#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s LYS 2 N 0.00 3.90 0.26 4.33 -0.14 -1.26 -4.98 119.74 121.85 3g4s s LYS 2 Ca 0.00 -0.34 -0.01 0.00 -1.36 0.00 0.00 55.97 54.26 3g4s s LYS 2 Cb 0.00 -3.68 0.35 0.00 -1.68 0.00 0.00 37.83 32.82 3g4s s LYS 2 CO 0.00 -0.22 1.74 1.15 -0.76 0.00 0.00 175.35 177.26 3g4s h THR 3 N 5.39 1.25 -3.27 2.17 2.02 -2.05 -3.44 112.91 114.97 3g4s h THR 3 Ca -0.34 -1.08 -0.53 0.00 0.77 0.00 0.00 66.41 65.23 3g4s h THR 3 Cb 1.18 1.02 0.06 0.00 -1.74 0.00 0.00 68.15 68.68 3g4s h THR 3 CO 0.56 0.37 0.82 0.21 0.37 0.00 0.00 175.52 177.85 3g4s s ASN 4 N -6.70 6.56 0.08 4.18 3.84 -1.26 -4.94 114.94 116.70 3g4s s ASN 4 Ca -0.09 2.75 0.16 0.00 0.21 0.00 0.00 52.86 55.89 3g4s s ASN 4 Cb 0.14 -2.62 -0.12 0.00 -0.55 0.00 0.00 41.25 38.10 3g4s s ASN 4 CO 0.81 -0.79 0.89 -0.65 -2.79 0.00 0.00 177.10 174.57 3g4s h PRO 5 N 5.26 0.00 -0.00 0.43 0.11 -1.99 -3.33 132.00 132.47 3g4s h PRO 5 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g4s h PRO 5 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3g4s h PRO 5 CO 0.80 0.33 -0.41 0.54 -0.21 0.00 0.00 178.00 179.06 3g4s n ARG 6 N -2.94 0.13 0.01 1.05 1.74 -1.26 -2.16 116.66 113.23 3g4s n ARG 6 Ca -0.09 -0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 3g4s n ARG 6 Cb 0.84 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.64 3g4s n ARG 6 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3g4s h LEU 7 N 0.17 0.14 -0.87 0.55 5.85 -1.98 -2.65 115.31 116.51 3g4s h LEU 7 Ca 0.00 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 3g4s h LEU 7 Cb 0.50 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3g4s h LEU 7 CO 0.00 1.21 -0.22 0.28 -0.34 0.00 0.00 178.44 179.38 3g4s h SER 8 N 0.02 0.00 0.13 1.25 0.02 -1.66 -1.44 113.55 111.88 3g4s h SER 8 Ca -0.26 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.43 3g4s h SER 8 Cb 1.99 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.53 3g4s h SER 8 CO 0.10 0.22 -1.28 0.28 -1.14 0.00 0.00 176.83 175.01 3g4s h SER 9 N 0.00 0.44 -0.71 3.07 0.02 -1.50 -3.04 113.55 111.83 3g4s h SER 9 Ca -0.00 -0.89 0.04 0.00 -0.84 0.00 0.00 61.79 60.10 3g4s h SER 9 Cb 0.84 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 3g4s h SER 9 CO 0.03 1.58 0.43 0.25 -1.14 0.00 0.00 176.83 177.98 3g4s h LEU 10 N -0.28 0.70 -0.62 5.07 5.85 -1.33 0.14 115.31 124.83 3g4s h LEU 10 Ca -0.26 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3g4s h LEU 10 Cb 1.77 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 3g4s h LEU 10 CO 0.10 0.47 0.27 0.40 -0.34 0.00 0.00 178.44 179.34 3g4s h ILE 11 N 0.83 1.22 -0.28 4.05 2.04 -1.39 0.16 117.51 124.15 3g4s h ILE 11 Ca 0.30 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3g4s h ILE 11 Cb 0.07 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3g4s h ILE 11 CO -0.13 0.27 -0.17 0.00 0.00 0.00 0.00 178.15 178.12 3g4s h ALA 12 N 1.11 1.19 -0.01 1.87 0.00 -1.18 0.07 119.26 122.31 3g4s h ALA 12 Ca 0.21 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3g4s h ALA 12 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3g4s h ALA 12 CO -0.02 0.52 -0.83 -0.44 0.00 0.00 0.00 179.25 178.47 3g4s h ASP 13 N 0.45 0.27 0.63 0.00 5.19 -0.24 -2.48 116.42 120.24 3g4s h ASP 13 Ca 0.08 -0.20 -0.14 0.00 -0.62 0.00 0.00 57.03 56.14 3g4s h ASP 13 Cb 0.55 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 3g4s h ASP 13 CO 0.04 0.98 -0.67 -0.07 -3.12 0.00 0.00 179.24 176.40 3g4s h LEU 14 N 0.12 0.03 -0.20 1.55 3.38 -0.22 -2.93 115.31 117.05 3g4s h LEU 14 Ca -0.04 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 3g4s h LEU 14 Cb 1.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.18 3g4s h LEU 14 CO 0.13 0.69 -0.56 0.11 0.09 0.00 0.00 178.44 178.90 3g4s h LYS 15 N 0.02 0.73 0.00 1.13 1.57 -0.86 -2.76 116.57 116.40 3g4s h LYS 15 Ca -0.01 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.16 3g4s h LYS 15 Cb 1.18 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3g4s h LYS 15 CO 0.09 1.14 -0.46 1.03 -0.57 0.00 0.00 179.45 180.68 3g4s h SER 16 N 0.45 0.00 1.67 0.86 0.87 -1.45 -2.31 113.55 113.64 3g4s h SER 16 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3g4s h SER 16 Cb 1.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3g4s h SER 16 CO 0.12 0.46 -0.03 0.00 -0.53 0.00 0.00 176.83 176.85 3g4s h ALA 17 N 1.54 0.99 0.00 6.23 0.00 -1.51 0.18 119.26 126.68 3g4s h ALA 17 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g4s h ALA 17 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3g4s h ALA 17 CO 0.06 0.03 -0.55 0.00 0.00 0.00 0.00 179.25 178.79 3g4s h ALA 18 N 1.97 0.72 0.00 0.00 0.00 -1.12 -3.22 119.26 117.61 3g4s h ALA 18 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g4s h ALA 18 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3g4s h ALA 18 CO 0.00 0.00 -0.59 0.54 0.00 0.00 0.00 179.25 179.21 3g4s n ARG 19 N -2.83 0.31 0.23 0.00 1.74 -1.01 -4.37 116.66 110.73 3g4s n ARG 19 Ca 0.02 0.12 0.16 0.00 -0.77 0.00 0.00 57.85 57.38 3g4s n ARG 19 Cb 0.54 -1.02 0.77 0.00 -1.02 0.00 0.00 32.46 31.73 3g4s n ARG 19 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3g4s h SER 20 N -0.59 0.00 -2.41 0.55 0.02 -0.88 -3.44 113.55 106.81 3g4s h SER 20 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g4s h SER 20 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3g4s h SER 20 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 3g4s n SER 21 N -2.62 1.67 -2.22 3.07 7.64 -1.24 -5.05 113.62 114.87 3g4s n SER 21 Ca -0.01 -0.79 -0.28 0.00 1.01 0.00 0.00 58.87 58.80 3g4s n SER 21 Cb 0.12 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.44 3g4s n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g4s n GLY 22 N 4.17 5.04 3.75 0.23 0.00 -1.26 -4.77 105.19 112.35 3g4s n GLY 22 Ca 0.00 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 3g4s n GLY 22 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g4s s GLY 23 N -1.39 3.01 0.00 -0.02 0.00 -1.19 -4.69 107.32 103.04 3g4s s GLY 23 Ca 0.57 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.80 3g4s s GLY 23 CO 0.04 1.18 0.27 0.00 0.00 0.00 0.00 173.10 174.59 3g4s n ALA 24 N 2.02 1.21 -0.09 3.20 0.00 -1.26 -4.60 120.51 120.99 3g4s n ALA 24 Ca -0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 3g4s n ALA 24 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 3g4s n ALA 24 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3g4s n VAL 25 N -0.01 1.00 0.24 0.00 0.24 -1.26 -4.26 118.33 114.27 3g4s n VAL 25 Ca 0.00 -0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.09 3g4s n VAL 25 Cb 0.14 -1.33 0.77 0.00 -1.47 0.00 0.00 33.84 31.96 3g4s n VAL 25 CO 0.00 0.00 0.00 -0.50 -2.14 0.00 0.00 176.83 174.19 3g4s h TRP 26 N -0.22 0.00 0.00 6.34 -0.00 -1.87 0.23 115.95 120.43 3g4s h TRP 26 Ca -0.41 0.00 -0.21 0.00 -0.00 0.00 0.00 58.89 58.27 3g4s h TRP 26 Cb 1.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.66 3g4s h TRP 26 CO -0.01 0.00 -1.20 0.78 -0.00 0.00 0.00 178.44 178.01 3g4s h GLY 27 N 0.00 0.00 1.81 1.49 0.00 -1.82 -2.39 103.07 102.16 3g4s h GLY 27 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.17 3g4s h GLY 27 CO -0.00 0.00 -0.90 -1.80 0.00 0.00 0.00 176.54 173.84 3g4s h ASP 28 N 0.00 0.23 -0.00 0.19 3.58 -1.27 -1.93 116.42 117.21 3g4s h ASP 28 Ca -0.12 -0.19 -0.24 0.00 0.42 0.00 0.00 57.03 56.90 3g4s h ASP 28 Cb 1.74 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 42.73 3g4s h ASP 28 CO 0.09 1.01 -0.91 0.58 -2.88 0.00 0.00 179.24 177.13 3g4s h VAL 29 N 0.09 1.30 0.00 2.25 2.07 -0.68 -3.02 116.25 118.25 3g4s h VAL 29 Ca -0.04 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.28 3g4s h VAL 29 Cb 1.54 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 3g4s h VAL 29 CO 0.14 0.67 -0.23 0.00 0.02 0.00 0.00 177.57 178.16 3g4s h ALA 30 N 0.54 1.28 0.00 1.67 0.00 -1.38 -0.96 119.26 120.41 3g4s h ALA 30 Ca -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3g4s h ALA 30 Cb 1.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3g4s h ALA 30 CO 0.18 0.29 -0.18 0.93 0.00 0.00 0.00 179.25 180.47 3g4s h GLU 31 N 0.00 0.00 0.00 0.00 5.08 -1.26 -2.51 114.58 115.89 3g4s h GLU 31 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3g4s h GLU 31 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3g4s h GLU 31 CO 0.03 0.18 -1.40 -2.13 -1.00 0.00 0.00 179.01 174.69 3g4s n ARG 32 N -3.20 0.63 0.09 2.33 3.00 -0.65 -3.88 116.66 114.98 3g4s n ARG 32 Ca 0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 57.85 57.86 3g4s n ARG 32 Cb 0.52 -1.72 -0.05 0.00 0.00 0.00 0.00 32.46 31.20 3g4s n ARG 32 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3g4s h LEU 33 N 0.00 0.00 -0.90 6.15 3.38 -1.09 -3.14 115.31 119.71 3g4s h LEU 33 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3g4s h LEU 33 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3g4s h LEU 33 CO 0.01 0.84 -0.46 -0.33 0.09 0.00 0.00 178.44 178.58 3g4s h GLU 34 N 0.00 0.00 -7.00 1.13 5.08 -1.59 -3.44 114.58 108.76 3g4s h GLU 34 Ca -0.01 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3g4s h GLU 34 Cb 1.60 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.89 3g4s h GLU 34 CO 0.11 0.46 0.43 0.15 -1.00 0.00 0.00 179.01 179.16 3g4s s LYS 35 N -3.65 3.98 0.54 2.33 1.02 -1.19 -4.98 119.74 117.78 3g4s s LYS 35 Ca -0.01 1.55 -0.18 0.00 0.02 0.00 0.00 55.97 57.36 3g4s s LYS 35 Cb 0.12 -2.41 -0.14 0.00 -0.52 0.00 0.00 37.83 34.87 3g4s s LYS 35 CO 0.72 -0.31 -0.11 -2.30 -0.92 0.00 0.00 175.35 172.43 3g4s n PRO 36 N -0.37 0.04 0.33 -1.68 -0.02 -1.26 -4.79 135.00 127.25 3g4s n PRO 36 Ca 0.06 0.02 0.19 0.00 -2.02 0.00 0.00 63.50 61.75 3g4s n PRO 36 Cb 0.50 -1.06 1.02 0.00 -0.02 0.00 0.00 33.50 33.94 3g4s n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4s h ARG 37 N -0.04 0.00 0.00 -0.52 3.08 -1.93 -0.46 114.38 114.50 3g4s h ARG 37 Ca -0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 3g4s h ARG 37 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 3g4s h ARG 37 CO 0.41 0.00 -0.09 0.07 -1.07 0.00 0.00 179.97 179.29 3g4s h ARG 38 N 0.00 0.00 -0.01 0.04 0.11 -2.00 -3.13 114.38 109.39 3g4s h ARG 38 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3g4s h ARG 38 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3g4s h ARG 38 CO -0.00 0.09 -0.40 0.25 0.10 0.00 0.00 179.97 180.01 3g4s n THR 39 N -3.12 0.00 -1.84 0.08 -2.24 -0.19 -4.95 114.28 102.02 3g4s n THR 39 Ca 0.04 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 3g4s n THR 39 Cb 0.57 0.83 0.04 0.00 -2.10 0.00 0.00 70.33 69.66 3g4s n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3g4s s HIS 40 N -2.53 2.75 -0.32 4.78 3.76 -1.18 -4.96 115.29 117.59 3g4s s HIS 40 Ca 0.20 1.53 -0.29 0.00 -0.15 0.00 0.00 55.06 56.36 3g4s s HIS 40 Cb 0.18 -3.11 -0.00 0.00 1.11 0.00 0.00 32.58 30.77 3g4s s HIS 40 CO 0.57 -1.49 1.40 0.00 -0.85 0.00 0.00 174.74 174.36 3g4s s ALA 41 N -2.40 3.24 -0.57 -1.40 0.00 -1.17 -4.96 121.76 114.49 3g4s s ALA 41 Ca 0.66 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 3g4s s ALA 41 Cb -0.19 -3.84 0.15 0.00 0.00 0.00 0.00 23.12 19.24 3g4s s ALA 41 CO 0.41 -2.01 0.40 -1.21 0.00 0.00 0.00 175.76 173.34 3g4s s GLU 42 N 4.51 2.48 -0.04 0.00 2.02 -1.26 -0.12 118.70 126.30 3g4s s GLU 42 Ca 0.61 -2.30 0.05 0.00 0.02 0.00 0.00 54.97 53.35 3g4s s GLU 42 Cb -0.17 -3.75 -0.01 0.00 0.10 0.00 0.00 34.13 30.30 3g4s s GLU 42 CO 0.27 -1.16 -0.20 0.14 0.02 0.00 0.00 175.26 174.33 3g4s s VAL 43 N 0.34 1.64 0.78 2.63 -7.23 -0.90 -4.97 120.40 112.68 3g4s s VAL 43 Ca 0.14 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.41 3g4s s VAL 43 Cb -0.21 -1.39 0.14 0.00 0.56 0.00 0.00 36.38 35.49 3g4s s VAL 43 CO -0.04 0.47 1.07 0.20 -0.31 0.00 0.00 175.10 176.49 3g4s s ASN 44 N -0.19 4.07 0.20 4.85 0.01 -1.26 -0.12 114.94 122.49 3g4s s ASN 44 Ca 0.00 -0.18 0.04 0.00 -0.71 0.00 0.00 52.86 52.02 3g4s s ASN 44 Cb -0.11 -0.13 0.12 0.00 0.41 0.00 0.00 41.25 41.54 3g4s s ASN 44 CO 0.01 -2.06 1.47 -0.07 -1.51 0.00 0.00 177.10 174.94 3g4s h LEU 45 N -0.80 0.23 0.00 0.60 3.38 -1.51 -3.25 115.31 113.96 3g4s h LEU 45 Ca -0.39 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3g4s h LEU 45 Cb 1.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3g4s h LEU 45 CO 0.40 0.89 0.07 0.61 0.09 0.00 0.00 178.44 180.51 3g4s n GLY 46 N 0.58 -0.42 0.09 0.83 0.00 -1.15 -0.26 105.19 104.86 3g4s n GLY 46 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3g4s n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g4s n ARG 47 N -1.42 1.07 0.14 1.61 0.63 -1.23 -3.94 116.66 113.53 3g4s n ARG 47 Ca 0.00 0.01 -0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3g4s n ARG 47 Cb 0.07 -1.44 0.19 0.00 0.45 0.00 0.00 32.46 31.73 3g4s n ARG 47 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3g4s h ILE 48 N 0.00 1.36 0.01 5.15 2.04 -0.74 -1.82 117.51 123.52 3g4s h ILE 48 Ca -0.47 -2.06 -0.20 0.00 1.00 0.00 0.00 64.86 63.13 3g4s h ILE 48 Cb 2.02 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 40.21 3g4s h ILE 48 CO 0.01 0.58 -0.91 -0.08 0.00 0.00 0.00 178.15 177.75 3g4s h GLU 49 N 0.00 0.11 0.22 2.37 4.57 -1.36 -2.15 114.58 118.34 3g4s h GLU 49 Ca -0.01 -0.13 -0.32 0.00 -1.18 0.00 0.00 59.36 57.72 3g4s h GLU 49 Cb 1.08 0.04 0.03 0.00 -0.16 0.00 0.00 28.75 29.75 3g4s h GLU 49 CO 0.08 0.94 -1.42 -0.09 -1.18 0.00 0.00 179.01 177.34 3g4s h ARG 50 N 0.05 0.51 -0.01 1.92 2.43 -1.64 -3.39 114.38 114.25 3g4s h ARG 50 Ca -0.03 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.29 3g4s h ARG 50 Cb 1.57 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3g4s h ARG 50 CO 0.13 1.40 -0.28 0.66 -1.51 0.00 0.00 179.97 180.38 3g4s n TYR 51 N -3.70 0.00 -3.79 2.20 4.02 -0.70 -5.02 117.16 110.17 3g4s n TYR 51 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.41 3g4s n TYR 51 Cb 1.08 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.35 3g4s n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3g4s s ALA 52 N -1.56 3.88 0.12 -0.72 0.00 -0.81 -5.07 121.76 117.61 3g4s s ALA 52 Ca 0.09 -0.64 0.06 0.00 0.00 0.00 0.00 51.96 51.46 3g4s s ALA 52 Cb 0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3g4s s ALA 52 CO 0.31 0.70 -0.02 -1.14 0.00 0.00 0.00 175.76 175.61 3g4s s GLN 53 N -2.06 2.42 0.56 0.00 0.74 -1.26 -4.92 119.66 115.13 3g4s s GLN 53 Ca 0.31 -0.97 -0.18 0.00 0.05 0.00 0.00 55.36 54.57 3g4s s GLN 53 Cb -0.13 -2.43 -0.05 0.00 1.10 0.00 0.00 33.01 31.50 3g4s s GLN 53 CO 0.20 0.50 1.10 -1.21 -0.55 0.00 0.00 175.29 175.33 3g4s s GLU 54 N -2.53 3.35 -1.31 1.67 2.02 -1.26 -3.17 118.70 117.47 3g4s s GLU 54 Ca 0.26 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.73 3g4s s GLU 54 Cb -0.11 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3g4s s GLU 54 CO 0.18 -0.83 0.00 -0.25 0.02 0.00 0.00 175.26 174.38 3g4s n ASP 55 N -1.50 -4.85 -3.82 -0.19 8.00 -1.26 -4.96 116.55 107.95 3g4s n ASP 55 Ca 0.11 0.30 -0.27 0.00 0.71 0.00 0.00 54.79 55.64 3g4s n ASP 55 Cb 0.52 -3.44 -0.17 0.00 -0.02 0.00 0.00 41.12 38.01 3g4s n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3g4s s GLU 56 N -2.94 1.05 0.20 -1.24 2.12 -1.19 -5.01 118.70 111.69 3g4s s GLU 56 Ca 0.00 -0.39 -0.31 0.00 0.36 0.00 0.00 54.97 54.63 3g4s s GLU 56 Cb 0.00 -1.88 -0.10 0.00 0.26 0.00 0.00 34.13 32.42 3g4s s GLU 56 CO 0.00 -0.48 1.45 0.99 -0.54 0.00 0.00 175.26 176.69 3g4s s THR 57 N 1.75 2.81 -0.24 -1.70 2.01 -0.92 -4.55 115.64 114.81 3g4s s THR 57 Ca 0.01 0.63 -0.15 0.00 0.31 0.00 0.00 61.69 62.49 3g4s s THR 57 Cb -0.15 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 3g4s s THR 57 CO -0.07 0.08 0.35 -0.69 -0.69 0.00 0.00 174.62 173.60 3g4s s VAL 58 N 0.51 5.21 -0.20 3.82 1.01 -0.45 -1.22 120.40 129.08 3g4s s VAL 58 Ca 0.63 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 3g4s s VAL 58 Cb -0.41 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 3g4s s VAL 58 CO 0.37 0.23 -0.04 -0.69 0.00 0.00 0.00 175.10 174.97 3g4s s VAL 59 N 1.58 3.56 -0.19 2.92 1.01 0.18 0.35 120.40 129.81 3g4s s VAL 59 Ca 0.16 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3g4s s VAL 59 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3g4s s VAL 59 CO 0.08 0.44 -0.07 -0.69 0.00 0.00 0.00 175.10 174.86 3g4s s VAL 60 N 1.16 3.30 -0.32 2.92 1.01 0.71 -1.31 120.40 127.88 3g4s s VAL 60 Ca 0.02 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3g4s s VAL 60 Cb -0.14 -2.47 -0.12 0.00 0.00 0.00 0.00 36.38 33.64 3g4s s VAL 60 CO -0.00 0.46 3.23 -0.81 0.00 0.00 0.00 175.10 177.98 3g4s n PRO 61 N 4.36 2.36 0.00 2.72 -0.04 -1.26 -4.08 135.00 139.06 3g4s n PRO 61 Ca -0.18 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 3g4s n PRO 61 Cb 0.51 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3g4s n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4s n GLY 62 N 1.95 -0.77 3.48 0.55 0.00 -1.26 -3.05 105.19 106.09 3g4s n GLY 62 Ca 0.48 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.35 3g4s n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g4s s LYS 63 N -0.11 2.28 -0.20 1.61 2.20 0.83 -0.78 119.74 125.57 3g4s s LYS 63 Ca 0.00 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 3g4s s LYS 63 Cb 0.00 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 3g4s s LYS 63 CO 0.00 0.58 0.06 0.08 -0.36 0.00 0.00 175.35 175.70 3g4s s VAL 64 N -0.87 4.59 0.44 4.02 1.01 -0.43 -2.13 120.40 127.03 3g4s s VAL 64 Ca 0.14 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3g4s s VAL 64 Cb -0.11 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 3g4s s VAL 64 CO 0.04 0.42 0.47 -0.76 0.00 0.00 0.00 175.10 175.27 3g4s s LEU 65 N 0.76 3.42 -0.50 3.92 1.43 0.83 -1.01 118.68 127.52 3g4s s LEU 65 Ca 0.03 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.48 3g4s s LEU 65 Cb -0.13 -2.16 0.43 0.00 0.03 0.00 0.00 46.19 44.35 3g4s s LEU 65 CO 0.02 -0.76 1.50 0.61 0.23 0.00 0.00 176.35 177.95 3g4s n GLY 66 N -1.70 6.05 3.79 -3.19 0.00 -1.26 -3.41 105.19 105.47 3g4s n GLY 66 Ca 0.05 -2.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.13 3g4s n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g4s s SER 67 N -2.78 6.38 0.00 1.61 0.15 -1.26 -4.83 113.70 112.97 3g4s s SER 67 Ca 0.54 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.64 3g4s s SER 67 Cb 0.44 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 3g4s s SER 67 CO -0.10 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.21 3g4s n GLY 68 N 2.76 0.51 3.66 9.45 0.00 -1.26 -2.57 105.19 117.75 3g4s n GLY 68 Ca -0.16 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.48 3g4s n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4s s VAL 69 N -1.26 4.05 -0.12 1.61 1.01 -1.26 -4.71 120.40 119.72 3g4s s VAL 69 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3g4s s VAL 69 Cb 0.00 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.60 3g4s s VAL 69 CO 0.00 0.38 -0.13 -0.22 0.00 0.00 0.00 175.10 175.12 3g4s s LEU 70 N -1.53 1.61 -0.01 3.92 2.96 -1.26 -4.41 118.68 119.96 3g4s s LEU 70 Ca 0.19 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3g4s s LEU 70 Cb -0.11 -1.06 -0.07 0.00 0.50 0.00 0.00 46.19 45.45 3g4s s LEU 70 CO 0.10 -0.03 0.09 0.00 -1.32 0.00 0.00 176.35 175.19 3g4s n GLN 71 N 4.50 0.17 -2.44 1.98 6.02 -1.26 -4.87 117.38 121.47 3g4s n GLN 71 Ca -0.17 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.45 3g4s n GLN 71 Cb 0.51 -1.10 -0.03 0.00 1.02 0.00 0.00 30.24 30.63 3g4s n GLN 71 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3g4s s LYS 72 N -2.29 3.82 -1.25 -1.09 1.02 -1.26 -4.97 119.74 113.72 3g4s s LYS 72 Ca -0.02 1.16 -0.07 0.00 0.02 0.00 0.00 55.97 57.06 3g4s s LYS 72 Cb 0.03 -2.11 0.18 0.00 -0.52 0.00 0.00 37.83 35.41 3g4s s LYS 72 CO 0.17 -0.39 1.98 -3.47 -0.92 0.00 0.00 175.35 172.73 3g4s n ASP 73 N -1.32 6.43 -4.90 2.83 2.03 -1.25 -4.61 116.55 115.76 3g4s n ASP 73 Ca 0.08 -3.21 -0.33 0.00 0.52 0.00 0.00 54.79 51.84 3g4s n ASP 73 Cb 0.53 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 39.50 3g4s n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3g4s s VAL 74 N -0.95 5.35 -0.46 5.18 -7.23 -1.26 -4.49 120.40 116.53 3g4s s VAL 74 Ca 0.43 -0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.45 3g4s s VAL 74 Cb 0.13 -3.57 0.09 0.00 0.56 0.00 0.00 36.38 33.59 3g4s s VAL 74 CO -0.02 0.30 0.36 -0.89 -0.31 0.00 0.00 175.10 174.53 3g4s s THR 75 N -1.36 4.77 0.18 5.32 2.01 -1.26 -2.95 115.64 122.34 3g4s s THR 75 Ca 0.29 -1.31 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 3g4s s THR 75 Cb -0.13 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 3g4s s THR 75 CO 0.19 -0.61 0.66 -0.69 -0.69 0.00 0.00 174.62 173.47 3g4s s VAL 76 N 1.53 4.66 -0.07 3.82 1.01 -0.71 -1.35 120.40 129.30 3g4s s VAL 76 Ca 0.04 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.18 3g4s s VAL 76 Cb -0.25 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.31 3g4s s VAL 76 CO 0.04 0.28 -0.03 0.00 0.00 0.00 0.00 175.10 175.38 3g4s s ALA 77 N -1.44 0.82 0.34 5.51 0.00 0.15 -1.08 121.76 126.07 3g4s s ALA 77 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3g4s s ALA 77 Cb -0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 3g4s s ALA 77 CO 0.20 -0.27 0.38 0.00 0.00 0.00 0.00 175.76 176.07 3g4s s ALA 78 N 1.51 1.31 -0.04 0.00 0.00 -1.21 -0.21 121.76 123.11 3g4s s ALA 78 Ca -0.01 -1.80 -0.24 0.00 0.00 0.00 0.00 51.96 49.91 3g4s s ALA 78 Cb -0.13 1.31 -0.23 0.00 0.00 0.00 0.00 23.12 24.07 3g4s s ALA 78 CO -0.04 -0.73 1.04 0.28 0.00 0.00 0.00 175.76 176.32 3g4s h VAL 79 N 2.12 1.52 -3.75 0.00 2.07 -1.11 -1.13 116.25 115.99 3g4s h VAL 79 Ca -0.27 -1.97 -0.10 0.00 0.82 0.00 0.00 66.70 65.19 3g4s h VAL 79 Cb 1.24 2.73 -0.15 0.00 -1.52 0.00 0.00 31.29 33.59 3g4s h VAL 79 CO 0.38 0.54 -0.40 -0.62 0.02 0.00 0.00 177.57 177.50 3g4s s ASP 80 N -6.39 0.11 0.07 0.57 2.15 -1.18 -4.78 116.67 107.22 3g4s s ASP 80 Ca -0.15 -0.57 0.05 0.00 0.43 0.00 0.00 52.55 52.30 3g4s s ASP 80 Cb 0.01 0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.92 3g4s s ASP 80 CO 0.76 -0.66 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.59 3g4s s PHE 81 N -3.41 1.23 0.39 -5.34 0.40 -1.26 -1.31 117.98 108.67 3g4s s PHE 81 Ca 0.02 -0.44 -0.20 0.00 -0.60 0.00 0.00 56.93 55.70 3g4s s PHE 81 Cb 0.03 -0.70 -0.10 0.00 0.51 0.00 0.00 43.02 42.76 3g4s s PHE 81 CO -0.09 0.06 0.89 -1.54 0.70 0.00 0.00 175.22 175.24 3g4s s SER 82 N -1.66 6.93 0.65 1.36 1.04 -0.18 -4.89 113.70 116.95 3g4s s SER 82 Ca -0.01 1.59 0.31 0.00 0.48 0.00 0.00 55.95 58.31 3g4s s SER 82 Cb -0.10 -2.50 1.67 0.00 0.10 0.00 0.00 66.02 65.19 3g4s s SER 82 CO 0.02 -0.29 1.96 1.23 0.98 0.00 0.00 173.24 177.15 3g4s h GLY 83 N 2.12 0.00 0.80 7.32 0.00 -2.00 -0.27 103.07 111.04 3g4s h GLY 83 Ca -0.49 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.59 3g4s h GLY 83 CO 0.62 0.00 -1.73 2.41 0.00 0.00 0.00 176.54 177.84 3g4s n THR 84 N -3.12 1.39 0.14 4.70 -1.04 -1.26 -3.46 114.28 111.63 3g4s n THR 84 Ca -0.00 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.05 61.11 3g4s n THR 84 Cb 0.40 -0.82 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 3g4s n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g4s h ALA 85 N 1.16 -0.37 -0.17 2.41 0.00 -1.35 -1.43 119.26 119.51 3g4s h ALA 85 Ca -0.28 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.51 3g4s h ALA 85 Cb 1.88 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 3g4s h ALA 85 CO 0.06 -0.55 0.14 1.49 0.00 0.00 0.00 179.25 180.38 3g4s h GLU 86 N -0.68 0.00 -0.05 0.00 4.81 -1.56 0.15 114.58 117.25 3g4s h GLU 86 Ca -0.04 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 3g4s h GLU 86 Cb 0.47 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.86 3g4s h GLU 86 CO 0.06 0.00 -0.58 1.15 -0.73 0.00 0.00 179.01 178.91 3g4s h THR 87 N 0.00 1.39 0.00 0.32 2.02 -1.55 -2.26 112.91 112.82 3g4s h THR 87 Ca 0.08 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.30 3g4s h THR 87 Cb 0.36 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 3g4s h THR 87 CO -0.00 0.58 0.00 0.11 0.37 0.00 0.00 175.52 176.58 3g4s h LYS 88 N 0.04 0.00 0.04 6.66 1.57 0.12 -3.08 116.57 121.91 3g4s h LYS 88 Ca -0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.45 3g4s h LYS 88 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 3g4s h LYS 88 CO 0.12 0.00 -1.50 -0.89 -0.57 0.00 0.00 179.45 176.61 3g4s n ILE 89 N -2.79 1.62 0.60 1.86 5.41 0.33 -4.01 119.36 122.37 3g4s n ILE 89 Ca 0.02 -0.23 0.06 0.00 1.00 0.00 0.00 62.75 63.61 3g4s n ILE 89 Cb 0.36 -1.95 0.32 0.00 -0.71 0.00 0.00 39.64 37.66 3g4s n ILE 89 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3g4s n ASP 90 N -4.14 0.00 0.05 4.38 9.92 -0.85 -0.06 116.55 125.84 3g4s n ASP 90 Ca -0.32 0.08 -0.09 0.00 -0.53 0.00 0.00 54.79 53.93 3g4s n ASP 90 Cb 0.80 -0.27 -0.13 0.00 -0.64 0.00 0.00 41.12 40.88 3g4s n ASP 90 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 3g4s h GLN 91 N 0.00 0.04 -0.12 -1.24 4.15 -1.67 -3.38 115.11 112.89 3g4s h GLN 91 Ca 0.00 -0.07 -0.19 0.00 0.77 0.00 0.00 58.65 59.15 3g4s h GLN 91 Cb 0.11 0.03 -0.38 0.00 0.21 0.00 0.00 27.48 27.45 3g4s h GLN 91 CO 0.00 0.93 -1.01 1.33 -1.93 0.00 0.00 178.83 178.15 3g4s n VAL 92 N -3.31 0.36 0.00 2.39 0.24 -0.49 -5.12 118.33 112.39 3g4s n VAL 92 Ca -0.05 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.75 3g4s n VAL 92 Cb 0.98 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 34.41 3g4s n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g4s n GLY 93 N 0.12 -0.67 3.01 7.63 0.00 0.91 -3.78 105.19 112.42 3g4s n GLY 93 Ca 0.04 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 3g4s n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g4s s GLU 94 N -1.37 0.15 -0.47 1.61 2.12 -1.15 -4.28 118.70 115.30 3g4s s GLU 94 Ca 0.00 0.71 -0.20 0.00 0.36 0.00 0.00 54.97 55.84 3g4s s GLU 94 Cb 0.00 -0.06 0.04 0.00 0.26 0.00 0.00 34.13 34.37 3g4s s GLU 94 CO 0.00 -0.27 0.64 0.00 -0.54 0.00 0.00 175.26 175.09 3g4s s ALA 95 N 2.24 3.36 -0.07 6.30 0.00 -1.26 -1.73 121.76 130.60 3g4s s ALA 95 Ca -0.00 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.53 3g4s s ALA 95 Cb -0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3g4s s ALA 95 CO -0.08 -1.90 -0.12 0.08 0.00 0.00 0.00 175.76 173.74 3g4s s VAL 96 N 2.76 3.25 0.39 0.00 1.01 -0.24 -5.01 120.40 122.55 3g4s s VAL 96 Ca 0.19 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 3g4s s VAL 96 Cb -0.16 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 3g4s s VAL 96 CO 0.16 0.58 1.13 -0.94 0.00 0.00 0.00 175.10 176.03 3g4s s SER 97 N -0.56 6.65 0.65 3.32 1.04 -1.26 -3.34 113.70 120.19 3g4s s SER 97 Ca 0.08 2.26 0.41 0.00 0.48 0.00 0.00 55.95 59.18 3g4s s SER 97 Cb -0.12 -2.61 2.26 0.00 0.10 0.00 0.00 66.02 65.65 3g4s s SER 97 CO 0.02 -0.58 2.33 0.25 0.98 0.00 0.00 173.24 176.24 3g4s h LEU 98 N 2.71 0.00 -0.58 2.42 5.85 -1.50 -0.78 115.31 123.43 3g4s h LEU 98 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3g4s h LEU 98 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3g4s h LEU 98 CO 0.63 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 178.40 3g4s h GLU 99 N 0.00 0.00 0.00 1.25 5.08 -1.91 -3.13 114.58 115.88 3g4s h GLU 99 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3g4s h GLU 99 Cb 0.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3g4s h GLU 99 CO 0.00 0.00 -0.82 1.96 -1.00 0.00 0.00 179.01 179.15 3g4s h GLN 100 N 0.00 0.01 -0.01 2.33 4.20 -1.52 -3.37 115.11 116.74 3g4s h GLN 100 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3g4s h GLN 100 Cb 0.73 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 3g4s h GLN 100 CO 0.00 1.01 0.35 0.00 -0.67 0.00 0.00 178.83 179.52 3g4s h ALA 101 N -0.30 1.37 0.08 3.87 0.00 -1.49 0.16 119.26 122.97 3g4s h ALA 101 Ca -0.22 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 3g4s h ALA 101 Cb 1.22 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.02 3g4s h ALA 101 CO -0.12 -0.36 -1.15 0.82 0.00 0.00 0.00 179.25 178.44 3g4s h ILE 102 N 0.00 1.37 0.02 0.00 2.04 -1.71 -0.29 117.51 118.94 3g4s h ILE 102 Ca 0.01 -2.59 -0.24 0.00 1.00 0.00 0.00 64.86 63.03 3g4s h ILE 102 Cb 0.71 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 3g4s h ILE 102 CO -0.00 0.78 -1.25 -0.08 0.00 0.00 0.00 178.15 177.60 3g4s h GLU 103 N 0.22 0.05 0.00 2.37 4.81 -0.96 -2.81 114.58 118.26 3g4s h GLU 103 Ca -0.14 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3g4s h GLU 103 Cb 1.82 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.23 3g4s h GLU 103 CO 0.21 0.91 -0.31 0.09 -0.73 0.00 0.00 179.01 179.18 3g4s n ASN 104 N -3.30 0.53 -2.77 1.04 4.13 -0.12 -4.43 115.26 110.33 3g4s n ASN 104 Ca -0.06 0.23 -0.09 0.00 1.68 0.00 0.00 54.58 56.33 3g4s n ASN 104 Cb 0.98 -0.19 0.06 0.00 -1.54 0.00 0.00 39.78 39.09 3g4s n ASN 104 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3g4s n ASN 105 N -1.88 -2.43 0.30 6.41 2.85 -0.12 -5.01 115.26 115.38 3g4s n ASN 105 Ca 0.05 -3.45 0.18 0.00 -0.11 0.00 0.00 54.58 51.25 3g4s n ASN 105 Cb 0.39 1.71 0.92 0.00 1.24 0.00 0.00 39.78 44.04 3g4s n ASN 105 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3g4s h PRO 106 N 3.53 0.00 0.00 1.20 0.13 -1.67 -1.46 132.00 133.73 3g4s h PRO 106 Ca -0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.92 3g4s h PRO 106 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3g4s h PRO 106 CO 0.25 0.03 -0.46 0.93 -0.23 0.00 0.00 178.00 178.52 3g4s h GLU 107 N 0.00 0.00 -4.85 0.86 3.07 -1.87 -3.32 114.58 108.47 3g4s h GLU 107 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 3g4s h GLU 107 Cb 0.26 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.32 3g4s h GLU 107 CO 0.00 0.46 -0.65 0.41 -1.40 0.00 0.00 179.01 177.84 3g4s n GLY 108 N 1.01 -0.65 3.65 -3.84 0.00 -0.55 -3.15 105.19 101.66 3g4s n GLY 108 Ca 0.02 0.37 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 3g4s n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g4s s SER 109 N -3.31 4.58 -1.42 1.61 1.04 -1.26 -4.70 113.70 110.23 3g4s s SER 109 Ca 0.34 -0.61 -0.00 0.00 0.48 0.00 0.00 55.95 56.15 3g4s s SER 109 Cb -0.04 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.21 3g4s s SER 109 CO 0.56 0.01 0.38 1.41 0.98 0.00 0.00 173.24 176.58 3g4s n HIS 110 N -0.82 -1.61 -4.22 5.02 8.25 -1.26 -4.87 115.22 115.71 3g4s n HIS 110 Ca -0.07 0.73 -0.24 0.00 -0.26 0.00 0.00 57.72 57.89 3g4s n HIS 110 Cb 0.59 -3.66 -0.17 0.00 1.12 0.00 0.00 29.99 27.87 3g4s n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3g4s s VAL 111 N -4.00 0.86 -0.12 1.59 0.11 -1.26 -2.15 120.40 115.43 3g4s s VAL 111 Ca 0.00 -0.27 -0.10 0.00 -2.93 0.00 0.00 61.98 58.68 3g4s s VAL 111 Cb -0.00 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 3g4s s VAL 111 CO 0.90 0.31 0.22 -0.60 -3.33 0.00 0.00 175.10 172.60 3g4s s ARG 112 N 1.11 3.80 -0.36 1.54 6.06 -0.36 -4.93 118.95 125.82 3g4s s ARG 112 Ca -0.07 -0.00 -0.13 0.00 -2.50 0.00 0.00 55.73 53.02 3g4s s ARG 112 Cb -0.14 -3.28 -0.00 0.00 0.06 0.00 0.00 34.95 31.59 3g4s s ARG 112 CO -0.01 0.58 0.26 0.08 -2.50 0.00 0.00 175.30 173.71 3g4s s VAL 113 N -0.53 5.26 -0.09 7.11 1.01 -1.26 0.50 120.40 132.39 3g4s s VAL 113 Ca 0.16 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3g4s s VAL 113 Cb -0.13 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3g4s s VAL 113 CO 0.05 -0.11 -0.14 -0.63 0.00 0.00 0.00 175.10 174.27 3g4s s ILE 114 N 1.70 3.06 0.00 2.22 -1.09 -0.43 -4.96 121.20 121.71 3g4s s ILE 114 Ca 0.06 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 3g4s s ILE 114 Cb -0.18 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 3g4s s ILE 114 CO 0.10 0.56 0.00 -2.11 -1.23 0.00 0.00 174.94 172.26