19 CO 0.48 -0.34 1.22 0.66 0.00 0.00 0.00 175.76 177.78 1q4s h SER 20 N 2.74 0.54 -4.23 0.00 4.64 -2.01 -3.43 113.55 111.80 1q4s h SER 20 Ca -0.36 -0.64 -0.28 0.00 -0.47 0.00 0.00 61.79 60.04 1q4s h SER 20 Cb 1.20 -0.16 -0.15 0.00 -0.31 0.00 0.00 62.40 62.98 1q4s h SER 20 CO 0.62 1.09 -0.71 -1.38 -0.87 0.00 0.00 176.83 175.59 1q4s s HIS 21 N -3.69 1.12 -0.00 4.77 -3.43 -1.26 -4.98 115.29 107.81 1q4s s HIS 21 Ca -0.13 -0.83 0.02 0.00 -0.80 0.00 0.00 55.06 53.32 1q4s s HIS 21 Cb 0.05 -0.59 -0.00 0.00 -1.43 0.00 0.00 32.58 30.60 1q4s s HIS 21 CO 0.81 -0.02 -0.05 0.71 -2.00 0.00 0.00 174.74 174.19 1q4s s TYR 22 N -3.45 0.48 0.40 0.38 1.51 -1.26 -5.06 117.35 110.35 1q4s s TYR 22 Ca 0.15 -0.11 0.16 0.00 -1.01 0.00 0.00 57.07 56.26 1q4s s TYR 22 Cb 0.04 -0.31 1.03 0.00 -0.11 0.00 0.00 41.96 42.60 1q4s s TYR 22 CO -0.01 -0.01 1.83 -1.35 -1.11 0.00 0.00 175.55 174.89 1q4s h PRO 23 N 5.95 0.46 -4.26 -1.71 0.11 -2.04 -3.40 132.00 127.11 1q4s h PRO 23 Ca -0.28 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.39 1q4s h PRO 23 Cb 1.19 -0.10 -0.32 0.00 0.11 0.00 0.00 31.00 31.88 1q4s h PRO 23 CO 0.50 0.30 -0.78 0.08 -0.21 0.00 0.00 178.00 177.89 1q4s s VAL 24 N -5.51 0.63 0.39 3.15 1.01 -1.26 -5.13 120.40 113.68 1q4s s VAL 24 Ca -0.09 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 1q4s s VAL 24 Cb 0.23 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 1q4s s VAL 24 CO 0.79 0.22 1.02 0.00 0.00 0.00 0.00 175.10 177.13 1q4s s ALA 25 N 0.55 3.10 0.18 5.51 0.00 -1.26 -4.87 121.76 124.96 1q4s s ALA 25 Ca -0.08 0.63 -0.24 0.00 0.00 0.00 0.00 51.96 52.28 1q4s s ALA 25 Cb -0.11 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.84 1q4s s ALA 25 CO 0.00 -0.10 1.57 -0.92 0.00 0.00 0.00 175.76 176.31 1q4s h TYR 26 N 2.56 -1.19 0.00 0.00 3.20 -1.97 0.14 116.97 119.71 1q4s h TYR 26 Ca -0.48 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.47 1q4s h TYR 26 Cb 1.21 0.61 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 1q4s h TYR 26 CO 0.59 -0.41 -0.01 1.49 -1.64 0.00 0.00 178.16 178.18 1q4s h GLU 27 N -0.19 0.00 0.00 1.82 4.57 -1.93 -1.80 114.58 117.05 1q4s h GLU 27 Ca 0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1q4s h GLU 27 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1q4s h GLU 27 CO -0.72 0.01 -1.04 1.04 -1.18 0.00 0.00 179.01 177.12 1q4s n GLN 28 N -3.17 0.29 -1.86 1.92 3.00 0.41 -3.74 117.38 114.23 1q4s n GLN 28 Ca -0.02 -0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.67 1q4s n GLN 28 Cb 0.11 -1.59 0.12 0.00 0.00 0.00 0.00 30.24 28.88 1q4s n GLN 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1q4s s THR 29 N -3.20 1.99 0.19 5.09 -4.23 -0.67 -4.79 115.64 110.02 1q4s s THR 29 Ca 0.04 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.42 1q4s s THR 29 Cb 0.14 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 71.11 1q4s s THR 29 CO 0.80 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.97 1q4s h LEU 30 N -1.26 0.62 -0.36 4.79 5.85 -1.92 0.30 115.31 123.33 1q4s h LEU 30 Ca -0.46 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1q4s h LEU 30 Cb 1.31 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1q4s h LEU 30 CO 0.58 0.43 0.14 0.44 -0.34 0.00 0.00 178.44 179.70 1q4s h ASP 31 N 0.74 0.16 -0.57 1.25 3.32 -1.92 0.09 116.42 119.50 1q4s h ASP 31 Ca 0.23 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1q4s h ASP 31 Cb -0.01 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1q4s h ASP 31 CO -0.09 0.13 0.04 1.23 -1.72 0.00 0.00 179.24 178.84 1q4s h GLY 32 N 0.30 1.05 0.70 2.75 0.00 -1.06 0.28 103.07 107.09 1q4s h GLY 32 Ca 0.16 -0.74 0.04 0.00 0.00 0.00 0.00 47.33 46.79 1q4s h GLY 32 CO -0.15 0.68 0.10 -0.84 0.00 0.00 0.00 176.54 176.33 1q4s h THR 33 N 0.86 0.89 0.00 4.70 2.02 0.04 -2.47 112.91 118.96 1q4s h THR 33 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1q4s h THR 33 Cb 0.49 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1q4s h THR 33 CO 0.02 0.04 -0.38 1.33 0.37 0.00 0.00 175.52 176.90 1q4s n VAL 34 N -5.04 0.27 -1.11 3.16 0.24 -0.02 -4.97 118.33 110.86 1q4s n VAL 34 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1q4s n VAL 34 Cb 0.12 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 1q4s n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q4s n GLY 35 N 1.39 1.09 3.75 7.63 0.00 0.75 -4.82 105.19 114.99 1q4s n GLY 35 Ca 0.05 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 1q4s n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q4s s PHE 36 N -2.24 3.69 -0.06 1.61 0.08 0.17 -4.54 117.98 116.69 1q4s s PHE 36 Ca 0.00 1.74 0.00 0.00 0.12 0.00 0.00 56.93 58.79 1q4s s PHE 36 Cb 0.00 -3.20 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 1q4s s PHE 36 CO 0.00 -0.29 -0.04 0.08 -0.10 0.00 0.00 175.22 174.87 1q4s s VAL 37 N -0.97 0.62 0.11 -0.44 1.01 -0.48 -4.67 120.40 115.57 1q4s s VAL 37 Ca 0.45 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1q4s s VAL 37 Cb -0.30 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1q4s s VAL 37 CO 0.37 0.27 1.05 -0.63 0.00 0.00 0.00 175.10 176.16 1q4s s ILE 38 N 1.31 4.28 0.00 2.22 1.01 0.16 -1.73 121.20 128.45 1q4s s ILE 38 Ca -0.04 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.43 1q4s s ILE 38 Cb -0.14 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1q4s s ILE 38 CO -0.02 0.25 0.00 -0.67 0.00 0.00 0.00 174.94 174.50 1q4s n ASP 39 N 2.99 0.00 -4.90 3.58 -0.08 0.20 -4.73 116.55 113.61 1q4s n ASP 39 Ca 0.04 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 53.01 1q4s n ASP 39 Cb 0.48 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.90 1q4s n ASP 39 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1q4s s GLU 40 N 0.00 3.66 -0.25 -0.67 2.02 -1.21 -4.90 118.70 117.34 1q4s s GLU 40 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.95 1q4s s GLU 40 Cb 0.00 -2.76 0.14 0.00 0.10 0.00 0.00 34.13 31.61 1q4s s GLU 40 CO 0.00 0.38 0.43 1.41 0.02 0.00 0.00 175.26 177.50 1q4s s MET 41 N -2.93 0.39 0.31 1.61 -2.45 -1.26 -0.46 119.30 114.51 1q4s s MET 41 Ca 0.43 0.69 0.03 0.00 -1.25 0.00 0.00 55.69 55.59 1q4s s MET 41 Cb -0.11 -0.18 -0.06 0.00 1.25 0.00 0.00 34.83 35.73 1q4s s MET 41 CO 0.25 -0.59 0.07 0.95 1.05 0.00 0.00 175.02 176.75 1q4s s THR 42 N 2.62 0.98 0.44 10.11 -4.23 0.21 -4.99 115.64 120.79 1q4s s THR 42 Ca 0.13 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.87 1q4s s THR 42 Cb -0.15 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.21 1q4s s THR 42 CO -0.17 0.00 2.06 -0.65 -0.54 0.00 0.00 174.62 175.33 1q4s h PRO 43 N 2.18 0.00 -0.01 3.99 0.11 -2.00 -2.72 132.00 133.55 1q4s h PRO 43 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1q4s h PRO 43 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1q4s h PRO 43 CO 0.67 0.13 -0.11 0.39 -0.21 0.00 0.00 178.00 178.86 1q4s n GLU 44 N -3.89 1.74 -3.60 1.05 1.02 -1.26 -4.84 120.64 110.86 1q4s n GLU 44 Ca -0.02 -0.61 -0.15 0.00 -0.02 0.00 0.00 57.16 56.36 1q4s n GLU 44 Cb 0.23 -1.03 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 1q4s n GLU 44 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1q4s s ARG 45 N -0.99 0.88 0.03 3.49 3.52 -1.03 -0.74 118.95 124.11 1q4s s ARG 45 Ca 0.07 0.74 -0.14 0.00 -0.13 0.00 0.00 55.73 56.27 1q4s s ARG 45 Cb 0.06 0.43 0.02 0.00 -1.56 0.00 0.00 34.95 33.90 1q4s s ARG 45 CO 0.16 -0.17 0.30 0.00 -0.81 0.00 0.00 175.30 174.78 1q4s s ALA 46 N -0.13 -0.71 0.10 6.12 0.00 -0.09 0.66 121.76 127.71 1q4s s ALA 46 Ca -0.03 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1q4s s ALA 46 Cb -0.03 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1q4s s ALA 46 CO 0.03 -0.36 -0.10 0.95 0.00 0.00 0.00 175.76 176.28 1q4s s THR 47 N -2.17 0.95 0.13 0.00 -4.23 0.39 -0.00 115.64 110.71 1q4s s THR 47 Ca -0.08 -1.69 -0.24 0.00 -1.18 0.00 0.00 61.69 58.50 1q4s s THR 47 Cb -0.02 -1.42 0.08 0.00 1.34 0.00 0.00 72.50 72.47 1q4s s THR 47 CO -0.01 -0.59 0.67 0.00 -0.54 0.00 0.00 174.62 174.15 1q4s s ALA 48 N -2.58 -1.64 0.27 3.99 0.00 -0.78 0.58 121.76 121.61 1q4s s ALA 48 Ca 0.07 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1q4s s ALA 48 Cb -0.02 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1q4s s ALA 48 CO -0.00 -0.76 0.51 -1.54 0.00 0.00 0.00 175.76 173.97 1q4s s SER 49 N -2.70 0.02 -0.16 0.00 1.04 -0.70 0.52 113.70 111.72 1q4s s SER 49 Ca 0.02 -0.99 -0.23 0.00 0.48 0.00 0.00 55.95 55.23 1q4s s SER 49 Cb -0.01 0.62 0.06 0.00 0.10 0.00 0.00 66.02 66.79 1q4s s SER 49 CO -0.12 -1.21 0.60 0.54 0.98 0.00 0.00 173.24 174.04 1q4s s VAL 50 N -3.79 0.01 -0.10 5.02 0.11 -0.55 -1.38 120.40 119.72 1q4s s VAL 50 Ca 0.22 -0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 59.02 1q4s s VAL 50 Cb -0.01 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1q4s s VAL 50 CO 0.10 -0.03 0.59 -0.70 -3.33 0.00 0.00 175.10 171.74 1q4s s GLU 51 N -0.25 4.38 0.10 1.54 2.12 -1.26 -1.53 118.70 123.80 1q4s s GLU 51 Ca -0.04 0.66 -0.31 0.00 0.36 0.00 0.00 54.97 55.64 1q4s s GLU 51 Cb -0.03 -3.45 -0.07 0.00 0.26 0.00 0.00 34.13 30.83 1q4s s GLU 51 CO 0.04 0.09 1.33 0.08 -0.54 0.00 0.00 175.26 176.25 1q4s s VAL 52 N 0.80 3.52 0.32 3.70 1.01 0.75 -4.95 120.40 125.54 1q4s s VAL 52 Ca 0.31 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.44 1q4s s VAL 52 Cb -0.16 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1q4s s VAL 52 CO 0.14 0.09 0.30 0.42 0.00 0.00 0.00 175.10 176.04 1q4s s THR 53 N 1.07 0.00 0.40 3.92 -4.23 -1.26 -4.61 115.64 110.92 1q4s s THR 53 Ca 0.63 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 1q4s s THR 53 Cb -0.35 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.26 1q4s s THR 53 CO 0.30 0.00 2.00 0.44 -0.54 0.00 0.00 174.62 176.82 1q4s h ASP 54 N 2.18 0.52 -0.37 3.99 3.32 -1.94 -1.78 116.42 122.33 1q4s h ASP 54 Ca -0.26 -0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.89 1q4s h ASP 54 Cb 1.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1q4s h ASP 54 CO 0.38 0.35 0.33 0.74 -1.72 0.00 0.00 179.24 179.32 1q4s h THR 55 N 0.60 0.57 0.00 0.35 2.02 -1.97 0.10 112.91 114.58 1q4s h THR 55 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1q4s h THR 55 Cb 0.20 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1q4s h THR 55 CO -0.07 0.00 -0.71 -0.11 0.37 0.00 0.00 175.52 175.00 1q4s n LEU 56 N -4.04 0.63 -5.00 2.58 7.94 -0.68 -4.97 117.00 113.48 1q4s n LEU 56 Ca 0.06 -0.09 -0.18 0.00 -1.11 0.00 0.00 56.01 54.69 1q4s n LEU 56 Cb 0.50 -0.16 0.01 0.00 0.53 0.00 0.00 43.42 44.30 1q4s n LEU 56 CO 0.31 0.12 0.16 -0.13 -1.11 0.00 0.00 177.39 176.75 1q4s s ARG 57 N -3.05 2.70 0.57 1.96 0.52 0.35 -1.21 118.95 120.79 1q4s s ARG 57 Ca 0.09 -1.35 0.09 0.00 -0.52 0.00 0.00 55.73 54.03 1q4s s ARG 57 Cb 0.16 -2.68 0.08 0.00 0.52 0.00 0.00 34.95 33.03 1q4s s ARG 57 CO 0.76 -0.36 0.74 1.14 0.02 0.00 0.00 175.30 177.60 1q4s s GLN 58 N -4.37 2.30 0.59 3.54 1.03 -0.31 -4.66 119.66 117.77 1q4s s GLN 58 Ca 0.55 -1.70 0.33 0.00 0.04 0.00 0.00 55.36 54.58 1q4s s GLN 58 Cb -0.08 -2.57 1.85 0.00 0.03 0.00 0.00 33.01 32.23 1q4s s GLN 58 CO 0.33 -0.83 2.23 0.07 -2.54 0.00 0.00 175.29 174.54 1q4s h ARG 59 N 0.25 0.00 -0.07 9.60 0.11 -1.96 -2.44 114.38 119.87 1q4s h ARG 59 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 1q4s h ARG 59 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 1q4s h ARG 59 CO 0.43 0.03 0.00 0.91 0.10 0.00 0.00 179.97 181.44 1q4s n TRP 60 N -3.59 0.10 -0.21 4.08 7.02 -1.26 -4.91 117.44 118.67 1q4s n TRP 60 Ca -0.03 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1q4s n TRP 60 Cb 0.13 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.02 1q4s n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q4s n GLY 61 N 0.87 1.01 3.88 6.99 0.00 -0.92 -5.06 105.19 111.95 1q4s n GLY 61 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1q4s n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q4s s LEU 62 N 0.00 4.03 0.14 0.99 1.43 -1.26 -4.71 118.68 119.31 1q4s s LEU 62 Ca 0.00 -0.07 -0.32 0.00 -1.03 0.00 0.00 54.13 52.71 1q4s s LEU 62 Cb 0.00 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.52 1q4s s LEU 62 CO 0.00 -0.01 1.78 0.52 0.23 0.00 0.00 176.35 178.87 1q4s n VAL 63 N -0.99 0.24 -1.76 -1.59 0.31 0.16 -1.17 118.33 113.53 1q4s n VAL 63 Ca -0.08 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 1q4s n VAL 63 Cb 0.56 -2.01 -0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1q4s n VAL 63 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1q4s n HIS 64 N 5.00 2.92 -0.25 3.52 -0.00 -0.35 -4.78 115.22 121.29 1q4s n HIS 64 Ca 0.18 0.35 0.02 0.00 0.46 0.00 0.00 57.72 58.73 1q4s n HIS 64 Cb 0.35 -2.56 0.15 0.00 -0.12 0.00 0.00 29.99 27.81 1q4s n HIS 64 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1q4s h GLY 65 N 3.83 1.12 2.00 1.57 0.00 -1.90 0.41 103.07 110.10 1q4s h GLY 65 Ca -0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1q4s h GLY 65 CO 0.71 0.04 -0.01 -1.33 0.00 0.00 0.00 176.54 175.95 1q4s h GLY 66 N 0.60 0.00 0.89 4.60 0.00 -1.96 -2.21 103.07 104.99 1q4s h GLY 66 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1q4s h GLY 66 CO -0.29 0.00 0.08 0.00 0.00 0.00 0.00 176.54 176.33 1q4s h ALA 67 N 1.99 0.37 -0.38 3.60 0.00 -0.48 -0.53 119.26 123.83 1q4s h ALA 67 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1q4s h ALA 67 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q4s h ALA 67 CO 0.00 0.01 0.11 1.88 0.00 0.00 0.00 179.25 181.25 1q4s h TYR 68 N 0.29 0.61 -0.59 0.00 -1.99 -1.38 -1.73 116.97 112.19 1q4s h TYR 68 Ca 0.09 -0.07 0.08 0.00 2.00 0.00 0.00 58.73 60.84 1q4s h TYR 68 Cb 0.26 -0.18 -0.07 0.00 2.00 0.00 0.00 36.73 38.75 1q4s h TYR 68 CO 0.01 0.59 0.24 0.00 -0.00 0.00 0.00 178.16 179.00 1q4s h ALA 70 N 1.38 0.94 -0.22 0.00 0.00 -0.87 0.17 119.26 120.66 1q4s h ALA 70 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1q4s h ALA 70 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1q4s h ALA 70 CO -0.27 0.65 0.05 1.25 0.00 0.00 0.00 179.25 180.93 1q4s h LEU 71 N 0.94 0.34 -0.60 0.00 5.85 -1.02 -0.09 115.31 120.72 1q4s h LEU 71 Ca 0.18 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1q4s h LEU 71 Cb 0.49 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1q4s h LEU 71 CO 0.02 0.49 0.33 0.00 -0.34 0.00 0.00 178.44 178.94 1q4s h ALA 72 N 0.87 0.77 0.47 1.25 0.00 -1.26 -0.95 119.26 120.42 1q4s h ALA 72 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1q4s h ALA 72 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1q4s h ALA 72 CO 0.00 0.29 -0.32 1.49 0.00 0.00 0.00 179.25 180.71 1q4s h GLU 73 N 0.82 -0.74 -0.23 0.00 4.57 -0.31 -1.72 114.58 116.96 1q4s h GLU 73 Ca 0.21 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1q4s h GLU 73 Cb 0.05 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1q4s h GLU 73 CO -0.03 -0.50 0.09 1.98 -1.18 0.00 0.00 179.01 179.37 1q4s h MET 74 N -0.77 0.20 0.09 1.92 4.05 -0.92 -1.71 114.93 117.79 1q4s h MET 74 Ca -0.05 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1q4s h MET 74 Cb 0.64 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1q4s h MET 74 CO 0.03 0.13 -0.22 1.25 0.23 0.00 0.00 176.91 178.33 1q4s h LEU 75 N 0.20 -0.62 -0.71 3.39 5.85 -1.09 0.61 115.31 122.95 1q4s h LEU 75 Ca 0.10 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1q4s h LEU 75 Cb 0.06 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1q4s h LEU 75 CO -0.10 -0.30 0.28 0.00 -0.34 0.00 0.00 178.44 177.98 1q4s h ALA 76 N 0.41 0.93 -0.03 1.25 0.00 -1.30 0.86 119.26 121.37 1q4s h ALA 76 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1q4s h ALA 76 Cb 0.43 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1q4s h ALA 76 CO -0.14 0.56 -0.02 1.15 0.00 0.00 0.00 179.25 180.81 1q4s h THR 77 N 1.03 1.33 -0.41 0.00 2.02 -1.03 -2.38 112.91 113.46 1q4s h THR 77 Ca 0.24 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 1q4s h THR 77 Cb 0.22 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1q4s h THR 77 CO -0.02 0.27 -0.01 -0.33 0.37 0.00 0.00 175.52 175.80 1q4s h GLU 78 N -0.33 0.66 -0.33 6.66 4.39 0.31 -0.18 114.58 125.76 1q4s h GLU 78 Ca 0.01 -0.16 0.03 0.00 0.34 0.00 0.00 59.36 59.57 1q4s h GLU 78 Cb 0.44 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1q4s h GLU 78 CO 0.00 0.68 0.22 0.00 -1.16 0.00 0.00 179.01 178.76 1q4s h ALA 79 N 1.37 1.89 0.04 3.43 0.00 -0.74 0.12 119.26 125.37 1q4s h ALA 79 Ca 0.13 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1q4s h ALA 79 Cb 0.40 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1q4s h ALA 79 CO 0.02 0.07 -0.58 1.15 0.00 0.00 0.00 179.25 179.90 1q4s h THR 80 N 0.34 1.48 -0.56 0.00 2.02 -0.84 -3.25 112.91 112.10 1q4s h THR 80 Ca 0.13 -2.19 0.10 0.00 0.77 0.00 0.00 66.41 65.22 1q4s h THR 80 Cb 0.12 2.81 -0.08 0.00 -1.74 0.00 0.00 68.15 69.26 1q4s h THR 80 CO -0.03 0.62 0.12 0.58 0.37 0.00 0.00 175.52 177.19 1q4s h VAL 81 N -0.27 0.68 -1.09 3.16 2.07 -0.40 0.33 116.25 120.74 1q4s h VAL 81 Ca -0.08 -0.09 0.30 0.00 0.82 0.00 0.00 66.70 67.65 1q4s h VAL 81 Cb 1.34 0.40 -0.11 0.00 -1.52 0.00 0.00 31.29 31.41 1q4s h VAL 81 CO 0.11 0.05 0.70 0.00 0.02 0.00 0.00 177.57 178.45 1q4s h ALA 82 N 1.44 2.30 0.08 1.67 0.00 -0.82 -1.98 119.26 121.94 1q4s h ALA 82 Ca 0.29 0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.97 1q4s h ALA 82 Cb 0.40 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1q4s h ALA 82 CO -0.36 -0.76 -1.64 0.28 0.00 0.00 0.00 179.25 176.76 1q4s h VAL 83 N 0.34 0.79 0.00 0.00 2.07 -1.07 -3.42 116.25 114.95 1q4s h VAL 83 Ca 0.65 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1q4s h VAL 83 Cb 1.72 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1q4s h VAL 83 CO -0.35 0.65 -0.67 1.33 0.02 0.00 0.00 177.57 178.55 1q4s n VAL 84 N -3.90 0.22 -0.00 2.57 0.24 -0.59 -4.19 118.33 112.67 1q4s n VAL 84 Ca -0.31 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 1q4s n VAL 84 Cb 0.89 0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 33.26 1q4s n VAL 84 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1q4s h HIS 85 N 0.00 -0.08 0.00 6.34 6.17 -1.48 0.34 115.15 126.44 1q4s h HIS 85 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1q4s h HIS 85 Cb 0.67 0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.66 1q4s h HIS 85 CO 0.00 -0.06 0.00 -0.85 0.71 0.00 0.00 177.93 177.73 1q4s n GLU 86 N -5.16 0.10 -0.53 5.26 0.28 -1.26 -0.12 120.64 119.21 1q4s n GLU 86 Ca -0.04 0.51 0.10 0.00 -0.16 0.00 0.00 57.16 57.56 1q4s n GLU 86 Cb 0.09 -1.77 0.34 0.00 1.43 0.00 0.00 31.44 31.52 1q4s n GLU 86 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q4s n LYS 87 N -1.98 3.35 -1.09 3.44 5.02 0.11 -4.90 118.16 122.11 1q4s n LYS 87 Ca 0.00 -2.68 -0.03 0.00 -2.02 0.00 0.00 58.31 53.58 1q4s n LYS 87 Cb 0.09 -1.79 -0.01 0.00 -0.02 0.00 0.00 35.03 33.30 1q4s n LYS 87 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q4s n GLY 88 N 1.26 0.63 3.75 0.72 0.00 0.83 -5.03 105.19 107.34 1q4s n GLY 88 Ca 0.24 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1q4s n GLY 88 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q4s s MET 89 N -2.08 2.35 0.17 1.61 -1.94 -0.36 -1.97 119.30 117.09 1q4s s MET 89 Ca 0.00 -1.62 0.10 0.00 -1.71 0.00 0.00 55.69 52.46 1q4s s MET 89 Cb 0.00 -2.14 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 1q4s s MET 89 CO 0.00 0.02 -0.23 0.00 -0.01 0.00 0.00 175.02 174.80 1q4s s MET 90 N -3.89 1.41 -0.03 2.03 0.23 1.36 -3.91 119.30 116.50 1q4s s MET 90 Ca 0.40 -1.44 0.01 0.00 -1.03 0.00 0.00 55.69 53.62 1q4s s MET 90 Cb -0.01 -1.70 0.02 0.00 -1.53 0.00 0.00 34.83 31.61 1q4s s MET 90 CO 0.23 0.37 -0.02 0.00 -2.03 0.00 0.00 175.02 173.57 1q4s s ALA 91 N -1.61 0.41 0.03 3.16 0.00 -1.26 0.54 121.76 123.04 1q4s s ALA 91 Ca 0.17 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.20 1q4s s ALA 91 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1q4s s ALA 91 CO 0.08 -0.02 -0.05 0.14 0.00 0.00 0.00 175.76 175.90 1q4s s VAL 92 N 0.79 0.31 0.37 0.00 -7.23 -0.98 -4.92 120.40 108.75 1q4s s VAL 92 Ca -0.09 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.88 1q4s s VAL 92 Cb -0.12 -0.41 -0.11 0.00 0.56 0.00 0.00 36.38 36.30 1q4s s VAL 92 CO -0.01 -0.40 1.50 -0.83 -0.31 0.00 0.00 175.10 175.05 1q4s s GLY 93 N -1.39 2.89 -0.08 2.32 0.00 -1.26 -0.93 107.32 108.87 1q4s s GLY 93 Ca -0.12 1.58 0.02 0.00 0.00 0.00 0.00 44.72 46.20 1q4s s GLY 93 CO -0.00 2.29 -0.05 -0.18 0.00 0.00 0.00 173.10 175.16 1q4s n GLN 94 N 0.55 0.86 -3.74 2.90 7.27 0.66 -4.73 117.38 121.15 1q4s n GLN 94 Ca 0.01 0.04 -0.12 0.00 0.07 0.00 0.00 57.00 56.99 1q4s n GLN 94 Cb 0.39 -1.16 -0.11 0.00 2.41 0.00 0.00 30.24 31.77 1q4s n GLN 94 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1q4s s SER 95 N -4.56 -0.36 -0.16 1.69 0.15 -0.75 -4.99 113.70 104.72 1q4s s SER 95 Ca -0.09 0.69 -0.04 0.00 0.70 0.00 0.00 55.95 57.21 1q4s s SER 95 Cb 0.03 0.66 0.05 0.00 -1.71 0.00 0.00 66.02 65.05 1q4s s SER 95 CO 0.21 -0.13 0.06 0.21 1.20 0.00 0.00 173.24 174.78 1q4s s ASN 96 N 0.51 2.41 -0.33 5.45 3.84 -1.26 -0.16 114.94 125.40 1q4s s ASN 96 Ca -0.03 -0.60 0.01 0.00 0.21 0.00 0.00 52.86 52.46 1q4s s ASN 96 Cb -0.04 -0.40 0.09 0.00 -0.55 0.00 0.00 41.25 40.34 1q4s s ASN 96 CO -0.03 -0.31 0.05 -2.28 -2.79 0.00 0.00 177.10 171.74 1q4s s HIS 97 N 2.01 3.55 -0.11 0.43 5.65 -0.79 -4.98 115.29 121.04 1q4s s HIS 97 Ca 0.01 -2.55 -0.01 0.00 0.25 0.00 0.00 55.06 52.77 1q4s s HIS 97 Cb -0.16 -2.68 -0.02 0.00 -1.18 0.00 0.00 32.58 28.54 1q4s s HIS 97 CO -0.08 -0.92 -0.09 0.99 -0.65 0.00 0.00 174.74 174.00 1q4s s THR 98 N 1.06 3.50 -0.08 0.89 2.01 -1.26 0.67 115.64 122.42 1q4s s THR 98 Ca 0.04 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1q4s s THR 98 Cb -0.20 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1q4s s THR 98 CO -0.05 0.54 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.76 1q4s s SER 99 N -0.06 3.30 -0.31 3.53 0.01 0.10 -5.00 113.70 115.27 1q4s s SER 99 Ca -0.00 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 56.68 1q4s s SER 99 Cb -0.14 -1.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 1q4s s SER 99 CO 0.03 0.21 0.17 -0.36 0.41 0.00 0.00 173.24 173.71 1q4s s PHE 100 N 0.04 3.19 -0.22 2.43 0.40 -1.26 -2.13 117.98 120.43 1q4s s PHE 100 Ca -0.09 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 1q4s s PHE 100 Cb -0.15 -2.38 -0.20 0.00 0.51 0.00 0.00 43.02 40.80 1q4s s PHE 100 CO 0.06 -0.41 -0.03 1.19 0.70 0.00 0.00 175.22 176.72 1q4s n PHE 101 N 5.01 0.45 -3.73 0.36 3.72 0.12 -5.00 117.46 118.39 1q4s n PHE 101 Ca -0.14 0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 1q4s n PHE 101 Cb 0.50 -1.06 -0.10 0.00 -0.94 0.00 0.00 39.48 37.87 1q4s n PHE 101 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1q4s s ARG 102 N -2.52 0.44 0.65 -1.08 3.52 -0.48 -5.03 118.95 114.45 1q4s s ARG 102 Ca -0.31 0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 55.76 1q4s s ARG 102 Cb 0.09 0.17 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1q4s s ARG 102 CO 0.64 -0.08 1.04 -1.25 -0.81 0.00 0.00 175.30 174.85 1q4s s PRO 103 N 0.45 3.27 -0.05 5.12 0.04 -1.26 -4.57 135.00 137.99 1q4s s PRO 103 Ca -0.02 0.91 0.05 0.00 0.04 0.00 0.00 61.00 61.98 1q4s s PRO 103 Cb -0.04 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1q4s s PRO 103 CO -0.02 -0.83 -0.21 0.08 0.04 0.00 0.00 177.00 176.06 1q4s s VAL 104 N -3.00 1.73 -0.20 -0.36 1.01 -1.26 -5.01 120.40 113.31 1q4s s VAL 104 Ca 0.58 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1q4s s VAL 104 Cb -0.13 -1.48 -0.17 0.00 0.00 0.00 0.00 36.38 34.60 1q4s s VAL 104 CO 0.51 0.49 -0.10 1.17 0.00 0.00 0.00 175.10 177.17 1q4s n LYS 105 N 3.11 0.80 -3.88 2.72 4.81 -1.26 -0.67 118.16 123.80 1q4s n LYS 105 Ca -0.18 0.07 -0.08 0.00 -0.87 0.00 0.00 58.31 57.25 1q4s n LYS 105 Cb 0.52 -1.44 -0.01 0.00 0.02 0.00 0.00 35.03 34.12 1q4s n LYS 105 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1q4s s GLU 106 N -2.43 1.88 0.00 1.64 -1.05 -1.26 -4.75 118.70 112.72 1q4s s GLU 106 Ca -0.21 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1q4s s GLU 106 Cb 0.07 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.34 1q4s s GLU 106 CO 0.59 -0.85 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1q4s n GLY 107 N -0.47 0.74 3.22 -3.83 0.00 -1.26 -4.84 105.19 98.74 1q4s n GLY 107 Ca -0.05 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1q4s n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q4s s HIS 108 N 0.00 1.15 -0.10 1.61 3.76 -1.26 -0.18 115.29 120.27 1q4s s HIS 108 Ca 0.00 -1.37 0.02 0.00 -0.15 0.00 0.00 55.06 53.56 1q4s s HIS 108 Cb 0.00 -0.54 0.01 0.00 1.11 0.00 0.00 32.58 33.16 1q4s s HIS 108 CO 0.00 -0.66 -0.14 0.08 -0.85 0.00 0.00 174.74 173.17 1q4s s VAL 109 N -4.13 1.39 -0.14 -0.90 1.01 -0.58 -3.90 120.40 113.15 1q4s s VAL 109 Ca 0.39 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1q4s s VAL 109 Cb 0.07 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1q4s s VAL 109 CO 0.12 0.42 -0.20 -0.13 0.00 0.00 0.00 175.10 175.32 1q4s s ARG 110 N 0.97 3.09 -0.02 2.72 0.52 -0.21 -1.48 118.95 124.55 1q4s s ARG 110 Ca -0.07 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1q4s s ARG 110 Cb -0.15 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 1q4s s ARG 110 CO -0.01 0.01 -0.05 0.00 0.02 0.00 0.00 175.30 175.27 1q4s s ALA 111 N 0.79 3.06 -0.12 2.13 0.00 0.18 -0.59 121.76 127.21 1q4s s ALA 111 Ca -0.07 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1q4s s ALA 111 Cb -0.16 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.80 1q4s s ALA 111 CO -0.01 0.61 -0.03 -2.00 0.00 0.00 0.00 175.76 174.33 1q4s s GLU 112 N -1.28 1.07 -0.20 0.00 2.12 0.17 -1.86 118.70 118.72 1q4s s GLU 112 Ca 0.16 -0.18 -0.08 0.00 0.36 0.00 0.00 54.97 55.23 1q4s s GLU 112 Cb -0.11 -1.49 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 1q4s s GLU 112 CO 0.06 -0.35 0.09 0.00 -0.54 0.00 0.00 175.26 174.52 1q4s s ALA 113 N 1.81 3.45 -0.18 6.30 0.00 1.00 -1.06 121.76 133.08 1q4s s ALA 113 Ca 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 1q4s s ALA 113 Cb -0.13 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.95 1q4s s ALA 113 CO -0.07 0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.65 1q4s s VAL 114 N 0.63 2.47 0.13 0.00 1.01 -0.54 -0.91 120.40 123.19 1q4s s VAL 114 Ca 0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1q4s s VAL 114 Cb -0.13 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.12 1q4s s VAL 114 CO 0.01 0.51 1.21 -0.60 0.00 0.00 0.00 175.10 176.24 1q4s s ARG 115 N 1.16 4.46 -0.01 2.72 3.52 0.08 -1.55 118.95 129.33 1q4s s ARG 115 Ca 0.01 1.85 0.06 0.00 -0.13 0.00 0.00 55.73 57.52 1q4s s ARG 115 Cb -0.14 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 1q4s s ARG 115 CO -0.07 -0.18 0.14 0.44 -0.81 0.00 0.00 175.30 174.82 1q4s n ILE 116 N 3.20 0.00 -3.68 4.11 -5.35 0.22 -4.95 119.36 112.91 1q4s n ILE 116 Ca 0.07 -0.16 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 1q4s n ILE 116 Cb 0.45 0.46 -0.09 0.00 -1.74 0.00 0.00 39.64 38.72 1q4s n ILE 116 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1q4s s HIS 117 N -2.27 -0.71 -0.60 4.28 5.04 -1.02 -4.94 115.29 115.07 1q4s s HIS 117 Ca -0.01 1.53 0.05 0.00 -1.54 0.00 0.00 55.06 55.08 1q4s s HIS 117 Cb 0.04 0.34 0.18 0.00 0.04 0.00 0.00 32.58 33.17 1q4s s HIS 117 CO 0.23 -0.37 0.47 0.00 -2.34 0.00 0.00 174.74 172.73 1q4s n ALA 118 N 3.85 3.26 -2.12 1.58 0.00 -1.26 -0.22 120.51 125.60 1q4s n ALA 118 Ca -0.20 -4.08 -0.20 0.00 0.00 0.00 0.00 53.44 48.96 1q4s n ALA 118 Cb 0.56 -0.93 0.16 0.00 0.00 0.00 0.00 19.45 19.25 1q4s n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q4s n GLY 119 N 2.13 -0.70 0.17 0.00 0.00 0.49 -4.98 105.19 102.30 1q4s n GLY 119 Ca 0.24 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.48 1q4s n GLY 119 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q4s h SER 120 N -1.23 0.00 0.00 1.61 4.64 -1.99 -3.33 113.55 113.26 1q4s h SER 120 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1q4s h SER 120 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1q4s h SER 120 CO 0.30 0.41 -0.62 0.35 -0.87 0.00 0.00 176.83 176.39 1q4s n THR 121 N -3.36 0.00 -3.77 2.95 -2.24 -1.26 -4.69 114.28 101.90 1q4s n THR 121 Ca 0.01 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 1q4s n THR 121 Cb 0.60 0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 69.46 1q4s n THR 121 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1q4s s THR 122 N -1.79 -0.01 0.12 4.28 2.01 -1.25 0.50 115.64 119.49 1q4s s THR 122 Ca 0.00 0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.14 1q4s s THR 122 Cb 0.03 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1q4s s THR 122 CO 0.19 0.02 -0.16 0.26 -0.69 0.00 0.00 174.62 174.24 1q4s s TRP 123 N 0.47 2.58 -0.05 4.92 0.52 -0.29 -0.38 118.94 126.72 1q4s s TRP 123 Ca -0.03 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1q4s s TRP 123 Cb -0.04 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.93 1q4s s TRP 123 CO -0.02 0.41 -0.09 0.12 0.02 0.00 0.00 176.95 177.38 1q4s s PHE 124 N -1.21 1.15 0.01 -1.98 5.36 0.69 -0.75 117.98 121.24 1q4s s PHE 124 Ca 0.19 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.84 1q4s s PHE 124 Cb -0.10 -0.88 -0.02 0.00 -0.34 0.00 0.00 43.02 41.68 1q4s s PHE 124 CO 0.11 -0.22 -0.16 -1.58 -1.46 0.00 0.00 175.22 171.92 1q4s s TRP 125 N 0.66 1.43 -0.30 10.12 0.52 -0.52 0.71 118.94 131.55 1q4s s TRP 125 Ca -0.12 -0.30 -0.12 0.00 0.02 0.00 0.00 56.10 55.58 1q4s s TRP 125 Cb -0.14 -0.89 -0.04 0.00 -1.15 0.00 0.00 33.47 31.25 1q4s s TRP 125 CO 0.02 0.01 0.22 -0.51 0.02 0.00 0.00 176.95 176.70 1q4s s ASP 126 N -0.65 6.05 -0.11 2.95 1.01 -0.60 -0.47 116.67 124.85 1q4s s ASP 126 Ca 0.05 -0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.15 1q4s s ASP 126 Cb -0.07 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 1q4s s ASP 126 CO 0.00 -0.13 -0.06 -0.69 0.21 0.00 0.00 175.17 174.50 1q4s s VAL 127 N 1.76 3.72 -0.13 -1.27 1.01 0.68 -1.47 120.40 124.70 1q4s s VAL 127 Ca 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1q4s s VAL 127 Cb -0.17 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1q4s s VAL 127 CO 0.11 0.55 -0.02 -0.44 0.00 0.00 0.00 175.10 175.29 1q4s s SER 128 N -0.17 4.99 -0.19 3.32 0.01 -0.22 -0.41 113.70 121.01 1q4s s SER 128 Ca 0.02 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1q4s s SER 128 Cb -0.13 -1.64 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1q4s s SER 128 CO 0.03 0.25 -0.13 -0.76 0.41 0.00 0.00 173.24 173.03 1q4s s LEU 129 N -0.13 2.31 0.30 2.44 1.02 0.10 -0.65 118.68 124.07 1q4s s LEU 129 Ca 0.03 -0.83 0.10 0.00 0.02 0.00 0.00 54.13 53.45 1q4s s LEU 129 Cb -0.13 -1.33 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 1q4s s LEU 129 CO 0.02 -0.10 -0.05 -0.13 0.02 0.00 0.00 176.35 176.11 1q4s s ARG 130 N 1.35 2.05 0.55 1.70 0.52 0.24 -0.59 118.95 124.76 1q4s s ARG 130 Ca 0.00 -1.63 0.01 0.00 -0.52 0.00 0.00 55.73 53.59 1q4s s ARG 130 Cb -0.15 -1.97 0.11 0.00 0.52 0.00 0.00 34.95 33.45 1q4s s ARG 130 CO -0.09 0.27 0.75 -0.40 0.02 0.00 0.00 175.30 175.85 1q4s n ASP 131 N -0.84 1.12 0.26 0.23 5.68 -0.39 -1.04 116.55 121.56 1q4s n ASP 131 Ca -0.05 -1.92 0.11 0.00 -0.50 0.00 0.00 54.79 52.43 1q4s n ASP 131 Cb 0.60 -0.48 0.71 0.00 -1.14 0.00 0.00 41.12 40.82 1q4s n ASP 131 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1q4s h ASP 132 N -0.40 0.00 0.37 -1.12 3.32 -1.89 0.16 116.42 116.87 1q4s h ASP 132 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1q4s h ASP 132 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1q4s h ASP 132 CO 0.28 0.10 -0.03 0.00 -1.72 0.00 0.00 179.24 177.87 1q4s n ALA 133 N -2.35 2.62 -0.60 3.45 0.00 -1.26 -4.88 120.51 117.49 1q4s n ALA 133 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1q4s n ALA 133 Cb 0.20 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1q4s n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q4s n GLY 134 N 1.22 0.79 3.78 0.00 0.00 0.05 -5.03 105.19 105.99 1q4s n GLY 134 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1q4s n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q4s s ARG 135 N -0.40 3.59 -0.58 1.61 0.52 -1.26 -4.68 118.95 117.74 1q4s s ARG 135 Ca 0.00 1.64 -0.28 0.00 -0.52 0.00 0.00 55.73 56.57 1q4s s ARG 135 Cb 0.00 -2.19 0.03 0.00 0.52 0.00 0.00 34.95 33.30 1q4s s ARG 135 CO 0.00 -0.66 1.26 -1.17 0.02 0.00 0.00 175.30 174.75 1q4s s LEU 136 N -3.42 3.42 -0.12 2.53 2.96 -1.26 -1.26 118.68 121.53 1q4s s LEU 136 Ca 0.68 0.13 0.17 0.00 -0.22 0.00 0.00 54.13 54.88 1q4s s LEU 136 Cb -0.25 -3.11 -0.24 0.00 0.50 0.00 0.00 46.19 43.10 1q4s s LEU 136 CO 0.29 -1.56 0.34 0.00 -1.32 0.00 0.00 176.35 174.10 1q4s s ALA 138 N -2.63 -1.53 0.05 0.00 0.00 -0.95 0.15 121.76 116.86 1q4s s ALA 138 Ca -0.08 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1q4s s ALA 138 Cb 0.07 0.82 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 1q4s s ALA 138 CO 0.83 -0.73 -0.09 0.14 0.00 0.00 0.00 175.76 175.91 1q4s s VAL 139 N -3.62 0.65 -0.02 0.00 -7.23 -0.91 0.03 120.40 109.31 1q4s s VAL 139 Ca 0.01 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1q4s s VAL 139 Cb -0.01 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.19 1q4s s VAL 139 CO -0.12 -0.39 0.00 -0.55 -0.31 0.00 0.00 175.10 173.73 1q4s s SER 140 N -1.72 0.34 -0.33 4.85 0.15 0.45 -0.72 113.70 116.72 1q4s s SER 140 Ca -0.07 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 1q4s s SER 140 Cb -0.09 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1q4s s SER 140 CO 0.00 -0.08 0.43 -0.44 1.20 0.00 0.00 173.24 174.35 1q4s s SER 141 N 0.84 6.25 -0.17 5.45 0.01 0.21 -0.23 113.70 126.07 1q4s s SER 141 Ca -0.08 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 1q4s s SER 141 Cb -0.11 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1q4s s SER 141 CO -0.02 -0.38 -0.05 -0.04 0.41 0.00 0.00 173.24 173.16 1q4s s MET 142 N 2.19 3.55 -0.21 12.44 -1.94 0.38 -1.88 119.30 133.83 1q4s s MET 142 Ca 0.15 -0.57 -0.03 0.00 -1.71 0.00 0.00 55.69 53.53 1q4s s MET 142 Cb -0.16 -2.90 -0.01 0.00 2.01 0.00 0.00 34.83 33.77 1q4s s MET 142 CO 0.12 0.13 -0.05 0.45 -0.01 0.00 0.00 175.02 175.65 1q4s s SER 143 N 0.65 4.29 -0.21 3.03 0.15 0.78 -1.44 113.70 120.95 1q4s s SER 143 Ca -0.03 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1q4s s SER 143 Cb -0.15 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.42 1q4s s SER 143 CO 0.02 0.01 -0.02 -0.63 1.20 0.00 0.00 173.24 173.83 1q4s s ILE 144 N 1.27 3.65 0.23 6.45 -1.09 0.07 -0.24 121.20 131.54 1q4s s ILE 144 Ca 0.03 -0.41 -0.30 0.00 -2.23 0.00 0.00 60.65 57.75 1q4s s ILE 144 Cb -0.14 -2.66 -0.09 0.00 -1.58 0.00 0.00 42.46 38.00 1q4s s ILE 144 CO -0.02 0.42 1.00 0.00 -1.23 0.00 0.00 174.94 175.11 1q4s s ALA 145 N 1.25 3.35 -0.11 9.38 0.00 -0.11 -1.13 121.76 134.39 1q4s s ALA 145 Ca 0.03 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1q4s s ALA 145 Cb -0.14 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1q4s s ALA 145 CO -0.00 0.04 -0.23 0.08 0.00 0.00 0.00 175.76 175.64 1q4s s VAL 146 N -0.91 2.08 0.19 0.00 1.01 0.18 -2.32 120.40 120.62 1q4s s VAL 146 Ca 0.44 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1q4s s VAL 146 Cb -0.28 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1q4s s VAL 146 CO 0.34 0.56 0.33 -0.13 0.00 0.00 0.00 175.10 176.20 1q4s s ARG 147 N 0.42 1.26 0.20 2.72 1.81 0.19 -4.49 118.95 121.06 1q4s s ARG 147 Ca -0.17 -1.20 -0.30 0.00 -1.72 0.00 0.00 55.73 52.34 1q4s s ARG 147 Cb -0.18 0.40 -0.08 0.00 -0.45 0.00 0.00 34.95 34.64 1q4s s ARG 147 CO 0.07 -0.48 1.11 -1.25 -0.68 0.00 0.00 175.30 174.07 1q4s s PRO 148 N -3.99 4.59 0.20 3.54 0.04 -1.26 0.41 135.00 138.53 1q4s s PRO 148 Ca 0.19 1.75 -0.32 0.00 0.04 0.00 0.00 61.00 62.67 1q4s s PRO 148 Cb 0.02 -3.26 -0.12 0.00 0.04 0.00 0.00 34.50 31.19 1q4s s PRO 148 CO 0.03 0.08 1.74 0.54 0.04 0.00 0.00 177.00 179.43 1q4s n ARG 149 N 2.18 2.78 0.26 4.56 1.74 -0.83 -4.62 116.66 122.72 1q4s n ARG 149 Ca 0.02 1.00 0.11 0.00 -0.77 0.00 0.00 57.85 58.21 1q4s n ARG 149 Cb 0.46 -2.86 0.69 0.00 -1.02 0.00 0.00 32.46 29.73 1q4s n ARG 149 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q4s h ARG 150 N 7.03 0.00 -0.01 5.56 3.08 -1.93 -3.49 114.38 124.61 1q4s h ARG 150 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1q4s h ARG 150 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1q4s h ARG 150 CO 0.96 0.12 0.00 -0.40 -1.07 0.00 0.00 179.97 179.57