#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p1c h TRP 44 N 0.00 0.00 -0.19 -1.55 5.08 -2.04 -2.59 115.95 114.66 1p1c h TRP 44 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1p1c h TRP 44 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1p1c h TRP 44 CO 0.00 0.16 0.00 -0.85 -1.28 0.00 0.00 178.44 176.47 1p1c n GLU 45 N -3.66 1.78 -0.26 0.12 0.00 -1.26 -4.38 120.64 112.97 1p1c n GLU 45 Ca -0.02 -1.17 0.03 0.00 0.00 0.00 0.00 57.16 56.01 1p1c n GLU 45 Cb 0.28 -1.39 0.12 0.00 0.00 0.00 0.00 31.44 30.45 1p1c n GLU 45 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1p1c h THR 46 N 2.33 0.28 -0.64 3.84 2.02 -1.90 0.49 112.91 119.33 1p1c h THR 46 Ca 0.00 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.28 1p1c h THR 46 Cb 0.51 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1p1c h THR 46 CO 0.00 0.01 0.43 -0.65 0.37 0.00 0.00 175.52 175.68 1p1c h PRO 47 N 0.04 0.40 -0.07 6.66 0.11 -1.85 0.48 132.00 137.78 1p1c h PRO 47 Ca 0.39 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 1p1c h PRO 47 Cb 0.65 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1p1c h PRO 47 CO -0.73 0.26 -0.08 -0.92 -0.21 0.00 0.00 178.00 176.33 1p1c h TYR 48 N 0.41 0.21 -0.92 0.65 -0.00 -0.40 -2.08 116.97 114.84 1p1c h TYR 48 Ca 0.30 -0.06 0.16 0.00 -0.00 0.00 0.00 58.73 59.12 1p1c h TYR 48 Cb 0.63 -0.04 -0.10 0.00 -0.00 0.00 0.00 36.73 37.22 1p1c h TYR 48 CO -0.00 0.63 0.52 0.52 -0.00 0.00 0.00 178.16 179.83 1p1c h MET 49 N -0.27 0.71 0.00 1.82 2.86 0.27 0.17 114.93 120.48 1p1c h MET 49 Ca 0.01 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1p1c h MET 49 Cb 0.59 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1p1c h MET 49 CO 0.02 0.47 -0.40 0.45 1.06 0.00 0.00 176.91 178.51 1p1c h HIS 50 N 0.73 0.00 -0.37 -0.22 3.86 -0.83 -0.13 115.15 118.18 1p1c h HIS 50 Ca 0.50 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.57 1p1c h HIS 50 Cb 0.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1p1c h HIS 50 CO -0.05 0.40 -0.33 1.03 0.86 0.00 0.00 177.93 179.83 1p1c h SER 51 N 0.00 0.94 -0.45 2.45 0.87 0.01 -0.91 113.55 116.45 1p1c h SER 51 Ca -0.00 -0.46 -0.14 0.00 -1.23 0.00 0.00 61.79 59.96 1p1c h SER 51 Cb 0.74 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1p1c h SER 51 CO 0.05 1.20 -0.26 -0.07 -0.53 0.00 0.00 176.83 177.22 1p1c h LEU 52 N 0.69 1.02 0.51 2.23 3.38 -0.84 -2.31 115.31 119.98 1p1c h LEU 52 Ca 0.06 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1p1c h LEU 52 Cb 0.92 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1p1c h LEU 52 CO 0.08 1.21 -0.24 0.00 0.09 0.00 0.00 178.44 179.58 1p1c h ALA 53 N 0.84 -0.68 -0.82 1.53 0.00 -0.93 -2.13 119.26 117.06 1p1c h ALA 53 Ca 0.10 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1p1c h ALA 53 Cb 0.85 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 1p1c h ALA 53 CO 0.08 -0.81 0.54 0.00 0.00 0.00 0.00 179.25 179.05 1p1c h ALA 54 N -0.40 1.85 -0.26 0.00 0.00 -1.18 -0.43 119.26 118.84 1p1c h ALA 54 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1p1c h ALA 54 Cb 0.58 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1p1c h ALA 54 CO 0.11 -0.05 -0.37 0.00 0.00 0.00 0.00 179.25 178.94 1p1c h ALA 55 N 1.61 0.39 0.00 0.00 0.00 -1.33 -1.17 119.26 118.77 1p1c h ALA 55 Ca 0.40 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1p1c h ALA 55 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1p1c h ALA 55 CO -0.16 0.47 -0.45 0.00 0.00 0.00 0.00 179.25 179.12 1p1c h ALA 56 N 0.66 0.93 -0.01 0.00 0.00 -0.84 -2.66 119.26 117.35 1p1c h ALA 56 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1p1c h ALA 56 Cb 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1p1c h ALA 56 CO 0.09 0.56 -0.10 0.00 0.00 0.00 0.00 179.25 179.79 1p1c n ALA 57 N -2.31 2.77 0.30 0.00 0.00 -0.22 -4.06 120.51 117.00 1p1c n ALA 57 Ca -0.00 -0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.05 1p1c n ALA 57 Cb 0.56 -1.17 0.15 0.00 0.00 0.00 0.00 19.45 18.99 1p1c n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1p1c n SER 58 N -0.21 0.00 0.00 0.00 3.41 -0.45 -1.88 113.62 114.49 1p1c n SER 58 Ca 0.16 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1p1c n SER 58 Cb 0.34 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1p1c n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p1c n ARG 59 N -1.11 2.00 0.00 4.33 5.12 -1.26 -5.09 116.66 120.65 1p1c n ARG 59 Ca 0.03 -0.20 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1p1c n ARG 59 Cb 0.03 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 1p1c n ARG 59 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p1c n GLY 60 N 0.34 -0.60 7.00 -0.13 0.00 -0.79 -4.98 105.19 106.04 1p1c n GLY 60 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1p1c n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p1c n GLY 61 N 0.00 -0.11 3.61 -0.02 0.00 -1.26 -4.56 105.19 102.85 1p1c n GLY 61 Ca 0.00 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1p1c n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1p1c s ARG 62 N 0.00 3.89 -0.12 1.61 3.52 -1.26 -2.17 118.95 124.42 1p1c s ARG 62 Ca 0.00 0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 56.18 1p1c s ARG 62 Cb 0.00 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1p1c s ARG 62 CO 0.00 -0.87 0.04 0.08 -0.81 0.00 0.00 175.30 173.75 1p1c s VAL 63 N 3.34 4.67 -0.23 7.11 1.01 -0.97 -0.49 120.40 134.84 1p1c s VAL 63 Ca 0.37 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1p1c s VAL 63 Cb -0.13 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1p1c s VAL 63 CO 0.16 0.56 0.04 -0.22 0.00 0.00 0.00 175.10 175.65 1p1c s LEU 64 N -0.50 3.36 -0.22 3.92 2.96 0.74 -0.27 118.68 128.66 1p1c s LEU 64 Ca 0.10 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1p1c s LEU 64 Cb -0.12 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.74 1p1c s LEU 64 CO 0.02 0.00 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.26 1p1c s GLU 65 N 1.37 2.04 -0.17 1.98 2.12 0.16 0.12 118.70 126.32 1p1c s GLU 65 Ca 0.05 -1.01 -0.14 0.00 0.36 0.00 0.00 54.97 54.23 1p1c s GLU 65 Cb -0.15 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 1p1c s GLU 65 CO 0.02 -0.50 0.30 0.08 -0.54 0.00 0.00 175.26 174.62 1p1c s VAL 66 N 1.31 5.30 0.00 3.70 1.01 0.14 -1.61 120.40 130.25 1p1c s VAL 66 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1p1c s VAL 66 Cb -0.18 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1p1c s VAL 66 CO -0.07 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1p1c n GLY 67 N 3.51 -1.74 0.14 4.51 0.00 -0.19 -1.57 105.19 109.85 1p1c n GLY 67 Ca -0.12 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1p1c n GLY 67 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1p1c h PHE 68 N 0.00 0.85 0.00 1.61 3.04 -1.83 -3.44 116.94 117.17 1p1c h PHE 68 Ca 0.00 -0.62 0.00 0.00 3.98 0.00 0.00 57.97 61.33 1p1c h PHE 68 Cb 0.00 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1p1c h PHE 68 CO 0.00 1.51 0.00 0.41 -2.02 0.00 0.00 178.31 178.21 1p1c n GLY 69 N 1.69 2.88 1.10 2.40 0.00 -1.26 -0.54 105.19 111.45 1p1c n GLY 69 Ca -0.16 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1p1c n GLY 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1p1c n MET 70 N 14.00 2.65 -2.40 1.61 0.00 -1.26 -4.92 117.12 126.80 1p1c n MET 70 Ca 0.00 -1.91 -0.19 0.00 0.00 0.00 0.00 57.70 55.60 1p1c n MET 70 Cb 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 33.22 31.61 1p1c n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1p1c n ALA 71 N 0.79 -0.65 -0.03 3.04 0.00 0.30 -4.88 120.51 119.08 1p1c n ALA 71 Ca 0.17 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.67 1p1c n ALA 71 Cb 0.58 -2.04 0.04 0.00 0.00 0.00 0.00 19.45 18.03 1p1c n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1p1c h ILE 72 N 0.00 1.30 0.15 0.00 5.03 -1.91 -2.32 117.51 119.76 1p1c h ILE 72 Ca -0.45 -1.70 -0.31 0.00 -0.12 0.00 0.00 64.86 62.28 1p1c h ILE 72 Cb 1.33 1.65 0.01 0.00 -3.03 0.00 0.00 36.82 36.77 1p1c h ILE 72 CO 0.53 0.54 -1.48 0.00 -0.68 0.00 0.00 178.15 177.06 1p1c h ALA 73 N 0.94 0.15 -0.64 1.87 0.00 -1.90 -3.23 119.26 116.44 1p1c h ALA 73 Ca 0.02 -1.02 0.07 0.00 0.00 0.00 0.00 54.91 53.98 1p1c h ALA 73 Cb 1.04 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1p1c h ALA 73 CO 0.10 1.02 0.42 0.00 0.00 0.00 0.00 179.25 180.79 1p1c h ALA 74 N 0.42 1.80 0.05 0.00 0.00 -1.87 -0.80 119.26 118.87 1p1c h ALA 74 Ca -0.23 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1p1c h ALA 74 Cb 2.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 1p1c h ALA 74 CO 0.19 0.09 -1.06 0.77 0.00 0.00 0.00 179.25 179.24 1p1c h SER 75 N 0.62 0.26 1.06 0.00 0.02 -1.52 -2.58 113.55 111.41 1p1c h SER 75 Ca 0.28 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1p1c h SER 75 Cb 0.31 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1p1c h SER 75 CO -0.09 1.15 -0.36 -0.09 -1.14 0.00 0.00 176.83 176.31 1p1c h ARG 76 N 0.07 0.00 -0.04 3.45 9.65 -1.44 -2.80 114.38 123.27 1p1c h ARG 76 Ca -0.07 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.76 1p1c h ARG 76 Cb 1.77 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.35 1p1c h ARG 76 CO 0.16 0.36 -0.14 0.28 2.80 0.00 0.00 179.97 183.43 1p1c h VAL 77 N 0.00 1.47 0.00 0.20 2.07 -1.13 -2.88 116.25 115.97 1p1c h VAL 77 Ca -0.00 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1p1c h VAL 77 Cb 0.99 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1p1c h VAL 77 CO 0.05 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.07 1p1c n GLN 78 N -4.62 0.19 0.00 1.57 1.13 -0.98 -0.57 117.38 114.11 1p1c n GLN 78 Ca -0.09 0.08 0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1p1c n GLN 78 Cb 0.40 -1.50 0.37 0.00 0.11 0.00 0.00 30.24 29.62 1p1c n GLN 78 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1p1c n GLN 79 N -1.10 0.97 -3.04 -1.09 7.27 -1.07 -4.83 117.38 114.49 1p1c n GLN 79 Ca 0.05 -0.59 -0.18 0.00 0.07 0.00 0.00 57.00 56.35 1p1c n GLN 79 Cb 0.04 -1.49 0.01 0.00 2.41 0.00 0.00 30.24 31.21 1p1c n GLN 79 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1p1c s ALA 80 N -2.44 4.42 -0.35 1.69 0.00 0.27 -4.96 121.76 120.38 1p1c s ALA 80 Ca 0.26 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1p1c s ALA 80 Cb 0.19 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1p1c s ALA 80 CO 0.50 -0.29 0.57 -0.35 0.00 0.00 0.00 175.76 176.19 1p1c n PRO 81 N -1.87 0.69 -1.14 0.00 -0.04 -1.26 -4.87 135.00 126.51 1p1c n PRO 81 Ca 0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 1p1c n PRO 81 Cb 0.59 -1.22 0.11 0.00 -0.04 0.00 0.00 33.50 32.94 1p1c n PRO 81 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1p1c n ILE 82 N 0.48 1.93 -0.08 0.52 -0.00 -1.26 -4.48 119.36 116.46 1p1c n ILE 82 Ca 0.00 -0.27 -0.11 0.00 -0.00 0.00 0.00 62.75 62.37 1p1c n ILE 82 Cb 0.28 -1.05 -0.09 0.00 -0.00 0.00 0.00 39.64 38.79 1p1c n ILE 82 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 1p1c n LYS 83 N -2.45 0.71 -4.08 0.38 2.85 -0.92 -4.81 118.16 109.84 1p1c n LYS 83 Ca 0.12 0.08 -0.11 0.00 -1.05 0.00 0.00 58.31 57.35 1p1c n LYS 83 Cb 0.50 -1.35 -0.11 0.00 -0.65 0.00 0.00 35.03 33.43 1p1c n LYS 83 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1p1c s GLU 84 N -2.34 0.57 -0.26 -1.58 2.02 -1.07 -3.95 118.70 112.08 1p1c s GLU 84 Ca -0.20 -0.91 -0.02 0.00 0.02 0.00 0.00 54.97 53.86 1p1c s GLU 84 Cb 0.06 -0.16 0.09 0.00 0.10 0.00 0.00 34.13 34.22 1p1c s GLU 84 CO 0.43 0.00 0.09 -1.58 0.02 0.00 0.00 175.26 174.22 1p1c s HIS 85 N -2.14 1.07 -0.26 1.61 2.46 0.05 -2.29 115.29 115.79 1p1c s HIS 85 Ca -0.04 -1.19 -0.10 0.00 0.47 0.00 0.00 55.06 54.20 1p1c s HIS 85 Cb -0.05 -1.25 -0.04 0.00 -0.13 0.00 0.00 32.58 31.11 1p1c s HIS 85 CO -0.02 -0.77 0.14 -1.58 -2.47 0.00 0.00 174.74 170.04 1p1c s TRP 86 N 1.84 3.19 -0.07 3.88 0.52 0.62 -0.04 118.94 128.88 1p1c s TRP 86 Ca 0.06 -0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.16 1p1c s TRP 86 Cb -0.17 -2.30 0.02 0.00 -1.15 0.00 0.00 33.47 29.87 1p1c s TRP 86 CO -0.23 -0.17 -0.08 -1.50 0.02 0.00 0.00 176.95 175.00 1p1c s ILE 87 N 1.53 0.87 0.07 2.03 1.10 -0.90 0.41 121.20 126.30 1p1c s ILE 87 Ca 0.07 -0.27 -0.12 0.00 -0.51 0.00 0.00 60.65 59.81 1p1c s ILE 87 Cb -0.15 -0.86 -0.06 0.00 0.15 0.00 0.00 42.46 41.54 1p1c s ILE 87 CO 0.07 0.31 0.43 -0.63 -2.11 0.00 0.00 174.94 173.02 1p1c s ILE 88 N 1.15 5.03 -0.23 2.00 1.01 -0.64 -1.77 121.20 127.75 1p1c s ILE 88 Ca -0.06 0.64 -0.09 0.00 0.00 0.00 0.00 60.65 61.14 1p1c s ILE 88 Cb -0.14 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.74 1p1c s ILE 88 CO -0.01 0.37 0.50 -0.70 0.00 0.00 0.00 174.94 175.10 1p1c s GLU 89 N -1.66 0.43 0.14 2.79 2.56 -0.96 -1.02 118.70 120.98 1p1c s GLU 89 Ca 0.31 1.14 0.13 0.00 0.00 0.00 0.00 54.97 56.55 1p1c s GLU 89 Cb -0.15 0.43 -0.10 0.00 2.00 0.00 0.00 34.13 36.31 1p1c s GLU 89 CO 0.17 -0.22 1.13 0.00 -0.56 0.00 0.00 175.26 175.78 1p1c s ASN 91 N -6.28 6.94 0.02 0.00 3.84 -1.26 -4.39 114.94 113.80 1p1c s ASN 91 Ca 0.00 2.47 -0.25 0.00 0.21 0.00 0.00 52.86 55.29 1p1c s ASN 91 Cb 0.09 -2.63 -0.14 0.00 -0.55 0.00 0.00 41.25 38.02 1p1c s ASN 91 CO 0.79 -0.45 1.13 0.44 -2.79 0.00 0.00 177.10 176.23 1p1c h ASP 92 N 4.39 -0.76 -0.81 -4.21 3.32 -1.99 0.35 116.42 116.71 1p1c h ASP 92 Ca -0.47 0.03 0.12 0.00 0.02 0.00 0.00 57.03 56.73 1p1c h ASP 92 Cb 1.22 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.91 1p1c h ASP 92 CO 0.71 -0.44 0.53 1.23 -1.72 0.00 0.00 179.24 179.55 1p1c h GLY 93 N -1.10 1.00 1.48 2.75 0.00 -2.00 -0.95 103.07 104.25 1p1c h GLY 93 Ca -0.09 -0.27 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1p1c h GLY 93 CO 0.15 0.12 -0.76 -2.08 0.00 0.00 0.00 176.54 173.97 1p1c h VAL 94 N 0.64 1.35 -0.01 4.60 2.07 -1.96 -3.01 116.25 119.93 1p1c h VAL 94 Ca 0.39 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 1p1c h VAL 94 Cb 0.61 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1p1c h VAL 94 CO -0.15 0.64 0.00 0.15 0.02 0.00 0.00 177.57 178.23 1p1c h PHE 95 N 0.34 0.02 -0.55 1.57 3.04 0.39 -0.18 116.94 121.56 1p1c h PHE 95 Ca -0.04 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.01 1p1c h PHE 95 Cb 1.35 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.82 1p1c h PHE 95 CO 0.06 0.23 0.37 1.96 -2.02 0.00 0.00 178.31 178.91 1p1c h GLN 96 N -0.20 0.30 -0.05 1.11 4.20 -1.40 0.18 115.11 119.26 1p1c h GLN 96 Ca 0.00 -0.02 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 1p1c h GLN 96 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1p1c h GLN 96 CO -0.00 0.20 -0.71 -0.09 -0.67 0.00 0.00 178.83 177.56 1p1c h ARG 97 N 0.31 0.25 -0.16 1.46 2.43 -1.30 -3.11 114.38 114.26 1p1c h ARG 97 Ca 0.26 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 1p1c h ARG 97 Cb 0.59 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1p1c h ARG 97 CO -0.06 0.86 -0.39 1.25 -1.51 0.00 0.00 179.97 180.12 1p1c h LEU 98 N 0.17 0.62 -0.60 3.80 5.85 0.11 -2.81 115.31 122.45 1p1c h LEU 98 Ca -0.02 -0.58 0.09 0.00 0.84 0.00 0.00 57.88 58.21 1p1c h LEU 98 Cb 1.27 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1p1c h LEU 98 CO 0.11 1.08 0.21 1.56 -0.34 0.00 0.00 178.44 181.07 1p1c h GLN 99 N 0.18 0.37 -0.37 1.25 4.20 -0.89 0.20 115.11 120.06 1p1c h GLN 99 Ca -0.00 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 1p1c h GLN 99 Cb 1.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1p1c h GLN 99 CO 0.09 0.25 -0.23 -0.97 -0.67 0.00 0.00 178.83 177.29 1p1c h ASN 100 N 0.39 0.74 0.06 1.46 -1.24 -1.57 -3.02 115.58 112.40 1p1c h ASN 100 Ca 0.30 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 1p1c h ASN 100 Cb 0.38 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.23 1p1c h ASN 100 CO -0.31 0.95 -0.03 -0.25 -1.29 0.00 0.00 177.43 176.50 1p1c h TRP 101 N 0.64 -0.08 -1.19 0.67 7.01 -0.99 -2.76 115.95 119.24 1p1c h TRP 101 Ca 0.09 -0.00 0.36 0.00 2.11 0.00 0.00 58.89 61.44 1p1c h TRP 101 Cb 0.73 0.03 -0.11 0.00 -2.10 0.00 0.00 29.16 27.70 1p1c h TRP 101 CO 0.04 0.05 0.77 0.00 -2.79 0.00 0.00 178.44 176.51 1p1c h ALA 102 N 0.74 2.54 -0.52 2.65 0.00 -0.51 -0.90 119.26 123.25 1p1c h ALA 102 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p1c h ALA 102 Cb 0.16 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1p1c h ALA 102 CO 0.01 -1.06 0.33 -0.07 0.00 0.00 0.00 179.25 178.47 1p1c h LEU 103 N 0.22 0.61 -0.63 0.00 -0.00 -1.46 -2.53 115.31 111.51 1p1c h LEU 103 Ca 0.71 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.56 1p1c h LEU 103 Cb 2.09 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 42.60 1p1c h LEU 103 CO -0.34 0.46 0.00 0.29 -0.00 0.00 0.00 178.44 178.85 1p1c n LYS 104 N -4.71 1.42 -2.53 1.13 5.02 -0.36 -4.91 118.16 113.23 1p1c n LYS 104 Ca 0.03 -0.63 -0.42 0.00 -2.02 0.00 0.00 58.31 55.27 1p1c n LYS 104 Cb 0.03 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1p1c n LYS 104 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1p1c s GLN 105 N -1.89 4.49 0.44 1.97 -1.52 -0.95 -4.94 119.66 117.25 1p1c s GLN 105 Ca 0.32 1.65 0.30 0.00 -1.95 0.00 0.00 55.36 55.68 1p1c s GLN 105 Cb 0.16 -3.38 1.43 0.00 -0.22 0.00 0.00 33.01 31.00 1p1c s GLN 105 CO 0.25 -0.16 1.91 -1.00 -0.25 0.00 0.00 175.29 176.05 1p1c h PRO 106 N 6.66 0.00 -4.87 2.91 0.13 -1.88 -3.41 132.00 131.54 1p1c h PRO 106 Ca -0.42 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 1p1c h PRO 106 Cb 1.22 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.02 1p1c h PRO 106 CO 0.78 0.00 -0.84 -1.01 -0.23 0.00 0.00 178.00 176.71 1p1c s HIS 107 N -3.63 1.79 -0.23 1.56 3.76 -1.26 -5.08 115.29 112.19 1p1c s HIS 107 Ca 0.00 -0.67 -0.39 0.00 -0.15 0.00 0.00 55.06 53.85 1p1c s HIS 107 Cb 0.09 -1.25 -0.15 0.00 1.11 0.00 0.00 32.58 32.38 1p1c s HIS 107 CO 0.40 -0.30 1.72 1.17 -0.85 0.00 0.00 174.74 176.88 1p1c n LYS 108 N 3.64 1.23 -4.91 1.40 4.81 -1.25 -4.64 118.16 118.44 1p1c n LYS 108 Ca -0.21 0.45 -0.33 0.00 -0.87 0.00 0.00 58.31 57.35 1p1c n LYS 108 Cb 0.52 -2.14 -0.15 0.00 0.02 0.00 0.00 35.03 33.28 1p1c n LYS 108 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1p1c s VAL 109 N 3.33 2.78 -0.30 3.15 0.11 -1.26 -0.77 120.40 127.45 1p1c s VAL 109 Ca 0.97 -0.76 -0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1p1c s VAL 109 Cb -1.03 -2.14 0.04 0.00 -1.53 0.00 0.00 36.38 31.72 1p1c s VAL 109 CO 0.63 0.54 0.01 0.54 -3.33 0.00 0.00 175.10 173.49 1p1c s VAL 110 N 0.25 3.11 -0.12 2.04 0.11 0.94 -4.93 120.40 121.80 1p1c s VAL 110 Ca -0.11 -1.28 -0.18 0.00 -2.93 0.00 0.00 61.98 57.47 1p1c s VAL 110 Cb -0.16 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 31.89 1p1c s VAL 110 CO 0.06 -0.07 0.49 -2.16 -3.33 0.00 0.00 175.10 170.08 1p1c s PRO 111 N 1.29 4.33 -0.21 1.54 0.04 -1.26 -2.12 135.00 138.61 1p1c s PRO 111 Ca -0.04 0.46 -0.03 0.00 0.04 0.00 0.00 61.00 61.43 1p1c s PRO 111 Cb -0.19 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.89 1p1c s PRO 111 CO -0.01 0.13 -0.05 -0.51 0.04 0.00 0.00 177.00 176.60 1p1c s LEU 112 N 0.70 2.85 -0.02 -3.56 2.01 -0.73 -4.97 118.68 114.96 1p1c s LEU 112 Ca 0.26 -0.40 -0.21 0.00 0.01 0.00 0.00 54.13 53.79 1p1c s LEU 112 Cb -0.15 -1.72 -0.05 0.00 0.01 0.00 0.00 46.19 44.28 1p1c s LEU 112 CO 0.10 -0.01 0.61 -0.75 1.01 0.00 0.00 176.35 177.32 1p1c s LYS 113 N 1.41 4.34 0.00 1.70 2.20 -1.26 -2.27 119.74 125.87 1p1c s LYS 113 Ca 0.05 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1p1c s LYS 113 Cb -0.14 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1p1c s LYS 113 CO -0.03 0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.67 1p1c n GLY 114 N 2.59 0.76 3.81 5.54 0.00 -0.17 -4.93 105.19 112.78 1p1c n GLY 114 Ca -0.06 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 1p1c n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p1c s LEU 115 N 0.00 4.18 0.58 0.99 1.43 -1.26 -1.80 118.68 122.80 1p1c s LEU 115 Ca 0.00 1.65 0.34 0.00 -1.03 0.00 0.00 54.13 55.09 1p1c s LEU 115 Cb 0.00 -4.11 1.74 0.00 0.03 0.00 0.00 46.19 43.84 1p1c s LEU 115 CO 0.00 -0.16 2.15 4.11 0.23 0.00 0.00 176.35 182.68 1p1c h TRP 116 N 2.71 0.00 -0.38 0.29 5.08 -1.96 0.13 115.95 121.82 1p1c h TRP 116 Ca -0.48 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.52 1p1c h TRP 116 Cb 1.19 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.33 1p1c h TRP 116 CO 0.62 0.05 0.25 0.93 -1.28 0.00 0.00 178.44 179.01 1p1c h GLU 117 N 0.00 0.41 0.00 0.12 3.07 -2.00 0.57 114.58 116.75 1p1c h GLU 117 Ca -0.00 -0.02 -0.25 0.00 -0.50 0.00 0.00 59.36 58.58 1p1c h GLU 117 Cb 0.27 -0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 1p1c h GLU 117 CO 0.01 0.27 -1.95 0.39 -1.40 0.00 0.00 179.01 176.32 1p1c n GLU 118 N -4.48 1.19 0.03 2.33 1.02 -0.56 -4.54 120.64 115.63 1p1c n GLU 118 Ca 0.03 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1p1c n GLU 118 Cb 0.13 -1.35 -0.09 0.00 -0.02 0.00 0.00 31.44 30.12 1p1c n GLU 118 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1p1c h VAL 119 N 0.00 1.09 -0.85 2.62 2.07 -0.74 -3.31 116.25 117.12 1p1c h VAL 119 Ca -0.38 -1.15 0.22 0.00 0.82 0.00 0.00 66.70 66.22 1p1c h VAL 119 Cb 1.73 1.77 -0.13 0.00 -1.52 0.00 0.00 31.29 33.13 1p1c h VAL 119 CO -0.02 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.07 1p1c h ALA 120 N 0.02 1.22 0.00 1.67 0.00 -1.08 0.25 119.26 121.35 1p1c h ALA 120 Ca -0.02 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1p1c h ALA 120 Cb 0.54 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1p1c h ALA 120 CO 0.03 -0.43 0.10 -1.35 0.00 0.00 0.00 179.25 177.59 1p1c h PRO 121 N 0.23 0.00 -0.01 0.00 0.11 -1.73 0.13 132.00 130.73 1p1c h PRO 121 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1p1c h PRO 121 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1p1c h PRO 121 CO -0.62 0.00 -0.13 0.25 -0.21 0.00 0.00 178.00 177.29 1p1c n THR 122 N -2.64 0.00 -3.58 -1.15 -2.24 0.89 -4.82 114.28 100.75 1p1c n THR 122 Ca -0.02 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.24 1p1c n THR 122 Cb 0.15 0.33 -0.07 0.00 -2.10 0.00 0.00 70.33 68.64 1p1c n THR 122 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p1c s LEU 123 N -2.29 4.28 0.59 3.22 1.02 0.45 -5.08 118.68 120.86 1p1c s LEU 123 Ca 0.31 0.54 -0.14 0.00 0.02 0.00 0.00 54.13 54.86 1p1c s LEU 123 Cb 0.20 -2.35 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 1p1c s LEU 123 CO 0.44 0.16 1.03 -2.16 0.02 0.00 0.00 176.35 175.84 1p1c s PRO 124 N 0.13 3.54 0.86 1.29 0.04 -1.26 -5.00 135.00 134.60 1p1c s PRO 124 Ca 0.17 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1p1c s PRO 124 Cb -0.13 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.44 1p1c s PRO 124 CO 0.05 -0.62 1.12 -0.25 0.04 0.00 0.00 177.00 177.34 1p1c n ASP 125 N -2.25 0.53 -4.44 6.66 10.43 -1.26 -3.23 116.55 122.98 1p1c n ASP 125 Ca 0.07 0.51 -0.39 0.00 2.57 0.00 0.00 54.79 57.55 1p1c n ASP 125 Cb 0.54 -1.47 -0.08 0.00 1.84 0.00 0.00 41.12 41.95 1p1c n ASP 125 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1p1c n GLY 126 N 0.54 -0.34 0.01 0.44 0.00 -0.33 -4.82 105.19 100.69 1p1c n GLY 126 Ca 0.12 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1p1c n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1p1c n HIS 127 N -4.23 0.05 -4.54 1.61 -0.00 -0.19 -4.59 115.22 103.33 1p1c n HIS 127 Ca -0.00 0.02 -0.30 0.00 0.46 0.00 0.00 57.72 57.89 1p1c n HIS 127 Cb 0.52 -0.50 -0.13 0.00 -0.12 0.00 0.00 29.99 29.77 1p1c n HIS 127 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1p1c s PHE 128 N -3.48 2.48 -0.11 1.57 0.08 -0.24 -4.77 117.98 113.51 1p1c s PHE 128 Ca -0.07 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 1p1c s PHE 128 Cb 0.14 -1.39 -0.26 0.00 -0.57 0.00 0.00 43.02 40.94 1p1c s PHE 128 CO 0.90 0.29 0.46 -0.44 -0.10 0.00 0.00 175.22 176.33 1p1c h ASP 129 N 4.22 0.39 -4.44 1.36 5.19 -1.05 0.26 116.42 122.35 1p1c h ASP 129 Ca -0.49 -0.87 -0.21 0.00 -0.62 0.00 0.00 57.03 54.84 1p1c h ASP 129 Cb 1.16 -0.13 -0.24 0.00 0.18 0.00 0.00 39.33 40.30 1p1c h ASP 129 CO 0.45 1.74 -0.71 -0.83 -3.12 0.00 0.00 179.24 176.77 1p1c s GLY 130 N -5.24 0.17 -0.03 2.75 0.00 -1.22 -0.37 107.32 103.38 1p1c s GLY 130 Ca -0.21 -0.36 0.05 0.00 0.00 0.00 0.00 44.72 44.19 1p1c s GLY 130 CO 0.76 -0.40 -0.17 -0.42 0.00 0.00 0.00 173.10 172.87 1p1c s ILE 131 N -0.84 1.37 -0.22 0.90 1.01 -0.03 -0.19 121.20 123.20 1p1c s ILE 131 Ca -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1p1c s ILE 131 Cb -0.06 -1.16 0.05 0.00 0.01 0.00 0.00 42.46 41.30 1p1c s ILE 131 CO -0.00 0.39 -0.09 -0.22 0.00 0.00 0.00 174.94 175.02 1p1c s LEU 132 N -0.12 2.60 -0.41 2.97 2.96 0.32 -1.45 118.68 125.56 1p1c s LEU 132 Ca 0.00 -1.08 -0.05 0.00 -0.22 0.00 0.00 54.13 52.78 1p1c s LEU 132 Cb -0.10 -1.28 0.10 0.00 0.50 0.00 0.00 46.19 45.41 1p1c s LEU 132 CO 0.01 -0.18 0.21 -0.47 -1.32 0.00 0.00 176.35 174.60 1p1c s TYR 133 N 1.34 3.46 -0.41 5.38 6.14 -1.02 0.25 117.35 132.49 1p1c s TYR 133 Ca -0.04 -2.03 0.02 0.00 0.64 0.00 0.00 57.07 55.65 1p1c s TYR 133 Cb -0.18 -3.05 0.13 0.00 0.42 0.00 0.00 41.96 39.28 1p1c s TYR 133 CO -0.07 -0.92 0.21 0.34 0.64 0.00 0.00 175.55 175.75 1p1c s ASP 134 N 1.95 3.74 0.41 4.32 2.15 -0.61 -2.49 116.67 126.14 1p1c s ASP 134 Ca 0.05 -2.44 0.04 0.00 0.43 0.00 0.00 52.55 50.62 1p1c s ASP 134 Cb -0.23 -1.02 -0.02 0.00 -0.30 0.00 0.00 42.92 41.35 1p1c s ASP 134 CO -0.02 -0.30 0.13 -0.89 -0.17 0.00 0.00 175.17 173.93 1p1c s THR 135 N 0.59 0.59 0.21 1.71 2.01 -1.26 -4.05 115.64 115.44 1p1c s THR 135 Ca 0.16 -2.00 0.11 0.00 0.31 0.00 0.00 61.69 60.27 1p1c s THR 135 Cb -0.23 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1p1c s THR 135 CO -0.04 0.00 -0.21 -0.72 -0.69 0.00 0.00 174.62 172.96 1p1c s TYR 136 N -3.21 2.17 0.56 4.92 -0.00 -1.26 -4.90 117.35 115.64 1p1c s TYR 136 Ca 0.24 -0.38 -0.21 0.00 -0.00 0.00 0.00 57.07 56.72 1p1c s TYR 136 Cb 0.03 -1.04 -0.05 0.00 -0.00 0.00 0.00 41.96 40.90 1p1c s TYR 136 CO 0.15 0.52 1.25 -2.30 -0.00 0.00 0.00 175.55 175.16 1p1c n PRO 137 N 0.01 1.43 -0.09 -3.49 -0.02 -1.26 -4.91 135.00 126.68 1p1c n PRO 137 Ca -0.11 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.79 1p1c n PRO 137 Cb 0.57 -2.45 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1p1c n PRO 137 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1p1c n LEU 138 N -0.96 0.82 -4.47 2.45 4.32 -1.26 -4.99 117.00 112.91 1p1c n LEU 138 Ca 0.12 0.05 -0.23 0.00 -0.02 0.00 0.00 56.01 55.93 1p1c n LEU 138 Cb 0.45 0.11 -0.10 0.00 -1.62 0.00 0.00 43.42 42.25 1p1c n LEU 138 CO 0.52 0.58 -0.27 -0.55 -1.22 0.00 0.00 177.39 176.45 1p1c s SER 139 N -5.85 2.56 0.14 -1.43 0.15 -1.26 -5.02 113.70 102.99 1p1c s SER 139 Ca -0.14 -1.40 0.27 0.00 0.70 0.00 0.00 55.95 55.38 1p1c s SER 139 Cb 0.07 -0.07 0.96 0.00 -1.71 0.00 0.00 66.02 65.27 1p1c s SER 139 CO 0.78 -0.62 1.83 -1.84 1.20 0.00 0.00 173.24 174.60 1p1c n GLU 140 N -0.73 0.17 0.00 5.44 0.28 -1.26 -3.01 120.64 121.52 1p1c n GLU 140 Ca -0.03 0.14 0.13 0.00 -0.16 0.00 0.00 57.16 57.25 1p1c n GLU 140 Cb 0.67 -1.70 0.47 0.00 1.43 0.00 0.00 31.44 32.31 1p1c n GLU 140 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1p1c n GLU 141 N -1.99 0.49 -0.05 3.44 -0.58 -1.26 -3.57 120.64 117.12 1p1c n GLU 141 Ca 0.06 -0.21 0.02 0.00 -0.42 0.00 0.00 57.16 56.61 1p1c n GLU 141 Cb 0.39 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.80 1p1c n GLU 141 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1p1c n THR 142 N -1.07 0.93 -0.32 2.62 -2.24 -1.16 -4.84 114.28 108.20 1p1c n THR 142 Ca 0.11 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1p1c n THR 142 Cb 0.31 0.44 0.07 0.00 -2.10 0.00 0.00 70.33 69.05 1p1c n THR 142 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1p1c h TRP 143 N 0.00 -0.78 -0.02 4.78 2.91 -1.59 -1.50 115.95 119.76 1p1c h TRP 143 Ca 0.00 0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1p1c h TRP 143 Cb 0.76 0.47 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 1p1c h TRP 143 CO 0.01 -0.39 -0.36 0.72 -1.03 0.00 0.00 178.44 177.38 1p1c n HIS 144 N -5.51 0.00 -0.16 2.65 8.25 -1.26 -4.58 115.22 114.61 1p1c n HIS 144 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1p1c n HIS 144 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1p1c n HIS 144 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1p1c n THR 145 N 0.10 0.00 0.19 1.59 -2.24 -0.95 -4.81 114.28 108.15 1p1c n THR 145 Ca 0.09 -0.34 0.18 0.00 -2.27 0.00 0.00 64.05 61.71 1p1c n THR 145 Cb 0.43 1.16 0.81 0.00 -2.10 0.00 0.00 70.33 70.63 1p1c n THR 145 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1p1c h HIS 146 N 0.00 0.00 0.00 4.78 2.07 -1.56 -0.01 115.15 120.43 1p1c h HIS 146 Ca 0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 1p1c h HIS 146 Cb 0.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.05 1p1c h HIS 146 CO 0.00 0.00 -0.39 -0.56 -3.07 0.00 0.00 177.93 173.91 1p1c h GLN 147 N 0.00 0.00 0.00 5.12 -0.00 -1.87 -3.23 115.11 115.13 1p1c h GLN 147 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 1p1c h GLN 147 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.22 1p1c h GLN 147 CO -0.00 0.39 0.00 0.74 -0.00 0.00 0.00 178.83 179.96 1p1c h PHE 148 N 0.00 0.00 0.17 0.06 0.05 -1.35 -1.92 116.94 113.96 1p1c h PHE 148 Ca -0.00 0.00 -0.34 0.00 3.82 0.00 0.00 57.97 61.44 1p1c h PHE 148 Cb 1.05 0.00 0.01 0.00 2.00 0.00 0.00 35.95 39.01 1p1c h PHE 148 CO 0.00 0.00 -1.73 -0.91 -0.18 0.00 0.00 178.31 175.49 1p1c h ASN 149 N 0.00 0.58 0.48 2.17 2.35 -1.67 -2.36 115.58 117.13 1p1c h ASN 149 Ca 0.00 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 54.79 1p1c h ASN 149 Cb 0.43 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1p1c h ASN 149 CO 0.00 1.78 -0.23 0.15 -1.65 0.00 0.00 177.43 177.48 1p1c h PHE 150 N 0.05 -0.60 0.01 1.19 3.57 -1.64 0.10 116.94 119.63 1p1c h PHE 150 Ca -0.35 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.17 1p1c h PHE 150 Cb 2.05 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.94 1p1c h PHE 150 CO 0.10 -0.34 -0.34 0.82 -2.23 0.00 0.00 178.31 176.33 1p1c h ILE 151 N -0.72 0.28 -0.35 1.41 2.04 -1.50 2.02 117.51 120.70 1p1c h ILE 151 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1p1c h ILE 151 Cb 0.53 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1p1c h ILE 151 CO 0.11 0.00 0.16 0.11 0.00 0.00 0.00 178.15 178.53 1p1c h LYS 152 N -0.50 0.50 0.00 2.37 1.57 -1.42 -2.23 116.57 116.86 1p1c h LYS 152 Ca 0.06 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 1p1c h LYS 152 Cb 0.58 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1p1c h LYS 152 CO -0.27 0.46 -1.19 1.15 -0.57 0.00 0.00 179.45 179.04 1p1c h THR 153 N 0.42 1.08 0.00 -0.16 2.02 -0.58 -3.44 112.91 112.26 1p1c h THR 153 Ca 0.12 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1p1c h THR 153 Cb 0.13 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1p1c h THR 153 CO -0.01 0.62 -0.59 1.41 0.37 0.00 0.00 175.52 177.31 1p1c n HIS 154 N -3.15 0.00 0.35 3.16 8.25 0.67 -4.78 115.22 119.73 1p1c n HIS 154 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 1p1c n HIS 154 Cb 0.92 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.94 1p1c n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1p1c h ALA 155 N 0.00 -1.20 -0.75 -1.41 0.00 -0.61 -1.44 119.26 113.84 1p1c h ALA 155 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1p1c h ALA 155 Cb 0.59 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1p1c h ALA 155 CO 0.00 -1.18 0.40 0.35 0.00 0.00 0.00 179.25 178.83 1p1c h PHE 156 N -1.01 0.72 -0.17 0.00 3.04 -1.72 -2.50 116.94 115.31 1p1c h PHE 156 Ca -0.08 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.75 1p1c h PHE 156 Cb 0.82 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 1p1c h PHE 156 CO -0.11 0.28 -0.51 0.07 -2.02 0.00 0.00 178.31 176.02 1p1c h ARG 157 N 0.68 0.47 0.00 1.11 0.11 -1.83 -3.29 114.38 111.62 1p1c h ARG 157 Ca 0.37 -0.28 -0.05 0.00 0.10 0.00 0.00 59.98 60.12 1p1c h ARG 157 Cb 0.36 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 1p1c h ARG 157 CO -0.26 0.87 -0.24 -0.07 0.10 0.00 0.00 179.97 180.37 1p1c h LEU 158 N 0.37 0.00 -9.66 0.08 4.07 -1.01 -0.87 115.31 108.29 1p1c h LEU 158 Ca 0.01 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.46 1p1c h LEU 158 Cb 1.02 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.76 1p1c h LEU 158 CO 0.09 0.24 0.44 -0.76 -1.08 0.00 0.00 178.44 177.37 1p1c s LEU 159 N -6.40 4.51 0.38 1.67 1.43 -0.96 -1.02 118.68 118.28 1p1c s LEU 159 Ca 0.04 2.03 -0.24 0.00 -1.03 0.00 0.00 54.13 54.93 1p1c s LEU 159 Cb 0.07 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1p1c s LEU 159 CO 0.69 -0.15 0.98 -0.54 0.23 0.00 0.00 176.35 177.55 1p1c s LYS 160 N -0.43 4.34 0.10 1.70 1.02 0.90 -4.23 119.74 123.14 1p1c s LYS 160 Ca 0.48 1.33 -0.36 0.00 0.02 0.00 0.00 55.97 57.44 1p1c s LYS 160 Cb -0.28 -2.54 -0.17 0.00 -0.52 0.00 0.00 37.83 34.33 1p1c s LYS 160 CO 0.34 0.05 1.25 -2.30 -0.92 0.00 0.00 175.35 173.77 1p1c n PRO 161 N 0.01 1.01 -0.62 -1.68 -0.02 -1.26 0.14 135.00 132.58 1p1c n PRO 161 Ca 0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1p1c n PRO 161 Cb 0.51 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1p1c n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1p1c n GLY 162 N 2.26 0.98 3.62 -1.23 0.00 0.17 -4.95 105.19 106.04 1p1c n GLY 162 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1p1c n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p1c s GLY 163 N -1.72 1.59 -0.07 -0.02 0.00 0.38 -4.53 107.32 102.95 1p1c s GLY 163 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1p1c s GLY 163 CO 0.00 0.53 -0.19 -1.50 0.00 0.00 0.00 173.10 171.95 1p1c s ILE 164 N -2.73 1.60 -0.22 0.90 1.10 0.51 -0.08 121.20 122.27 1p1c s ILE 164 Ca 0.66 -0.77 -0.02 0.00 -0.51 0.00 0.00 60.65 60.01 1p1c s ILE 164 Cb -0.21 -1.39 0.01 0.00 0.15 0.00 0.00 42.46 41.01 1p1c s ILE 164 CO 0.60 0.46 -0.09 -0.22 -2.11 0.00 0.00 174.94 173.57 1p1c s LEU 165 N 0.32 2.76 0.21 8.50 2.96 0.24 -0.85 118.68 132.81 1p1c s LEU 165 Ca -0.12 -0.60 0.11 0.00 -0.22 0.00 0.00 54.13 53.30 1p1c s LEU 165 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1p1c s LEU 165 CO 0.05 -0.04 -0.21 0.28 -1.32 0.00 0.00 176.35 175.10 1p1c s THR 166 N 1.38 2.21 0.11 3.68 -1.32 -0.53 -2.08 115.64 119.10 1p1c s THR 166 Ca 0.04 -2.09 -0.18 0.00 -1.21 0.00 0.00 61.69 58.25 1p1c s THR 166 Cb -0.15 -2.09 0.06 0.00 -1.51 0.00 0.00 72.50 68.82 1p1c s THR 166 CO -0.06 -0.25 0.86 0.00 -2.21 0.00 0.00 174.62 172.96 1p1c n TYR 167 N 0.05 -1.01 -3.54 9.09 4.11 -1.26 -2.42 117.16 122.18 1p1c n TYR 167 Ca -0.11 -0.92 -0.10 0.00 -0.00 0.00 0.00 57.90 56.77 1p1c n TYR 167 Cb 0.57 0.44 -0.04 0.00 -0.00 0.00 0.00 39.34 40.32 1p1c n TYR 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1p1c s ASN 169 N -1.75 2.58 0.29 0.00 3.84 -1.26 -4.52 114.94 114.12 1p1c s ASN 169 Ca 0.01 -2.66 0.08 0.00 0.21 0.00 0.00 52.86 50.50 1p1c s ASN 169 Cb -0.01 -0.56 0.42 0.00 -0.55 0.00 0.00 41.25 40.55 1p1c s ASN 169 CO -0.03 -0.24 1.67 -0.07 -2.79 0.00 0.00 177.10 175.64 1p1c h LEU 170 N 6.38 0.17 -0.50 3.21 -0.00 -1.98 -1.89 115.31 120.71 1p1c h LEU 170 Ca 0.13 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.88 57.86 1p1c h LEU 170 Cb 0.93 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 1p1c h LEU 170 CO 0.36 0.64 0.03 0.74 -0.00 0.00 0.00 178.44 180.20 1p1c h THR 171 N 0.12 1.26 -0.01 0.22 2.02 -1.94 0.10 112.91 114.68 1p1c h THR 171 Ca 0.00 -1.03 -0.24 0.00 0.77 0.00 0.00 66.41 65.92 1p1c h THR 171 Cb 0.92 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1p1c h THR 171 CO 0.07 0.36 -0.96 -1.28 0.37 0.00 0.00 175.52 174.08 1p1c h SER 172 N 0.73 0.71 0.19 4.18 0.87 -1.78 -3.18 113.55 115.27 1p1c h SER 172 Ca 0.14 -0.56 -0.22 0.00 -1.23 0.00 0.00 61.79 59.93 1p1c h SER 172 Cb 0.47 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1p1c h SER 172 CO 0.02 1.36 -0.87 -0.50 -0.53 0.00 0.00 176.83 176.30 1p1c h TRP 173 N 0.32 0.73 0.00 2.24 6.55 -1.30 -0.96 115.95 123.53 1p1c h TRP 173 Ca -0.10 -0.37 -0.00 0.00 0.95 0.00 0.00 58.89 59.37 1p1c h TRP 173 Cb 1.60 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 29.81 1p1c h TRP 173 CO 0.08 1.17 -0.01 0.78 -1.05 0.00 0.00 178.44 179.41 1p1c h GLY 174 N 1.02 0.00 0.84 1.49 0.00 -1.06 0.16 103.07 105.51 1p1c h GLY 174 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.00 1p1c h GLY 174 CO 0.16 0.00 -1.20 -2.09 0.00 0.00 0.00 176.54 173.41 1p1c h GLU 175 N 0.00 0.36 0.00 4.80 4.81 -1.47 -3.22 114.58 119.87 1p1c h GLU 175 Ca -0.00 -0.62 -0.06 0.00 -0.13 0.00 0.00 59.36 58.55 1p1c h GLU 175 Cb 0.02 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1p1c h GLU 175 CO 0.00 1.30 -0.28 -0.07 -0.73 0.00 0.00 179.01 179.23 1p1c h LEU 176 N -0.18 0.00 0.00 1.64 3.38 -0.75 0.16 115.31 119.55 1p1c h LEU 176 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1p1c h LEU 176 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1p1c h LEU 176 CO 0.17 0.28 -0.03 0.24 0.09 0.00 0.00 178.44 179.19 1p1c h MET 177 N 0.00 0.00 0.00 1.13 2.86 -1.08 0.77 114.93 118.61 1p1c h MET 177 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1p1c h MET 177 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.29 1p1c h MET 177 CO 0.04 0.00 -0.57 0.87 1.06 0.00 0.00 176.91 178.31 1p1c h LYS 178 N 0.00 0.00 0.23 1.72 1.57 -1.42 -3.40 116.57 115.27 1p1c h LYS 178 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1p1c h LYS 178 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1p1c h LYS 178 CO 0.00 0.10 -0.11 0.77 -0.57 0.00 0.00 179.45 179.64 1p1c h SER 179 N -1.00 -0.27 0.00 0.86 0.02 -0.80 -3.43 113.55 108.93 1p1c h SER 179 Ca -0.04 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1p1c h SER 179 Cb 0.57 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 1p1c h SER 179 CO -0.02 0.09 -1.21 0.29 -1.14 0.00 0.00 176.83 174.84 1p1c n LYS 180 N -5.08 1.01 -4.20 3.45 5.02 0.06 -5.05 118.16 113.37 1p1c n LYS 180 Ca -0.09 -0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.98 1p1c n LYS 180 Cb 0.24 -1.10 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 1p1c n LYS 180 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1p1c s TYR 181 N -2.24 1.31 -0.06 2.13 1.51 0.25 -5.00 117.35 115.25 1p1c s TYR 181 Ca -0.02 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.60 1p1c s TYR 181 Cb 0.02 -0.74 0.00 0.00 -0.11 0.00 0.00 41.96 41.14 1p1c s TYR 181 CO 0.17 0.08 0.46 0.25 -1.11 0.00 0.00 175.55 175.40 1p1c n THR 182 N 1.29 0.00 -3.93 -0.71 -2.24 -1.26 -4.39 114.28 103.04 1p1c n THR 182 Ca -0.21 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 1p1c n THR 182 Cb 0.54 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 1p1c n THR 182 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p1c s ASP 183 N -0.15 2.89 0.50 3.42 3.68 -1.26 -5.02 116.67 120.72 1p1c s ASP 183 Ca 0.01 -0.66 0.28 0.00 2.13 0.00 0.00 52.55 54.30 1p1c s ASP 183 Cb 0.00 -1.02 1.29 0.00 -1.45 0.00 0.00 42.92 41.75 1p1c s ASP 183 CO 0.01 -0.15 1.99 -0.29 0.13 0.00 0.00 175.17 176.85 1p1c h ILE 184 N 6.32 0.48 0.00 4.11 2.10 -1.98 -1.89 117.51 126.65 1p1c h ILE 184 Ca -0.27 -0.73 -0.08 0.00 1.08 0.00 0.00 64.86 64.85 1p1c h ILE 184 Cb 1.11 1.50 -0.01 0.00 -1.09 0.00 0.00 36.82 38.33 1p1c h ILE 184 CO 0.44 0.14 -0.40 0.71 -1.08 0.00 0.00 178.15 177.95 1p1c h THR 185 N 0.00 0.70 -0.15 2.19 1.35 -1.99 -2.91 112.91 112.09 1p1c h THR 185 Ca -0.00 -1.97 -0.18 0.00 -0.55 0.00 0.00 66.41 63.71 1p1c h THR 185 Cb 0.49 2.33 0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1p1c h THR 185 CO 0.02 0.39 -0.61 0.00 -0.25 0.00 0.00 175.52 175.08 1p1c h ALA 186 N 1.60 0.27 0.10 6.62 0.00 -1.79 -2.13 119.26 123.93 1p1c h ALA 186 Ca -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.38 1p1c h ALA 186 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1p1c h ALA 186 CO 0.05 0.53 -0.14 1.98 0.00 0.00 0.00 179.25 181.67 1p1c h MET 187 N 0.35 -0.27 -0.32 0.00 -1.53 -1.47 -0.89 114.93 110.80 1p1c h MET 187 Ca -0.03 0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.29 1p1c h MET 187 Cb 1.24 0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 32.31 1p1c h MET 187 CO 0.13 -0.18 0.07 0.35 0.14 0.00 0.00 176.91 177.41 1p1c h PHE 188 N -0.29 0.12 -0.50 1.39 3.04 -1.52 0.23 116.94 119.41 1p1c h PHE 188 Ca 0.02 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 1p1c h PHE 188 Cb 0.29 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1p1c h PHE 188 CO -0.15 0.03 -0.05 1.49 -2.02 0.00 0.00 178.31 177.62 1p1c h GLU 189 N 0.19 0.88 0.02 1.11 4.57 -1.23 0.52 114.58 120.64 1p1c h GLU 189 Ca 0.15 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 1p1c h GLU 189 Cb 0.16 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1p1c h GLU 189 CO -0.19 0.91 -0.37 0.93 -1.18 0.00 0.00 179.01 179.10 1p1c h GLU 190 N 0.80 0.22 0.01 1.92 5.08 -0.84 -3.36 114.58 118.41 1p1c h GLU 190 Ca 0.14 -0.26 -0.32 0.00 -1.00 0.00 0.00 59.36 57.92 1p1c h GLU 190 Cb 0.55 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1p1c h GLU 190 CO 0.03 1.01 -1.97 0.25 -1.00 0.00 0.00 179.01 177.33 1p1c n THR 191 N -4.41 1.55 -0.12 1.13 -2.24 0.77 -4.69 114.28 106.27 1p1c n THR 191 Ca -0.10 -0.80 -0.23 0.00 -2.27 0.00 0.00 64.05 60.65 1p1c n THR 191 Cb 0.58 -0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 1p1c n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p1c n GLN 192 N -2.99 0.57 -0.05 -0.78 1.13 0.17 -4.61 117.38 110.82 1p1c n GLN 192 Ca -0.24 0.31 0.10 0.00 -1.94 0.00 0.00 57.00 55.23 1p1c n GLN 192 Cb 1.08 -1.52 0.49 0.00 0.11 0.00 0.00 30.24 30.40 1p1c n GLN 192 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 1p1c h VAL 193 N -1.00 0.94 -0.41 5.09 -1.51 -1.43 -2.48 116.25 115.46 1p1c h VAL 193 Ca -0.47 -0.14 0.01 0.00 -1.23 0.00 0.00 66.70 64.87 1p1c h VAL 193 Cb 1.38 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1p1c h VAL 193 CO -0.28 0.08 0.25 -0.65 -1.23 0.00 0.00 177.57 175.73 1p1c h PRO 194 N 0.42 0.50 -0.78 5.19 0.11 -1.83 0.30 132.00 135.91 1p1c h PRO 194 Ca 0.24 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1p1c h PRO 194 Cb 0.39 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1p1c h PRO 194 CO -0.06 0.33 0.31 0.00 -0.21 0.00 0.00 178.00 178.36 1p1c h ALA 195 N 1.17 1.07 -0.76 -0.75 0.00 -1.72 -0.31 119.26 117.95 1p1c h ALA 195 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1p1c h ALA 195 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1p1c h ALA 195 CO -0.06 0.66 0.34 -0.07 0.00 0.00 0.00 179.25 180.12 1p1c h LEU 196 N 1.13 1.02 -0.68 0.00 4.07 -0.93 0.98 115.31 120.91 1p1c h LEU 196 Ca 0.26 -0.15 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 1p1c h LEU 196 Cb 0.22 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1p1c h LEU 196 CO -0.02 0.89 -0.01 -0.07 -1.08 0.00 0.00 178.44 178.14 1p1c h LEU 197 N 1.09 0.99 -1.31 1.67 4.07 -0.01 -2.11 115.31 119.70 1p1c h LEU 197 Ca 0.26 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1p1c h LEU 197 Cb 0.16 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 1p1c h LEU 197 CO -0.03 1.05 0.29 -0.33 -1.08 0.00 0.00 178.44 178.34 1p1c h GLU 198 N 0.93 0.75 0.00 1.13 5.08 -0.28 -0.76 114.58 121.43 1p1c h GLU 198 Ca 0.16 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1p1c h GLU 198 Cb 0.55 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1p1c h GLU 198 CO 0.03 0.57 -0.12 0.00 -1.00 0.00 0.00 179.01 178.49 1p1c h ALA 199 N 1.56 1.31 0.00 3.43 0.00 -0.15 -3.46 119.26 121.94 1p1c h ALA 199 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1p1c h ALA 199 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p1c h ALA 199 CO -0.03 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1p1c n GLY 200 N -0.71 1.18 3.81 0.00 0.00 -0.29 -4.84 105.19 104.35 1p1c n GLY 200 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1p1c n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p1c s PHE 201 N -1.05 3.07 -0.08 1.61 0.40 -1.13 -5.00 117.98 115.81 1p1c s PHE 201 Ca 0.00 1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 57.76 1p1c s PHE 201 Cb 0.00 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 1p1c s PHE 201 CO 0.00 -1.11 0.10 -0.65 0.70 0.00 0.00 175.22 174.27 1p1c s GLN 202 N -4.46 3.27 0.45 0.44 1.11 -1.26 -4.31 119.66 114.90 1p1c s GLN 202 Ca 0.61 -0.28 0.33 0.00 0.01 0.00 0.00 55.36 56.02 1p1c s GLN 202 Cb -0.15 -3.03 1.47 0.00 -1.01 0.00 0.00 33.01 30.29 1p1c s GLN 202 CO 0.44 0.72 1.62 -0.09 0.01 0.00 0.00 175.29 177.99 1p1c h ARG 203 N 4.70 0.07 0.00 2.91 9.65 -1.96 2.25 114.38 132.00 1p1c h ARG 203 Ca -0.52 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.33 1p1c h ARG 203 Cb 1.21 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1p1c h ARG 203 CO 0.59 0.04 -0.09 1.05 2.80 0.00 0.00 179.97 184.36 1p1c h GLU 204 N 0.07 0.00 0.00 0.20 4.11 -2.01 -2.08 114.58 114.86 1p1c h GLU 204 Ca 0.83 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.26 1p1c h GLU 204 Cb 2.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.96 1p1c h GLU 204 CO -0.37 0.09 0.00 -0.91 0.07 0.00 0.00 179.01 177.89 1p1c h ASN 205 N 0.00 0.00 -3.36 3.06 -0.26 0.35 -3.45 115.58 111.91 1p1c h ASN 205 Ca -0.00 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 55.11 1p1c h ASN 205 Cb 0.30 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.38 1p1c h ASN 205 CO 0.01 0.00 -0.60 0.27 -1.06 0.00 0.00 177.43 176.05 1p1c s ILE 206 N -3.22 4.50 0.24 2.81 -5.25 -0.78 -2.17 121.20 117.33 1p1c s ILE 206 Ca 0.08 -0.13 0.03 0.00 -0.99 0.00 0.00 60.65 59.63 1p1c s ILE 206 Cb 0.08 -3.03 -0.05 0.00 2.95 0.00 0.00 42.46 42.41 1p1c s ILE 206 CO 0.62 0.44 0.02 0.00 -1.79 0.00 0.00 174.94 174.23 1p1c s THR 208 N -3.50 0.19 -0.12 0.00 -4.23 -1.26 0.78 115.64 107.49 1p1c s THR 208 Ca 0.30 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1p1c s THR 208 Cb 0.06 -1.18 0.04 0.00 1.34 0.00 0.00 72.50 72.76 1p1c s THR 208 CO 0.10 -0.85 -0.01 -0.70 -0.54 0.00 0.00 174.62 172.61 1p1c s GLU 209 N -3.26 0.89 -0.19 3.99 2.12 -0.76 -4.92 118.70 116.58 1p1c s GLU 209 Ca 0.01 -0.18 -0.10 0.00 0.36 0.00 0.00 54.97 55.05 1p1c s GLU 209 Cb 0.03 -1.53 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 1p1c s GLU 209 CO -0.08 -0.41 0.16 0.08 -0.54 0.00 0.00 175.26 174.48 1p1c s VAL 210 N 1.85 5.40 0.02 3.70 1.01 -1.26 -0.10 120.40 131.01 1p1c s VAL 210 Ca 0.03 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.31 1p1c s VAL 210 Cb -0.14 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1p1c s VAL 210 CO -0.07 0.45 -0.14 0.00 0.00 0.00 0.00 175.10 175.33 1p1c s MET 211 N 0.26 1.04 -0.13 2.72 0.00 -0.72 -4.97 119.30 117.49 1p1c s MET 211 Ca 0.10 -0.67 -0.29 0.00 0.00 0.00 0.00 55.69 54.83 1p1c s MET 211 Cb -0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 34.83 33.67 1p1c s MET 211 CO -0.01 0.27 1.00 0.00 0.00 0.00 0.00 175.02 176.29 1p1c s ALA 212 N -0.65 3.46 -0.23 3.16 0.00 -1.26 -0.91 121.76 125.34 1p1c s ALA 212 Ca 0.03 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1p1c s ALA 212 Cb -0.07 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.72 1p1c s ALA 212 CO 0.01 -0.69 0.35 -1.17 0.00 0.00 0.00 175.76 174.25 1p1c s LEU 213 N 2.24 -0.53 -0.48 0.00 0.20 -0.75 -4.94 118.68 114.43 1p1c s LEU 213 Ca 0.47 0.24 -0.20 0.00 0.69 0.00 0.00 54.13 55.33 1p1c s LEU 213 Cb -0.18 0.99 0.04 0.00 -0.43 0.00 0.00 46.19 46.62 1p1c s LEU 213 CO 0.15 -0.29 0.64 -0.69 -0.29 0.00 0.00 176.35 175.87 1p1c s VAL 214 N 2.51 4.84 0.82 1.68 1.01 -1.26 -3.38 120.40 126.61 1p1c s VAL 214 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1p1c s VAL 214 Cb -0.15 -4.27 0.09 0.00 0.00 0.00 0.00 36.38 32.05 1p1c s VAL 214 CO -0.14 -0.73 1.15 -2.16 0.00 0.00 0.00 175.10 173.21 1p1c s PRO 215 N 2.74 1.69 0.97 2.72 0.04 -1.26 -4.98 135.00 136.92 1p1c s PRO 215 Ca 0.18 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1p1c s PRO 215 Cb -0.17 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.74 1p1c s PRO 215 CO 0.15 -2.13 1.09 -1.25 0.04 0.00 0.00 177.00 174.90 1p1c s PRO 216 N -4.48 0.62 0.48 0.56 0.04 -1.26 -4.88 135.00 126.08 1p1c s PRO 216 Ca 0.68 1.10 0.20 0.00 0.04 0.00 0.00 61.00 63.01 1p1c s PRO 216 Cb -0.23 -1.71 1.21 0.00 0.04 0.00 0.00 34.50 33.80 1p1c s PRO 216 CO 0.53 -2.76 2.03 0.00 0.04 0.00 0.00 177.00 176.85 1p1c h ALA 217 N -1.94 1.54 -0.73 8.56 0.00 -1.96 -2.75 119.26 121.99 1p1c h ALA 217 Ca -0.50 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.06 1p1c h ALA 217 Cb 1.29 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1p1c h ALA 217 CO 0.49 0.19 0.26 -0.40 0.00 0.00 0.00 179.25 179.79 1p1c n ASP 218 N -4.05 4.83 -4.66 0.00 3.85 -1.26 -4.90 116.55 110.36 1p1c n ASP 218 Ca -0.02 -3.23 -0.43 0.00 -0.71 0.00 0.00 54.79 50.40 1p1c n ASP 218 Cb 0.23 -0.74 -0.02 0.00 -1.35 0.00 0.00 41.12 39.24 1p1c n ASP 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1p1c h ARG 220 N 8.07 0.00 0.00 0.00 3.08 -1.92 -3.37 114.38 120.25 1p1c h ARG 220 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1p1c h ARG 220 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1p1c h ARG 220 CO 0.97 0.00 -1.20 2.48 -1.07 0.00 0.00 179.97 181.16 1p1c n TYR 221 N -2.63 0.00 -4.50 3.04 4.11 -1.26 -5.02 117.16 110.90 1p1c n TYR 221 Ca 0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.65 1p1c n TYR 221 Cb 0.43 -0.12 -0.17 0.00 -0.00 0.00 0.00 39.34 39.48 1p1c n TYR 221 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1p1c s TYR 222 N -2.17 2.06 0.00 -3.48 6.14 -1.26 -3.84 117.35 114.80 1p1c s TYR 222 Ca -0.01 -0.98 0.00 0.00 0.64 0.00 0.00 57.07 56.72 1p1c s TYR 222 Cb 0.02 -1.47 0.00 0.00 0.42 0.00 0.00 41.96 40.92 1p1c s TYR 222 CO 0.14 -0.49 0.14 0.00 0.64 0.00 0.00 175.55 175.99 1p1c n ALA 223 N 4.17 1.61 -2.49 3.97 0.00 -1.26 -4.65 120.51 121.86 1p1c n ALA 223 Ca -0.19 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1p1c n ALA 223 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 1p1c n ALA 223 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1p1c s PHE 224 N -0.45 3.73 -0.98 0.00 5.36 -1.26 -4.84 117.98 119.54 1p1c s PHE 224 Ca 0.00 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 1p1c s PHE 224 Cb 0.00 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.64 1p1c s PHE 224 CO 0.00 0.12 0.36 -0.35 -1.46 0.00 0.00 175.22 173.89 1p1c n PRO 225 N 3.31 0.71 -3.79 10.12 -0.04 -1.26 -4.55 135.00 139.50 1p1c n PRO 225 Ca 0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1p1c n PRO 225 Cb 0.50 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 1p1c n PRO 225 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1p1c s GLN 226 N -0.98 0.64 0.26 0.54 -0.21 -1.22 -1.81 119.66 116.89 1p1c s GLN 226 Ca 0.00 -0.30 0.11 0.00 0.02 0.00 0.00 55.36 55.19 1p1c s GLN 226 Cb 0.00 0.28 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 1p1c s GLN 226 CO 0.00 -0.18 -0.17 -1.64 -2.12 0.00 0.00 175.29 171.19 1p1c s MET 227 N -1.54 1.78 -0.05 2.91 -1.94 -0.08 -4.86 119.30 115.51 1p1c s MET 227 Ca -0.13 -1.66 0.01 0.00 -1.71 0.00 0.00 55.69 52.21 1p1c s MET 227 Cb -0.05 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 34.95 1p1c s MET 227 CO 0.02 0.35 -0.07 -1.50 -0.01 0.00 0.00 175.02 173.81 1p1c s ILE 228 N -2.35 0.74 -0.38 2.53 2.07 -1.26 -1.76 121.20 120.79 1p1c s ILE 228 Ca 0.29 -0.24 -0.11 0.00 -1.41 0.00 0.00 60.65 59.18 1p1c s ILE 228 Cb -0.06 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.83 1p1c s ILE 228 CO 0.15 0.27 0.21 -0.89 -1.91 0.00 0.00 174.94 172.78 1p1c s THR 229 N 0.91 4.56 0.36 4.00 2.01 0.85 -4.90 115.64 123.44 1p1c s THR 229 Ca -0.11 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.70 1p1c s THR 229 Cb -0.15 -3.57 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 1p1c s THR 229 CO 0.01 -0.27 1.41 -2.84 -0.69 0.00 0.00 174.62 172.24 1p1c s PRO 230 N 1.55 4.19 -0.41 4.92 0.02 -1.26 -1.82 135.00 142.19 1p1c s PRO 230 Ca 0.02 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.47 1p1c s PRO 230 Cb -0.20 -2.99 0.13 0.00 0.02 0.00 0.00 34.50 31.46 1p1c s PRO 230 CO 0.06 -0.40 0.20 -0.51 -0.33 0.00 0.00 177.00 176.03 1p1c s LEU 231 N -2.00 2.52 -0.29 -5.54 1.43 0.23 -4.37 118.68 110.67 1p1c s LEU 231 Ca 0.52 -2.39 0.01 0.00 -1.03 0.00 0.00 54.13 51.24 1p1c s LEU 231 Cb -0.44 -0.97 0.06 0.00 0.03 0.00 0.00 46.19 44.88 1p1c s LEU 231 CO 0.59 -0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 176.13 1p1c s VAL 232 N 0.66 2.50 0.05 -1.59 1.01 -0.88 0.37 120.40 122.52 1p1c s VAL 232 Ca 0.16 -1.64 -0.06 0.00 0.00 0.00 0.00 61.98 60.44 1p1c s VAL 232 Cb -0.23 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1p1c s VAL 232 CO -0.04 -0.14 0.30 0.42 0.00 0.00 0.00 175.10 175.64 1p1c s THR 233 N 1.13 5.25 0.33 3.92 -4.23 -0.92 0.83 115.64 121.95 1p1c s THR 233 Ca -0.05 0.12 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 1p1c s THR 233 Cb -0.20 -3.60 -0.10 0.00 1.34 0.00 0.00 72.50 69.95 1p1c s THR 233 CO -0.04 0.26 0.96 -0.75 -0.54 0.00 0.00 174.62 174.51 1p1c s LYS 234 N -2.04 4.56 0.00 3.99 2.47 0.88 -4.82 119.74 124.78 1p1c s LYS 234 Ca 0.32 1.36 0.29 0.00 -1.56 0.00 0.00 55.97 56.37 1p1c s LYS 234 Cb -0.13 -2.79 1.17 0.00 -1.46 0.00 0.00 37.83 34.62 1p1c s LYS 234 CO 0.19 0.25 1.81 1.58 0.16 0.00 0.00 175.35 179.35