#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2x s GLN 1003N 0.00 0.41 -0.16 7.34 2.00 -0.82 -5.02 119.66 123.42 1f2x s GLN 1003Ca 0.00 0.16 0.01 0.00 -2.00 0.00 0.00 55.36 53.53 1f2x s GLN 1003Cb 0.00 -0.79 0.00 0.00 0.80 0.00 0.00 33.01 33.03 1f2x s GLN 1003CO 0.00 -0.28 -0.18 -0.51 -0.50 0.00 0.00 175.29 173.83 1f2x s LEU 1004N 1.84 2.33 -0.13 3.68 1.02 -1.26 -0.41 118.68 125.76 1f2x s LEU 1004Ca 0.02 -0.53 -0.00 0.00 0.02 0.00 0.00 54.13 53.64 1f2x s LEU 1004Cb -0.12 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.59 1f2x s LEU 1004CO -0.04 0.07 -0.08 0.68 0.02 0.00 0.00 176.35 177.00 1f2x s VAL 1005N 0.89 1.13 0.26 -1.59 -7.23 -0.81 -4.25 120.40 108.80 1f2x s VAL 1005Ca -0.04 -0.39 -0.08 0.00 -1.81 0.00 0.00 61.98 59.66 1f2x s VAL 1005Cb -0.15 -1.15 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 1f2x s VAL 1005CO -0.02 0.35 0.56 -1.61 -0.31 0.00 0.00 175.10 174.07 1f2x s GLU 1006N 1.66 3.73 0.26 4.82 8.01 -1.26 -1.38 118.70 134.55 1f2x s GLU 1006Ca 0.04 0.18 -0.19 0.00 0.01 0.00 0.00 54.97 55.01 1f2x s GLU 1006Cb -0.13 -2.63 0.02 0.00 -4.31 0.00 0.00 34.13 27.08 1f2x s GLU 1006CO -0.09 0.25 0.64 -1.54 0.01 0.00 0.00 175.26 174.53 1f2x s SER 1007N -2.74 -0.23 0.00 -0.19 1.04 -0.77 -4.83 113.70 105.99 1f2x s SER 1007Ca 0.46 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1f2x s SER 1007Cb -0.11 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1f2x s SER 1007CO 0.25 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1f2x n GLY 1008N -0.43 0.62 3.62 7.32 0.00 -1.26 -1.34 105.19 113.71 1f2x n GLY 1008Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1f2x n GLY 1008CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1f2x s GLY 1009N -1.46 1.55 0.00 -0.02 0.00 -1.26 -4.53 107.32 101.60 1f2x s GLY 1009Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1f2x s GLY 1009CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.98 1f2x n GLY 1010N -0.63 -1.17 2.99 0.20 0.00 -0.70 -4.97 105.19 100.91 1f2x n GLY 1010Ca 0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1f2x n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f2x s SER 1011N -4.00 3.01 0.25 1.61 0.15 -1.26 -1.15 113.70 112.32 1f2x s SER 1011Ca 0.00 -0.68 0.01 0.00 0.70 0.00 0.00 55.95 55.98 1f2x s SER 1011Cb 0.00 -1.17 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 1f2x s SER 1011CO 0.00 -0.11 0.08 0.68 1.20 0.00 0.00 173.24 175.09 1f2x s VAL 1012N 1.46 0.61 0.44 4.45 -7.23 0.05 -4.99 120.40 115.19 1f2x s VAL 1012Ca 0.02 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1f2x s VAL 1012Cb -0.15 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 1f2x s VAL 1012CO -0.09 -0.07 0.78 -1.10 -0.31 0.00 0.00 175.10 174.31 1f2x s GLN 1013N -4.01 3.68 0.32 4.82 -0.21 -1.26 -0.61 119.66 122.39 1f2x s GLN 1013Ca 0.36 0.37 -0.28 0.00 0.02 0.00 0.00 55.36 55.83 1f2x s GLN 1013Cb 0.08 -2.38 -0.13 0.00 1.00 0.00 0.00 33.01 31.58 1f2x s GLN 1013CO 0.12 -0.12 1.27 0.00 -2.12 0.00 0.00 175.29 174.44 1f2x n ALA 1014N -1.71 1.08 0.00 6.09 0.00 0.19 -1.62 120.51 124.54 1f2x n ALA 1014Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1f2x n ALA 1014Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1f2x n ALA 1014CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f2x n GLY 1015N 0.97 2.34 0.79 0.00 0.00 0.15 -4.70 105.19 104.73 1f2x n GLY 1015Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1f2x n GLY 1015CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f2x n GLY 1016N -2.00 -1.25 3.19 -0.02 0.00 -0.64 -4.20 105.19 100.27 1f2x n GLY 1016Ca 0.00 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 1f2x n GLY 1016CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2x s SER 1017N -2.00 1.16 0.14 1.61 0.01 -1.26 -1.87 113.70 111.49 1f2x s SER 1017Ca 0.15 -1.05 -0.05 0.00 1.31 0.00 0.00 55.95 56.32 1f2x s SER 1017Cb -0.00 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 1f2x s SER 1017CO 0.11 -0.49 0.15 -0.76 0.41 0.00 0.00 173.24 172.66 1f2x s LEU 1018N -3.08 1.46 -0.17 2.44 1.43 -0.54 -5.02 118.68 115.21 1f2x s LEU 1018Ca 0.15 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 1f2x s LEU 1018Cb 0.05 0.69 0.05 0.00 0.03 0.00 0.00 46.19 47.02 1f2x s LEU 1018CO -0.03 -0.79 0.03 -0.60 0.23 0.00 0.00 176.35 175.19 1f2x s ARG 1019N -4.00 0.68 0.15 1.70 3.52 -1.26 -0.50 118.95 119.24 1f2x s ARG 1019Ca 0.19 -0.33 -0.13 0.00 -0.13 0.00 0.00 55.73 55.34 1f2x s ARG 1019Cb 0.06 -1.90 -0.07 0.00 -1.56 0.00 0.00 34.95 31.48 1f2x s ARG 1019CO -0.00 -0.57 0.53 -0.51 -0.81 0.00 0.00 175.30 173.94 1f2x s LEU 1020N 1.87 4.31 0.11 -0.88 1.43 0.28 -4.55 118.68 121.25 1f2x s LEU 1020Ca 0.00 1.01 0.10 0.00 -1.03 0.00 0.00 54.13 54.22 1f2x s LEU 1020Cb -0.16 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1f2x s LEU 1020CO -0.07 0.08 -0.25 -0.44 0.23 0.00 0.00 176.35 175.89 1f2x s SER 1021N -1.84 3.10 -0.18 2.29 0.01 -0.45 -1.07 113.70 115.56 1f2x s SER 1021Ca 0.39 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.91 1f2x s SER 1021Cb -0.14 -0.21 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1f2x s SER 1021CO 0.19 0.16 0.04 0.00 0.41 0.00 0.00 173.24 174.04 1f2x s ALA 1023N 1.91 3.57 -0.14 0.00 0.00 -0.48 -1.04 121.76 125.58 1f2x s ALA 1023Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 1f2x s ALA 1023Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1f2x s ALA 1023CO -0.08 -0.39 0.27 0.00 0.00 0.00 0.00 175.76 175.56 1f2x s ALA 1024N 1.45 3.65 -0.12 0.00 0.00 -0.72 -1.93 121.76 124.09 1f2x s ALA 1024Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.60 1f2x s ALA 1024Cb -0.15 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1f2x s ALA 1024CO 0.08 0.22 -0.21 -1.54 0.00 0.00 0.00 175.76 174.31 1f2x s SER 1025N 0.04 3.26 -0.50 0.00 1.04 0.45 -4.64 113.70 113.35 1f2x s SER 1025Ca 0.16 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 1f2x s SER 1025Cb -0.13 -1.46 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1f2x s SER 1025CO 0.05 0.12 0.13 0.61 0.98 0.00 0.00 173.24 175.13 1f2x n GLY 1026N 3.79 0.25 3.54 7.32 0.00 -1.26 -1.94 105.19 116.89 1f2x n GLY 1026Ca -0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 1f2x n GLY 1026CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1f2x s TYR 1027N -2.60 -0.96 -0.18 1.61 5.04 -1.26 -4.74 117.35 114.25 1f2x s TYR 1027Ca 0.07 1.71 -0.24 0.00 -2.44 0.00 0.00 57.07 56.16 1f2x s TYR 1027Cb -0.03 0.58 -0.02 0.00 0.35 0.00 0.00 41.96 42.84 1f2x s TYR 1027CO 0.08 -0.48 0.78 -0.08 -1.34 0.00 0.00 175.55 174.51 1f2x s THR 1028N 2.44 4.91 0.09 4.34 -1.32 -1.26 -4.81 115.64 120.03 1f2x s THR 1028Ca -0.05 1.50 0.24 0.00 -1.21 0.00 0.00 61.69 62.17 1f2x s THR 1028Cb -0.08 -4.08 0.23 0.00 -1.51 0.00 0.00 72.50 67.06 1f2x s THR 1028CO -0.18 0.04 1.80 -0.37 -2.21 0.00 0.00 174.62 173.69 1f2x h VAL 1029N 5.21 0.53 0.00 5.08 -1.51 -1.94 -3.30 116.25 120.33 1f2x h VAL 1029Ca -0.29 -1.17 -0.06 0.00 -1.23 0.00 0.00 66.70 63.94 1f2x h VAL 1029Cb 1.13 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.10 1f2x h VAL 1029CO 0.82 0.22 -0.30 0.77 -1.23 0.00 0.00 177.57 177.85 1f2x h SER 1030N 0.00 0.00 0.12 4.19 4.64 -1.95 -3.37 113.55 117.18 1f2x h SER 1030Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1f2x h SER 1030Cb 0.80 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.91 1f2x h SER 1030CO 0.03 0.30 -1.14 0.71 -0.87 0.00 0.00 176.83 175.87 1f2x h THR 1031N 0.00 1.33 -1.48 2.95 1.35 -2.00 -3.37 112.91 111.68 1f2x h THR 1031Ca -0.00 -2.44 -0.62 0.00 -0.55 0.00 0.00 66.41 62.80 1f2x h THR 1031Cb 1.05 2.77 -0.12 0.00 -1.73 0.00 0.00 68.15 70.12 1f2x h THR 1031CO 0.04 0.73 -0.56 -0.31 -0.25 0.00 0.00 175.52 175.17 1f2x s TYR 1032N -2.91 2.45 0.09 4.73 4.12 -1.26 -4.73 117.35 119.84 1f2x s TYR 1032Ca -0.10 -0.69 -0.31 0.00 0.02 0.00 0.00 57.07 55.99 1f2x s TYR 1032Cb 0.05 -1.81 -0.09 0.00 -1.52 0.00 0.00 41.96 38.59 1f2x s TYR 1032CO 0.91 0.35 1.63 0.00 0.02 0.00 0.00 175.55 178.46 1f2x s MET 1034N 2.29 1.58 0.17 0.00 -1.94 -0.44 -0.48 119.30 120.47 1f2x s MET 1034Ca 0.73 -1.73 -0.17 0.00 -1.71 0.00 0.00 55.69 52.81 1f2x s MET 1034Cb -0.41 -1.52 0.06 0.00 2.01 0.00 0.00 34.83 34.98 1f2x s MET 1034CO 0.32 0.24 0.81 0.41 -0.01 0.00 0.00 175.02 176.79 1f2x n GLY 1035N -0.56 0.79 3.13 -0.03 0.00 -0.44 0.14 105.19 108.22 1f2x n GLY 1035Ca -0.06 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1f2x n GLY 1035CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1f2x s TRP 1036N -2.95 1.51 0.13 1.61 0.52 -0.04 -0.24 118.94 119.49 1f2x s TRP 1036Ca 0.18 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.00 1f2x s TRP 1036Cb -0.02 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 1f2x s TRP 1036CO 0.05 -0.08 -0.11 -0.59 0.02 0.00 0.00 176.95 176.25 1f2x s PHE 1037N -0.20 1.24 0.21 -1.98 -0.12 -0.32 -1.11 117.98 115.69 1f2x s PHE 1037Ca 0.02 -0.72 0.07 0.00 -0.05 0.00 0.00 56.93 56.26 1f2x s PHE 1037Cb -0.08 -0.64 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 1f2x s PHE 1037CO 0.00 0.07 -0.13 -0.98 -0.05 0.00 0.00 175.22 174.14 1f2x s ARG 1038N -3.44 1.32 -0.17 1.99 1.70 0.26 0.22 118.95 120.83 1f2x s ARG 1038Ca 0.14 -1.60 -0.04 0.00 -0.47 0.00 0.00 55.73 53.76 1f2x s ARG 1038Cb 0.01 -1.06 0.06 0.00 -0.57 0.00 0.00 34.95 33.38 1f2x s ARG 1038CO 0.01 0.15 0.07 -1.14 -1.08 0.00 0.00 175.30 173.31 1f2x s GLN 1039N -3.67 0.25 0.28 3.89 2.00 0.02 -0.58 119.66 121.85 1f2x s GLN 1039Ca 0.23 -0.16 -0.15 0.00 -2.00 0.00 0.00 55.36 53.28 1f2x s GLN 1039Cb 0.00 -1.84 -0.08 0.00 0.80 0.00 0.00 33.01 31.89 1f2x s GLN 1039CO 0.07 -0.64 0.70 0.00 -0.50 0.00 0.00 175.29 174.92 1f2x s ALA 1040N 2.05 3.38 0.12 1.58 0.00 -1.26 -2.07 121.76 125.56 1f2x s ALA 1040Ca 0.01 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.75 1f2x s ALA 1040Cb -0.16 -2.72 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 1f2x s ALA 1040CO -0.08 0.36 1.42 -1.35 0.00 0.00 0.00 175.76 176.11 1f2x h PRO 1041N 2.60 -0.03 -0.86 0.00 0.11 -1.99 -2.04 132.00 129.79 1f2x h PRO 1041Ca -0.48 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.31 1f2x h PRO 1041Cb 1.18 0.01 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1f2x h PRO 1041CO 0.66 -0.02 0.42 0.41 -0.21 0.00 0.00 178.00 179.26 1f2x n GLY 1042N -1.20 3.89 3.49 -0.55 0.00 -1.26 -4.97 105.19 104.59 1f2x n GLY 1042Ca 0.01 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1f2x n GLY 1042CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2x s LYS 1043N -2.99 1.92 -0.01 1.61 1.02 -0.77 -5.15 119.74 115.37 1f2x s LYS 1043Ca 0.54 -2.16 -0.14 0.00 0.02 0.00 0.00 55.97 54.22 1f2x s LYS 1043Cb 0.44 -0.53 -0.06 0.00 -0.52 0.00 0.00 37.83 37.16 1f2x s LYS 1043CO 0.12 -0.50 0.39 -1.83 -0.92 0.00 0.00 175.35 172.62 1f2x s GLU 1044N -3.69 3.89 0.32 1.68 -1.05 -1.26 -4.58 118.70 114.01 1f2x s GLU 1044Ca 0.25 0.38 -0.25 0.00 -0.15 0.00 0.00 54.97 55.21 1f2x s GLU 1044Cb 0.02 -3.22 -0.15 0.00 -0.44 0.00 0.00 34.13 30.34 1f2x s GLU 1044CO 0.16 0.70 0.42 2.89 0.95 0.00 0.00 175.26 180.37 1f2x n ARG 1045N 1.83 0.24 -4.07 -4.83 0.00 -1.26 -4.78 116.66 103.79 1f2x n ARG 1045Ca -0.14 0.08 -0.16 0.00 -0.00 0.00 0.00 57.85 57.64 1f2x n ARG 1045Cb 0.52 -1.18 -0.15 0.00 -0.00 0.00 0.00 32.46 31.66 1f2x n ARG 1045CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1f2x s GLU 1046N -1.17 0.36 0.05 2.89 2.12 0.25 -4.99 118.70 118.21 1f2x s GLU 1046Ca 0.62 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.54 1f2x s GLU 1046Cb -0.74 -0.38 -0.05 0.00 0.26 0.00 0.00 34.13 33.22 1f2x s GLU 1046CO 0.59 0.03 1.07 0.20 -0.54 0.00 0.00 175.26 176.61 1f2x s GLY 1047N 0.18 2.74 -0.16 -1.50 0.00 -1.26 -0.57 107.32 106.75 1f2x s GLY 1047Ca -0.02 0.68 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 1f2x s GLY 1047CO -0.00 1.79 -0.26 -0.62 0.00 0.00 0.00 173.10 174.01 1f2x n VAL 1048N 3.65 1.25 -3.57 1.40 0.31 -0.27 -4.26 118.33 116.84 1f2x n VAL 1048Ca 0.06 -0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 1f2x n VAL 1048Cb 0.49 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 1f2x n VAL 1048CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f2x s ALA 1049N -2.50 -1.36 0.04 3.52 0.00 -1.01 -0.10 121.76 120.35 1f2x s ALA 1049Ca -0.25 0.67 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1f2x s ALA 1049Cb 0.07 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1f2x s ALA 1049CO 0.33 -0.48 -0.02 0.95 0.00 0.00 0.00 175.76 176.55 1f2x s THR 1050N -2.25 0.16 -0.07 0.00 -4.23 -0.49 -0.86 115.64 107.90 1f2x s THR 1050Ca -0.06 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1f2x s THR 1050Cb -0.01 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.97 1f2x s THR 1050CO -0.00 -0.73 0.35 -0.51 -0.54 0.00 0.00 174.62 173.19 1f2x s ILE 1051N -2.69 0.03 -0.28 2.99 2.07 0.12 -1.58 121.20 121.86 1f2x s ILE 1051Ca -0.04 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.96 1f2x s ILE 1051Cb -0.01 -0.59 0.16 0.00 0.13 0.00 0.00 42.46 42.15 1f2x s ILE 1051CO -0.05 -0.14 0.44 -0.22 -1.91 0.00 0.00 174.94 173.06 1f2x s LEU 1052N -0.66 -0.91 0.00 8.50 0.20 -0.73 -1.32 118.68 123.75 1f2x s LEU 1052Ca -0.08 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.64 1f2x s LEU 1052Cb -0.04 1.30 0.00 0.00 -0.43 0.00 0.00 46.19 47.02 1f2x s LEU 1052CO 0.03 -0.33 0.00 0.61 -0.29 0.00 0.00 176.35 176.37 1f2x n GLY 1053N 5.37 0.00 0.00 7.98 0.00 -1.26 -1.44 105.19 115.84 1f2x n GLY 1053Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1f2x n GLY 1053CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f2x n GLY 1054N 0.17 2.91 3.76 -0.02 0.00 -1.26 -5.06 105.19 105.69 1f2x n GLY 1054Ca 0.00 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1f2x n GLY 1054CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f2x s SER 1055N 0.00 7.29 -0.01 1.61 0.01 -0.52 -5.06 113.70 117.01 1f2x s SER 1055Ca 0.00 1.53 0.02 0.00 1.31 0.00 0.00 55.95 58.81 1f2x s SER 1055Cb 0.00 -2.48 -0.00 0.00 0.21 0.00 0.00 66.02 63.75 1f2x s SER 1055CO 0.00 0.12 -0.07 0.42 0.41 0.00 0.00 173.24 174.12 1f2x s THR 1056N -0.62 0.59 0.05 1.44 -4.23 -1.26 -1.78 115.64 109.83 1f2x s THR 1056Ca 0.37 -0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1f2x s THR 1056Cb -0.22 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.09 1f2x s THR 1056CO 0.24 0.18 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.99 1f2x s TYR 1057N -0.01 1.78 0.00 3.99 1.51 -0.62 -4.99 117.35 119.02 1f2x s TYR 1057Ca 0.01 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1f2x s TYR 1057Cb -0.05 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 1f2x s TYR 1057CO -0.00 0.10 -0.10 0.71 -1.11 0.00 0.00 175.55 175.15 1f2x s TYR 1058N -0.84 0.91 0.65 2.71 2.02 -1.26 -1.39 117.35 120.15 1f2x s TYR 1058Ca 0.07 -0.22 -0.18 0.00 -0.37 0.00 0.00 57.07 56.37 1f2x s TYR 1058Cb -0.09 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1f2x s TYR 1058CO 0.02 -0.01 1.27 0.20 -1.57 0.00 0.00 175.55 175.46 1f2x s GLY 1059N -0.49 2.76 0.34 0.71 0.00 0.86 -4.81 107.32 106.69 1f2x s GLY 1059Ca 0.02 1.13 0.05 0.00 0.00 0.00 0.00 44.72 45.93 1f2x s GLY 1059CO -0.00 1.55 1.91 -0.55 0.00 0.00 0.00 173.10 176.01 1f2x h ASP 1060N 0.47 0.74 0.17 1.64 3.32 -1.90 -2.57 116.42 118.30 1f2x h ASP 1060Ca -0.50 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1f2x h ASP 1060Cb 1.32 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1f2x h ASP 1060CO 0.53 0.44 -0.04 -1.54 -1.72 0.00 0.00 179.24 176.91 1f2x n SER 1061N -4.52 0.50 -0.01 6.45 3.41 -1.26 -3.73 113.62 114.46 1f2x n SER 1061Ca 0.14 -0.89 0.01 0.00 -0.26 0.00 0.00 58.87 57.87 1f2x n SER 1061Cb 0.31 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1f2x n SER 1061CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1f2x n VAL 1062N -0.75 0.00 -1.67 -3.33 0.24 -1.02 -4.97 118.33 106.82 1f2x n VAL 1062Ca 0.19 -0.45 -0.48 0.00 -2.04 0.00 0.00 64.34 61.56 1f2x n VAL 1062Cb 0.23 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.56 1f2x n VAL 1062CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1f2x n LYS 1063N -0.96 2.04 0.00 7.34 4.81 -1.00 -1.03 118.16 129.37 1f2x n LYS 1063Ca 0.01 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1f2x n LYS 1063Cb 0.04 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.57 1f2x n LYS 1063CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f2x n GLY 1064N 3.67 3.21 0.10 3.14 0.00 -1.26 -4.78 105.19 109.27 1f2x n GLY 1064Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1f2x n GLY 1064CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f2x n ARG 1065N -1.98 0.78 -4.12 1.61 1.74 -0.20 -4.99 116.66 109.49 1f2x n ARG 1065Ca 0.00 0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 1f2x n ARG 1065Cb 0.00 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 29.94 1f2x n ARG 1065CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1f2x s PHE 1066N -2.41 3.29 -0.05 -1.55 0.40 -0.35 -1.21 117.98 116.09 1f2x s PHE 1066Ca -0.22 0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1f2x s PHE 1066Cb 0.07 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1f2x s PHE 1066CO 0.55 0.55 -0.06 0.99 0.70 0.00 0.00 175.22 177.95 1f2x s THR 1067N -1.13 0.68 -0.02 0.64 2.01 0.25 -4.83 115.64 113.23 1f2x s THR 1067Ca 0.21 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1f2x s THR 1067Cb -0.12 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1f2x s THR 1067CO 0.11 0.26 0.09 -0.51 -0.69 0.00 0.00 174.62 173.88 1f2x s ILE 1068N 0.87 4.86 0.25 1.82 2.07 -1.26 0.06 121.20 129.87 1f2x s ILE 1068Ca -0.12 -0.31 -0.17 0.00 -1.41 0.00 0.00 60.65 58.65 1f2x s ILE 1068Cb -0.15 -3.20 0.01 0.00 0.13 0.00 0.00 42.46 39.25 1f2x s ILE 1068CO 0.01 0.39 0.58 -0.94 -1.91 0.00 0.00 174.94 173.07 1f2x s SER 1069N -1.63 -0.19 0.04 4.50 1.04 -0.14 -4.98 113.70 112.34 1f2x s SER 1069Ca 0.22 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1f2x s SER 1069Cb -0.12 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1f2x s SER 1069CO 0.13 -1.21 -0.07 0.00 0.98 0.00 0.00 173.24 173.07 1f2x s GLN 1070N -3.96 0.53 -0.33 4.02 -2.07 -1.26 -0.12 119.66 116.47 1f2x s GLN 1070Ca 0.16 -0.81 -0.01 0.00 -1.82 0.00 0.00 55.36 52.88 1f2x s GLN 1070Cb -0.03 -0.21 0.07 0.00 -1.09 0.00 0.00 33.01 31.76 1f2x s GLN 1070CO 0.06 0.02 0.05 0.34 -1.32 0.00 0.00 175.29 174.44 1f2x s ASP 1071N -1.76 4.92 0.25 12.60 3.68 0.11 -4.98 116.67 131.49 1f2x s ASP 1071Ca -0.08 -1.59 -0.06 0.00 2.13 0.00 0.00 52.55 52.95 1f2x s ASP 1071Cb -0.08 -1.71 0.27 0.00 -1.45 0.00 0.00 42.92 39.95 1f2x s ASP 1071CO -0.01 -0.34 1.93 -0.55 0.13 0.00 0.00 175.17 176.33 1f2x h ASN 1072N 7.93 1.15 0.55 -0.34 -0.00 -1.97 0.15 115.58 123.05 1f2x h ASN 1072Ca -0.17 -0.03 -0.21 0.00 -0.00 0.00 0.00 56.30 55.90 1f2x h ASN 1072Cb 1.05 -0.29 -0.01 0.00 -0.00 0.00 0.00 38.32 39.07 1f2x h ASN 1072CO 0.56 0.84 -0.92 0.00 -0.00 0.00 0.00 177.43 177.91 1f2x h ALA 1073N 1.37 0.46 -0.00 4.14 0.00 -1.97 -3.21 119.26 120.05 1f2x h ALA 1073Ca 0.37 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1f2x h ALA 1073Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1f2x h ALA 1073CO -0.08 0.91 -0.47 1.63 0.00 0.00 0.00 179.25 181.24 1f2x n LYS 1074N -3.66 0.02 -3.58 0.00 5.02 -1.11 -4.95 118.16 109.89 1f2x n LYS 1074Ca -0.04 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1f2x n LYS 1074Cb 0.83 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 34.40 1f2x n LYS 1074CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1f2x n ASN 1075N -1.48 -1.57 -4.04 4.39 5.15 0.49 -4.79 115.26 113.41 1f2x n ASN 1075Ca 0.06 -0.73 -0.15 0.00 -0.60 0.00 0.00 54.58 53.16 1f2x n ASN 1075Cb 0.34 -4.53 -0.13 0.00 -0.53 0.00 0.00 39.78 34.93 1f2x n ASN 1075CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1f2x s THR 1076N -3.53 0.57 -0.11 -0.44 2.01 -0.97 -1.76 115.64 111.40 1f2x s THR 1076Ca 0.00 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 1f2x s THR 1076Cb -0.00 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 1f2x s THR 1076CO 0.78 -0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.79 1f2x s VAL 1077N -0.89 3.77 0.04 3.82 1.01 -0.21 0.06 120.40 128.00 1f2x s VAL 1077Ca -0.05 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.59 1f2x s VAL 1077Cb -0.07 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1f2x s VAL 1077CO 0.00 0.55 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 1f2x s TYR 1078N -0.23 2.40 -0.29 5.22 2.02 0.83 -0.36 117.35 126.94 1f2x s TYR 1078Ca 0.03 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1f2x s TYR 1078Cb -0.13 -1.43 0.08 0.00 -0.40 0.00 0.00 41.96 40.09 1f2x s TYR 1078CO 0.03 0.15 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.97 1f2x s LEU 1079N -1.23 3.53 -0.20 -1.29 2.96 -0.23 -0.97 118.68 121.25 1f2x s LEU 1079Ca 0.12 -1.64 -0.20 0.00 -0.22 0.00 0.00 54.13 52.19 1f2x s LEU 1079Cb -0.10 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1f2x s LEU 1079CO 0.03 -0.30 0.61 -1.58 -1.32 0.00 0.00 176.35 173.79 1f2x s GLN 1080N 1.17 4.20 -0.27 1.98 2.00 0.11 -0.56 119.66 128.30 1f2x s GLN 1080Ca 0.01 0.59 0.01 0.00 -2.00 0.00 0.00 55.36 53.96 1f2x s GLN 1080Cb -0.19 -3.58 0.05 0.00 0.80 0.00 0.00 33.01 30.09 1f2x s GLN 1080CO -0.09 -0.23 -0.06 -1.64 -0.50 0.00 0.00 175.29 172.77 1f2x s MET 1081N 1.89 2.39 0.33 1.67 -1.94 0.35 -0.58 119.30 123.40 1f2x s MET 1081Ca 0.28 -1.27 0.08 0.00 -1.71 0.00 0.00 55.69 53.07 1f2x s MET 1081Cb -0.16 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 1f2x s MET 1081CO 0.10 -0.57 0.22 -0.80 -0.01 0.00 0.00 175.02 173.97 1f2x s ASN 1082N 1.19 5.07 -1.30 3.03 0.01 -0.35 -1.47 114.94 121.12 1f2x s ASN 1082Ca -0.06 -0.58 -0.18 0.00 -0.71 0.00 0.00 52.86 51.33 1f2x s ASN 1082Cb -0.19 -0.92 0.01 0.00 0.41 0.00 0.00 41.25 40.56 1f2x s ASN 1082CO -0.03 -0.30 0.53 -1.20 -1.51 0.00 0.00 177.10 174.58 1f2x n SER 1083N -1.26 -2.65 -4.75 -1.22 7.64 -1.17 -4.70 113.62 105.50 1f2x n SER 1083Ca -0.03 -1.17 -0.37 0.00 1.01 0.00 0.00 58.87 58.32 1f2x n SER 1083Cb 0.60 -2.37 0.03 0.00 -1.01 0.00 0.00 64.21 61.47 1f2x n SER 1083CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1f2x s LEU 1084N -7.11 3.74 0.19 -3.43 1.43 -0.78 -4.71 118.68 108.02 1f2x s LEU 1084Ca 0.29 2.50 0.08 0.00 -1.03 0.00 0.00 54.13 55.97 1f2x s LEU 1084Cb -0.14 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 1f2x s LEU 1084CO 0.93 -1.56 -0.15 -0.54 0.23 0.00 0.00 176.35 175.26 1f2x s LYS 1085N -3.15 1.30 0.46 1.70 1.02 -1.26 -0.67 119.74 119.13 1f2x s LYS 1085Ca 0.75 -1.53 0.17 0.00 0.02 0.00 0.00 55.97 55.38 1f2x s LYS 1085Cb -0.33 -1.16 1.13 0.00 -0.52 0.00 0.00 37.83 36.95 1f2x s LYS 1085CO 0.38 0.20 1.98 -1.35 -0.92 0.00 0.00 175.35 175.64 1f2x h PRO 1086N 2.78 0.29 0.00 -1.68 0.11 -1.88 1.00 132.00 132.61 1f2x h PRO 1086Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1f2x h PRO 1086Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1f2x h PRO 1086CO 0.59 0.19 0.00 0.93 -0.21 0.00 0.00 178.00 179.50 1f2x h GLU 1087N 0.30 0.00 -0.00 1.05 3.07 -1.96 -1.68 114.58 115.36 1f2x h GLU 1087Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1f2x h GLU 1087Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1f2x h GLU 1087CO -0.07 0.00 -0.00 -0.25 -1.40 0.00 0.00 179.01 177.29 1f2x n ASP 1088N -2.94 0.01 -4.73 1.42 8.00 0.34 -4.88 116.55 113.78 1f2x n ASP 1088Ca -0.01 -0.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.96 1f2x n ASP 1088Cb 0.15 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1f2x n ASP 1088CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1f2x s THR 1089N -2.60 2.36 0.00 -3.53 2.01 -0.63 -4.90 115.64 108.35 1f2x s THR 1089Ca 0.27 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1f2x s THR 1089Cb 0.20 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1f2x s THR 1089CO 0.47 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 1f2x n ALA 1090N 3.27 0.00 -2.69 7.40 0.00 -0.02 -4.62 120.51 123.86 1f2x n ALA 1090Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1f2x n ALA 1090Cb 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 1f2x n ALA 1090CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1f2x s ILE 1091N -2.00 5.34 -0.19 0.00 1.01 -0.88 -0.80 121.20 123.69 1f2x s ILE 1091Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.86 1f2x s ILE 1091Cb 0.00 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1f2x s ILE 1091CO 0.00 0.36 0.13 -0.31 0.00 0.00 0.00 174.94 175.12 1f2x s TYR 1092N 0.83 3.44 -0.06 3.97 1.51 0.25 -0.80 117.35 126.49 1f2x s TYR 1092Ca 0.10 0.36 0.06 0.00 -1.01 0.00 0.00 57.07 56.59 1f2x s TYR 1092Cb -0.13 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1f2x s TYR 1092CO 0.03 0.36 -0.25 0.71 -1.11 0.00 0.00 175.55 175.30 1f2x s TYR 1093N 0.14 2.44 0.17 2.71 2.02 0.13 -1.48 117.35 123.48 1f2x s TYR 1093Ca 0.09 -0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 55.93 1f2x s TYR 1093Cb -0.11 -1.60 -0.07 0.00 -0.40 0.00 0.00 41.96 39.78 1f2x s TYR 1093CO -0.01 -0.24 0.50 0.00 -1.57 0.00 0.00 175.55 174.23 1f2x s ALA 1095N -1.62 -0.89 -0.04 0.00 0.00 0.67 -1.28 121.76 118.61 1f2x s ALA 1095Ca 0.41 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.77 1f2x s ALA 1095Cb -0.13 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1f2x s ALA 1095CO 0.20 -0.31 -0.08 0.20 0.00 0.00 0.00 175.76 175.77 1f2x s GLY 1096N -1.48 0.56 0.40 0.00 0.00 -0.17 -1.33 107.32 105.31 1f2x s GLY 1096Ca -0.11 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.39 1f2x s GLY 1096CO 0.03 0.11 0.56 -1.14 0.00 0.00 0.00 173.10 172.66 1f2x n SER 1097N 3.62 1.30 -0.62 1.64 3.41 0.37 -1.17 113.62 122.18 1f2x n SER 1097Ca -0.21 -1.97 0.05 0.00 -0.26 0.00 0.00 58.87 56.48 1f2x n SER 1097Cb 0.53 -0.31 0.15 0.00 -0.26 0.00 0.00 64.21 64.32 1f2x n SER 1097CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1f2x n THR 1098N -1.94 1.07 -4.09 6.66 -2.24 -1.26 -4.59 114.28 107.89 1f2x n THR 1098Ca 0.11 -1.05 -0.36 0.00 -2.27 0.00 0.00 64.05 60.49 1f2x n THR 1098Cb 0.40 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 1f2x n THR 1098CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1f2x s VAL 1099N -1.09 4.98 -2.57 2.28 1.01 -1.26 -4.97 120.40 118.78 1f2x s VAL 1099Ca 0.23 -0.03 0.22 0.00 0.00 0.00 0.00 61.98 62.41 1f2x s VAL 1099Cb 0.13 -3.16 0.13 0.00 0.00 0.00 0.00 36.38 33.47 1f2x s VAL 1099CO 0.15 0.58 1.17 0.00 0.00 0.00 0.00 175.10 177.00 1f2x n ALA 1100N 1.95 2.75 -2.55 5.51 0.00 -1.26 -0.81 120.51 126.09 1f2x n ALA 1100Ca -0.19 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.18 1f2x n ALA 1100Cb 0.54 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.19 1f2x n ALA 1100CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1f2x s SER 1101N -2.01 7.23 0.20 0.00 0.15 -1.26 -4.92 113.70 113.08 1f2x s SER 1101Ca 0.24 1.48 -0.05 0.00 0.70 0.00 0.00 55.95 58.32 1f2x s SER 1101Cb 0.18 -2.50 0.13 0.00 -1.71 0.00 0.00 66.02 62.13 1f2x s SER 1101CO 0.35 -0.10 1.56 0.74 1.20 0.00 0.00 173.24 176.99 1f2x h THR 1102N 4.47 1.29 -0.02 6.45 2.02 -1.98 -1.82 112.91 123.31 1f2x h THR 1102Ca -0.42 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.24 1f2x h THR 1102Cb 1.21 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1f2x h THR 1102CO 0.73 0.49 0.01 1.23 0.37 0.00 0.00 175.52 178.36 1f2x h GLY 1103N 0.96 0.03 1.07 2.16 0.00 -1.99 -0.75 103.07 104.54 1f2x h GLY 1103Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1f2x h GLY 1103CO 0.08 0.01 -0.07 -0.25 0.00 0.00 0.00 176.54 176.31 1f2x h TRP 1104N 0.03 1.10 -0.69 5.60 7.01 -1.95 -2.91 115.95 124.13 1f2x h TRP 1104Ca 0.01 -0.22 -0.02 0.00 2.11 0.00 0.00 58.89 60.78 1f2x h TRP 1104Cb -0.00 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.75 1f2x h TRP 1104CO -0.08 1.02 0.37 0.00 -2.79 0.00 0.00 178.44 176.96 1f2x h SER 1106N 0.96 0.00 0.42 0.00 4.64 -0.93 -2.18 113.55 116.46 1f2x h SER 1106Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1f2x h SER 1106Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1f2x h SER 1106CO -0.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.46 1f2x n ARG 1107N -3.46 0.13 -3.68 4.77 1.74 -1.00 -4.92 116.66 110.23 1f2x n ARG 1107Ca 0.01 0.17 -0.27 0.00 -0.77 0.00 0.00 57.85 56.99 1f2x n ARG 1107Cb 0.37 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.34 1f2x n ARG 1107CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1f2x n LEU 1108N -1.38 -3.07 -3.08 0.55 -0.00 -0.82 -4.94 117.00 104.26 1f2x n LEU 1108Ca 0.06 -0.95 -0.22 0.00 -0.00 0.00 0.00 56.01 54.90 1f2x n LEU 1108Cb 0.16 -2.49 -0.03 0.00 -0.00 0.00 0.00 43.42 41.05 1f2x n LEU 1108CO 0.14 0.42 -0.07 0.54 -0.00 0.00 0.00 177.39 178.42 1f2x n ARG 1109N -4.14 1.95 0.15 1.96 1.74 -1.26 -4.36 116.66 112.69 1f2x n ARG 1109Ca -0.16 -4.02 0.12 0.00 -0.77 0.00 0.00 57.85 53.02 1f2x n ARG 1109Cb 0.62 -1.93 0.55 0.00 -1.02 0.00 0.00 32.46 30.68 1f2x n ARG 1109CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1f2x n PRO 1110N 0.05 0.17 0.28 5.56 -0.02 -1.26 -1.91 135.00 137.86 1f2x n PRO 1110Ca 0.28 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.47 1f2x n PRO 1110Cb 0.55 -1.93 0.75 0.00 -0.02 0.00 0.00 33.50 32.84 1f2x n PRO 1110CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1f2x h TYR 1111N 0.00 0.00 -0.06 6.00 -0.00 -1.93 -2.53 116.97 118.44 1f2x h TYR 1111Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1f2x h TYR 1111Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 1f2x h TYR 1111CO 0.00 0.04 0.00 -0.25 -0.00 0.00 0.00 178.16 177.95 1f2x n ASP 1112N -3.19 1.76 -4.80 0.10 8.00 -0.80 -4.97 116.55 112.65 1f2x n ASP 1112Ca -0.00 -1.61 -0.33 0.00 0.71 0.00 0.00 54.79 53.55 1f2x n ASP 1112Cb 0.28 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1f2x n ASP 1112CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1f2x s TYR 1113N -1.94 2.92 0.12 1.24 4.12 -0.96 -4.97 117.35 117.89 1f2x s TYR 1113Ca 0.36 1.52 -0.21 0.00 0.02 0.00 0.00 57.07 58.76 1f2x s TYR 1113Cb 0.20 -3.05 -0.04 0.00 -1.52 0.00 0.00 41.96 37.55 1f2x s TYR 1113CO 0.31 -1.20 1.70 1.25 0.02 0.00 0.00 175.55 177.64 1f2x h HIS 1114N 0.49 -0.13 -3.21 2.71 -0.00 -1.86 -3.43 115.15 109.71 1f2x h HIS 1114Ca -0.47 0.02 -0.67 0.00 -0.00 0.00 0.00 60.37 59.25 1f2x h HIS 1114Cb 1.23 0.08 -0.13 0.00 -0.00 0.00 0.00 27.41 28.60 1f2x h HIS 1114CO 0.57 -0.10 -0.60 0.71 -0.00 0.00 0.00 177.93 178.52 1f2x s TYR 1115N -6.19 3.21 0.01 5.26 1.51 -0.31 -4.99 117.35 115.85 1f2x s TYR 1115Ca -0.14 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1f2x s TYR 1115Cb 0.10 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1f2x s TYR 1115CO 0.68 0.51 -0.05 0.50 -1.11 0.00 0.00 175.55 176.08 1f2x s ARG 1116N -1.31 0.41 0.00 -0.62 3.52 -1.26 -1.00 118.95 118.68 1f2x s ARG 1116Ca 0.18 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1f2x s ARG 1116Cb -0.12 -0.29 0.00 0.00 -1.56 0.00 0.00 34.95 32.99 1f2x s ARG 1116CO 0.08 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.05 1f2x n GLY 1117N 2.36 -0.75 0.15 8.12 0.00 -0.40 -4.72 105.19 109.95 1f2x n GLY 1117Ca -0.17 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.24 1f2x n GLY 1117CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1f2x h GLN 1118N 0.00 0.00 0.00 1.61 1.08 -1.91 -3.46 115.11 112.43 1f2x h GLN 1118Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1f2x h GLN 1118Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1f2x h GLN 1118CO 0.00 0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 1f2x n GLY 1119N 1.16 1.82 3.18 3.46 0.00 -1.26 -5.02 105.19 108.52 1f2x n GLY 1119Ca 0.01 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1f2x n GLY 1119CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f2x s THR 1120N -1.88 1.50 0.02 2.61 2.01 -0.55 -4.88 115.64 114.48 1f2x s THR 1120Ca 0.00 -0.80 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 1f2x s THR 1120Cb 0.00 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1f2x s THR 1120CO 0.00 0.43 0.76 -1.58 -0.69 0.00 0.00 174.62 173.54 1f2x s GLN 1121N -0.31 4.48 -0.13 4.92 2.00 -1.26 -0.58 119.66 128.78 1f2x s GLN 1121Ca 0.04 1.04 0.01 0.00 -2.00 0.00 0.00 55.36 54.46 1f2x s GLN 1121Cb -0.09 -3.38 0.02 0.00 0.80 0.00 0.00 33.01 30.36 1f2x s GLN 1121CO 0.00 0.23 -0.16 0.08 -0.50 0.00 0.00 175.29 174.94 1f2x s VAL 1122N 0.14 1.65 -0.10 1.34 1.01 0.02 -1.73 120.40 122.73 1f2x s VAL 1122Ca 0.39 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1f2x s VAL 1122Cb -0.20 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1f2x s VAL 1122CO 0.22 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 174.78 1f2x s THR 1123N 1.10 1.27 -0.23 3.92 2.01 -0.30 -0.84 115.64 122.58 1f2x s THR 1123Ca -0.03 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1f2x s THR 1123Cb -0.14 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.19 1f2x s THR 1123CO -0.05 0.40 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 1f2x s VAL 1124N 1.15 2.72 0.24 3.82 1.01 -1.26 -0.77 120.40 127.31 1f2x s VAL 1124Ca -0.05 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 1f2x s VAL 1124Cb -0.14 -2.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.85 1f2x s VAL 1124CO -0.03 0.31 0.61 -0.44 0.00 0.00 0.00 175.10 175.55 1f2x s SER 1125N 1.33 6.73 0.09 3.32 0.01 0.22 -4.42 113.70 120.97 1f2x s SER 1125Ca 0.02 1.08 -0.31 0.00 1.31 0.00 0.00 55.95 58.05 1f2x s SER 1125Cb -0.16 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1f2x s SER 1125CO -0.06 -0.07 1.78 -0.55 0.41 0.00 0.00 173.24 174.75 1f2x s SER 1126N -2.17 6.49 0.00 2.44 0.15 -1.26 0.52 113.70 119.87 1f2x s SER 1126Ca 0.47 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.76 1f2x s SER 1126Cb -0.12 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 1f2x s SER 1126CO 0.20 -0.97 0.00 -2.11 1.20 0.00 0.00 173.24 171.56