#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1l s VAL 29 N 0.00 2.92 -0.01 1.69 1.01 -1.26 -5.00 120.40 119.75 1n1l s VAL 29 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1n1l s VAL 29 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1n1l s VAL 29 CO 0.00 0.02 0.15 -1.61 0.00 0.00 0.00 175.10 173.66 1n1l s GLU 30 N 1.88 3.30 -0.03 2.72 2.02 -1.26 -4.93 118.70 122.39 1n1l s GLU 30 Ca 0.71 -0.39 0.01 0.00 0.02 0.00 0.00 54.97 55.32 1n1l s GLU 30 Cb -0.41 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1n1l s GLU 30 CO 0.31 0.66 -0.02 0.20 0.02 0.00 0.00 175.26 176.44 1n1l s GLY 31 N -1.88 1.82 0.05 -1.39 0.00 -0.67 -4.79 107.32 100.45 1n1l s GLY 31 Ca 0.26 -0.91 0.23 0.00 0.00 0.00 0.00 44.72 44.30 1n1l s GLY 31 CO 0.17 -0.74 1.04 -1.84 0.00 0.00 0.00 173.10 171.74 1n1l n GLU 32 N 1.74 0.27 -5.23 2.90 0.00 -1.26 -1.87 120.64 117.19 1n1l n GLU 32 Ca -0.16 -0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.68 1n1l n GLU 32 Cb 0.53 -1.59 -0.16 0.00 0.00 0.00 0.00 31.44 30.22 1n1l n GLU 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1n1l s VAL 33 N -3.18 2.13 -0.03 3.84 1.01 -1.26 -0.57 120.40 122.34 1n1l s VAL 33 Ca 0.04 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1n1l s VAL 33 Cb 0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1n1l s VAL 33 CO 0.80 0.57 -0.10 -1.10 0.00 0.00 0.00 175.10 175.27 1n1l s GLN 34 N -0.13 2.54 -0.24 2.72 1.11 0.57 -4.97 119.66 121.26 1n1l s GLN 34 Ca -0.04 -0.69 -0.15 0.00 0.01 0.00 0.00 55.36 54.48 1n1l s GLN 34 Cb -0.14 -2.46 -0.04 0.00 -1.01 0.00 0.00 33.01 29.36 1n1l s GLN 34 CO 0.04 0.62 0.39 0.42 0.01 0.00 0.00 175.29 176.77 1n1l s ILE 35 N -0.87 5.18 0.20 1.08 1.01 -1.26 -0.67 121.20 125.86 1n1l s ILE 35 Ca 0.14 0.64 0.10 0.00 0.00 0.00 0.00 60.65 61.53 1n1l s ILE 35 Cb -0.11 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1n1l s ILE 35 CO 0.04 0.19 -0.19 0.68 0.00 0.00 0.00 174.94 175.65 1n1l s VAL 36 N 1.80 2.05 -0.01 2.92 -7.23 0.13 -4.97 120.40 115.09 1n1l s VAL 36 Ca 0.17 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1n1l s VAL 36 Cb -0.15 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1n1l s VAL 36 CO 0.09 -0.33 0.05 -0.44 -0.31 0.00 0.00 175.10 174.16 1n1l s SER 37 N -2.92 0.01 0.21 4.85 0.01 -1.26 -0.25 113.70 114.35 1n1l s SER 37 Ca 0.20 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.44 1n1l s SER 37 Cb -0.05 0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1n1l s SER 37 CO 0.09 -0.12 0.16 0.35 0.41 0.00 0.00 173.24 174.12 1n1l n THR 38 N 2.55 0.00 0.21 1.44 -2.24 -0.93 -5.01 114.28 110.30 1n1l n THR 38 Ca -0.16 -0.86 0.06 0.00 -2.27 0.00 0.00 64.05 60.82 1n1l n THR 38 Cb 0.58 -0.31 0.47 0.00 -2.10 0.00 0.00 70.33 68.98 1n1l n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n1l h ALA 39 N 0.72 1.36 0.00 6.98 0.00 -2.01 -3.34 119.26 122.97 1n1l h ALA 39 Ca -0.14 -0.25 -0.32 0.00 0.00 0.00 0.00 54.91 54.20 1n1l h ALA 39 Cb 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1n1l h ALA 39 CO 0.21 0.34 -2.12 0.25 0.00 0.00 0.00 179.25 177.94 1n1l n THR 40 N -3.94 1.11 -3.47 0.00 -2.24 -1.26 -5.06 114.28 99.41 1n1l n THR 40 Ca -0.02 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 1n1l n THR 40 Cb 0.35 -1.49 -0.00 0.00 -2.10 0.00 0.00 70.33 67.08 1n1l n THR 40 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n1l s GLN 41 N -2.38 2.45 -0.08 -0.78 -0.21 -1.26 -5.14 119.66 112.26 1n1l s GLN 41 Ca -0.27 -1.64 -0.08 0.00 0.02 0.00 0.00 55.36 53.38 1n1l s GLN 41 Cb 0.09 -2.41 0.02 0.00 1.00 0.00 0.00 33.01 31.72 1n1l s GLN 41 CO 0.40 -0.44 0.24 -0.08 -2.12 0.00 0.00 175.29 173.29 1n1l s THR 42 N -2.57 0.01 0.00 -0.19 -1.32 -1.26 -2.18 115.64 108.13 1n1l s THR 42 Ca 0.48 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1n1l s THR 42 Cb -0.04 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1n1l s THR 42 CO 0.29 -0.02 0.00 2.22 -2.21 0.00 0.00 174.62 174.90 1n1l n PHE 43 N 2.84 0.00 -4.18 9.09 -1.74 0.65 -4.47 117.46 119.64 1n1l n PHE 43 Ca -0.13 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.58 1n1l n PHE 43 Cb 0.58 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.47 1n1l n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1n1l s LEU 44 N 0.00 2.31 0.16 5.98 1.43 -0.77 -0.69 118.68 127.09 1n1l s LEU 44 Ca 0.00 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1n1l s LEU 44 Cb 0.00 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 1n1l s LEU 44 CO 0.00 -0.11 -0.15 0.00 0.23 0.00 0.00 176.35 176.32 1n1l s ALA 45 N -1.56 1.74 -0.05 4.21 0.00 0.15 -4.02 121.76 122.24 1n1l s ALA 45 Ca 0.00 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.54 1n1l s ALA 45 Cb -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1n1l s ALA 45 CO 0.02 0.11 -0.10 0.99 0.00 0.00 0.00 175.76 176.77 1n1l s THR 46 N -2.45 0.94 -0.26 0.00 2.01 0.69 -0.31 115.64 116.26 1n1l s THR 46 Ca 0.15 -0.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.57 1n1l s THR 46 Cb -0.03 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 1n1l s THR 46 CO 0.05 0.30 0.53 0.00 -0.69 0.00 0.00 174.62 174.80 1n1l s ILE 48 N 2.33 0.95 -1.56 0.00 1.01 -0.22 -0.03 121.20 123.68 1n1l s ILE 48 Ca 0.21 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 1n1l s ILE 48 Cb -0.16 -0.87 0.09 0.00 0.01 0.00 0.00 42.46 41.54 1n1l s ILE 48 CO 0.09 0.30 0.88 0.59 0.00 0.00 0.00 174.94 176.81 1n1l n ASN 49 N 3.60 -3.89 0.00 3.58 5.03 -1.20 -1.75 115.26 120.63 1n1l n ASN 49 Ca -0.21 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.38 1n1l n ASN 49 Cb 0.52 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.73 1n1l n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1n1l n GLY 50 N -1.63 1.30 3.37 7.41 0.00 -1.26 -5.01 105.19 109.37 1n1l n GLY 50 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1n1l n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1l s VAL 51 N -3.39 2.75 -0.54 1.61 1.01 -0.71 -1.61 120.40 119.52 1n1l s VAL 51 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1n1l s VAL 51 Cb 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1n1l s VAL 51 CO 0.00 0.56 0.73 0.00 0.00 0.00 0.00 175.10 176.39 1n1l s TRP 53 N 3.02 3.56 0.00 0.00 0.52 0.22 -1.52 118.94 124.74 1n1l s TRP 53 Ca 0.18 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.75 1n1l s TRP 53 Cb -0.18 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.24 1n1l s TRP 53 CO 0.12 0.62 0.00 -2.37 0.02 0.00 0.00 176.95 175.35 1n1l n THR 54 N 0.96 0.00 -3.42 2.01 5.66 -0.21 -0.22 114.28 119.06 1n1l n THR 54 Ca -0.11 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.52 1n1l n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1n1l n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1n1l s VAL 55 N -2.67 5.24 0.25 1.08 -7.23 -1.26 -1.33 120.40 114.47 1n1l s VAL 55 Ca 0.00 0.76 -0.04 0.00 -1.81 0.00 0.00 61.98 60.89 1n1l s VAL 55 Cb 0.00 -3.73 0.23 0.00 0.56 0.00 0.00 36.38 33.45 1n1l s VAL 55 CO 0.00 0.36 1.84 0.22 -0.31 0.00 0.00 175.10 177.22 1n1l h TYR 56 N 6.63 1.00 0.00 2.82 5.03 -1.09 -0.37 116.97 131.00 1n1l h TYR 56 Ca -0.41 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1n1l h TYR 56 Cb 1.17 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.13 1n1l h TYR 56 CO 0.61 0.47 0.00 -2.39 -1.32 0.00 0.00 178.16 175.53 1n1l n HIS 57 N -4.64 0.00 -0.05 -3.82 1.44 -1.26 -1.20 115.22 105.69 1n1l n HIS 57 Ca 0.14 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.76 1n1l n HIS 57 Cb 0.23 -0.31 -0.04 0.00 0.12 0.00 0.00 29.99 29.99 1n1l n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1n1l n GLY 58 N -1.31 -0.14 0.12 -1.39 0.00 -0.41 -4.82 105.19 97.24 1n1l n GLY 58 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1n1l n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n1l h ALA 59 N -0.23 -0.05 -0.10 4.61 0.00 -0.99 -3.47 119.26 119.03 1n1l h ALA 59 Ca -0.23 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1n1l h ALA 59 Cb 1.25 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1n1l h ALA 59 CO -0.11 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1n1l n GLY 60 N 1.70 0.60 1.30 0.00 0.00 -0.34 -2.92 105.19 105.53 1n1l n GLY 60 Ca -0.17 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.11 1n1l n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n1l n THR 61 N 0.00 1.18 -1.56 2.61 -2.24 -1.26 -4.85 114.28 108.16 1n1l n THR 61 Ca 0.00 -1.05 -0.37 0.00 -2.27 0.00 0.00 64.05 60.36 1n1l n THR 61 Cb 0.00 0.42 0.06 0.00 -2.10 0.00 0.00 70.33 68.71 1n1l n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1n1l n ARG 62 N 1.38 0.75 -1.90 -0.78 1.74 -1.15 -4.78 116.66 111.92 1n1l n ARG 62 Ca 0.23 0.30 -0.31 0.00 -0.77 0.00 0.00 57.85 57.30 1n1l n ARG 62 Cb 0.65 -2.10 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 1n1l n ARG 62 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1n1l s THR 63 N -1.60 4.58 -0.10 0.55 -4.23 -1.26 -4.49 115.64 109.09 1n1l s THR 63 Ca 0.75 0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 62.07 1n1l s THR 63 Cb -0.41 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 69.61 1n1l s THR 63 CO 0.48 -1.04 0.18 -0.51 -0.54 0.00 0.00 174.62 173.19 1n1l s ILE 64 N -3.08 5.43 0.63 2.99 2.07 -0.31 -4.83 121.20 124.10 1n1l s ILE 64 Ca 0.56 0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 59.93 1n1l s ILE 64 Cb -0.11 -3.45 -0.02 0.00 0.13 0.00 0.00 42.46 39.01 1n1l s ILE 64 CO 0.51 0.61 1.24 0.00 -1.91 0.00 0.00 174.94 175.39 1n1l s ALA 65 N -1.04 2.42 0.13 1.50 0.00 -1.26 -0.58 121.76 122.94 1n1l s ALA 65 Ca 0.16 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 1n1l s ALA 65 Cb -0.13 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.55 1n1l s ALA 65 CO 0.06 -1.42 0.48 -1.54 0.00 0.00 0.00 175.76 173.33 1n1l s SER 66 N -1.60 -0.37 0.00 0.00 1.04 -1.18 -4.82 113.70 106.78 1n1l s SER 66 Ca 0.79 -0.16 0.17 0.00 0.48 0.00 0.00 55.95 57.22 1n1l s SER 66 Cb -0.33 0.52 0.80 0.00 0.10 0.00 0.00 66.02 67.11 1n1l s SER 66 CO 0.37 -0.88 1.51 -0.81 0.98 0.00 0.00 173.24 174.41 1n1l n PRO 67 N -0.21 0.15 -0.65 4.02 -0.04 -1.26 -0.87 135.00 136.14 1n1l n PRO 67 Ca -0.17 0.16 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1n1l n PRO 67 Cb 0.64 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.93 1n1l n PRO 67 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1n1l n LYS 68 N -1.37 3.85 0.00 0.54 5.02 -1.26 -5.09 118.16 119.85 1n1l n LYS 68 Ca 0.06 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1n1l n LYS 68 Cb 0.16 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 1n1l n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n1l n GLY 69 N 0.06 -0.11 3.75 0.72 0.00 -0.05 -5.00 105.19 104.55 1n1l n GLY 69 Ca 0.24 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 1n1l n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1n1l s PRO 70 N -1.06 3.15 -0.09 1.61 0.04 -1.26 -3.08 135.00 134.30 1n1l s PRO 70 Ca 0.00 2.28 0.04 0.00 0.04 0.00 0.00 61.00 63.36 1n1l s PRO 70 Cb 0.00 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1n1l s PRO 70 CO 0.00 -1.20 -0.23 0.08 0.04 0.00 0.00 177.00 175.70 1n1l s VAL 71 N -1.28 1.96 0.39 -0.36 1.01 0.26 -4.93 120.40 117.45 1n1l s VAL 71 Ca 0.71 -0.97 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 1n1l s VAL 71 Cb -0.41 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 1n1l s VAL 71 CO 0.49 0.54 0.90 0.27 0.00 0.00 0.00 175.10 177.31 1n1l s ILE 72 N 0.29 4.42 0.42 2.22 -4.36 -1.26 -1.16 121.20 121.75 1n1l s ILE 72 Ca -0.16 1.45 -0.26 0.00 -0.26 0.00 0.00 60.65 61.42 1n1l s ILE 72 Cb -0.17 -3.68 -0.10 0.00 1.25 0.00 0.00 42.46 39.76 1n1l s ILE 72 CO 0.08 -0.20 1.32 0.00 0.24 0.00 0.00 174.94 176.38 1n1l n GLN 73 N -0.35 2.07 0.10 0.37 6.02 -1.26 -4.69 117.38 119.65 1n1l n GLN 73 Ca 0.05 0.74 0.12 0.00 -0.01 0.00 0.00 57.00 57.89 1n1l n GLN 73 Cb 0.53 -2.45 0.03 0.00 1.02 0.00 0.00 30.24 29.37 1n1l n GLN 73 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1n1l h MET 74 N 2.24 0.00 -2.93 -1.09 2.86 -0.11 -3.47 114.93 112.43 1n1l h MET 74 Ca -0.48 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.00 1n1l h MET 74 Cb 1.28 0.00 -0.27 0.00 0.06 0.00 0.00 31.60 32.67 1n1l h MET 74 CO 0.61 0.00 -0.39 0.71 1.06 0.00 0.00 176.91 178.89 1n1l s TYR 75 N -3.33 -0.39 -0.19 -0.22 2.02 -0.94 -4.99 117.35 109.31 1n1l s TYR 75 Ca 0.01 0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 57.57 1n1l s TYR 75 Cb 0.10 0.12 0.08 0.00 -0.40 0.00 0.00 41.96 41.86 1n1l s TYR 75 CO 0.78 -0.23 0.14 0.99 -1.57 0.00 0.00 175.55 175.65 1n1l s THR 76 N 0.85 -0.16 -0.48 -0.71 2.01 -1.26 -1.80 115.64 114.08 1n1l s THR 76 Ca -0.06 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1n1l s THR 76 Cb -0.07 -0.65 0.14 0.00 0.01 0.00 0.00 72.50 71.94 1n1l s THR 76 CO -0.06 -0.31 0.29 0.21 -0.69 0.00 0.00 174.62 174.06 1n1l s ASN 77 N 2.19 3.68 0.51 3.53 3.84 0.04 -4.96 114.94 123.79 1n1l s ASN 77 Ca 0.04 -2.89 0.17 0.00 0.21 0.00 0.00 52.86 50.39 1n1l s ASN 77 Cb -0.16 -1.14 1.27 0.00 -0.55 0.00 0.00 41.25 40.67 1n1l s ASN 77 CO -0.13 -0.23 2.12 0.58 -2.79 0.00 0.00 177.10 176.65 1n1l h VAL 78 N 5.10 0.98 0.08 -5.21 2.07 -1.96 -1.28 116.25 116.02 1n1l h VAL 78 Ca 0.03 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1n1l h VAL 78 Cb 0.90 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1n1l h VAL 78 CO 0.53 0.04 -0.04 0.44 0.02 0.00 0.00 177.57 178.57 1n1l h ASP 79 N 0.00 -0.09 0.00 0.57 3.32 -1.92 -3.07 116.42 115.23 1n1l h ASP 79 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1n1l h ASP 79 Cb 0.08 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1n1l h ASP 79 CO 0.01 0.41 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 1n1l n GLN 80 N -4.90 0.86 -2.36 3.56 6.02 -1.13 -4.91 117.38 114.52 1n1l n GLN 80 Ca -0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.75 1n1l n GLN 80 Cb 0.26 -1.46 -0.00 0.00 1.02 0.00 0.00 30.24 30.05 1n1l n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1n1l n ASP 81 N -0.96 -4.71 -4.27 1.08 2.03 -0.94 -4.93 116.55 103.84 1n1l n ASP 81 Ca 0.19 -0.04 -0.31 0.00 0.52 0.00 0.00 54.79 55.15 1n1l n ASP 81 Cb 0.09 -3.81 -0.16 0.00 -0.72 0.00 0.00 41.12 36.51 1n1l n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1n1l s LEU 82 N -4.56 2.06 0.02 -2.67 2.96 -0.53 -0.55 118.68 115.41 1n1l s LEU 82 Ca 0.03 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1n1l s LEU 82 Cb -0.01 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.31 1n1l s LEU 82 CO 0.03 0.26 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.59 1n1l s VAL 83 N -0.27 0.29 -0.05 1.68 1.01 -0.45 -0.78 120.40 121.84 1n1l s VAL 83 Ca -0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1n1l s VAL 83 Cb -0.13 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1n1l s VAL 83 CO 0.02 -0.31 0.10 -0.83 0.00 0.00 0.00 175.10 174.09 1n1l s GLY 84 N -1.13 0.09 0.44 4.51 0.00 -0.75 -1.05 107.32 109.43 1n1l s GLY 84 Ca -0.09 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.13 1n1l s GLY 84 CO -0.00 1.19 0.47 -0.98 0.00 0.00 0.00 173.10 173.78 1n1l s TRP 85 N 1.69 2.57 0.36 1.90 0.51 -0.57 0.65 118.94 126.05 1n1l s TRP 85 Ca -0.02 -0.50 -0.28 0.00 -2.12 0.00 0.00 56.10 53.18 1n1l s TRP 85 Cb -0.12 -2.23 -0.10 0.00 -0.81 0.00 0.00 33.47 30.22 1n1l s TRP 85 CO -0.04 -0.32 1.29 -2.14 -0.51 0.00 0.00 176.95 175.22 1n1l s PRO 86 N -4.25 4.23 0.09 4.98 0.02 -1.26 -0.82 135.00 137.98 1n1l s PRO 86 Ca 0.50 2.15 -0.36 0.00 0.02 0.00 0.00 61.00 63.31 1n1l s PRO 86 Cb -0.05 -2.95 -0.16 0.00 0.02 0.00 0.00 34.50 31.36 1n1l s PRO 86 CO 0.30 -0.27 1.42 0.00 -0.33 0.00 0.00 177.00 178.12 1n1l n ALA 87 N 0.55 -0.34 -1.67 -1.55 0.00 -0.64 -4.50 120.51 112.37 1n1l n ALA 87 Ca 0.01 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 1n1l n ALA 87 Cb 0.43 -2.15 0.16 0.00 0.00 0.00 0.00 19.45 17.88 1n1l n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n1l s PRO 88 N 0.73 0.79 0.63 0.00 0.04 -1.26 -4.97 135.00 130.96 1n1l s PRO 88 Ca 0.84 -0.02 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 1n1l s PRO 88 Cb -0.89 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1n1l s PRO 88 CO 0.45 -2.37 1.07 1.14 0.04 0.00 0.00 177.00 177.33 1n1l s GLN 89 N -5.55 3.10 0.00 4.56 -2.07 -1.26 -3.44 119.66 114.99 1n1l s GLN 89 Ca 0.68 1.24 0.00 0.00 -1.82 0.00 0.00 55.36 55.46 1n1l s GLN 89 Cb -0.10 -2.00 0.00 0.00 -1.09 0.00 0.00 33.01 29.82 1n1l s GLN 89 CO 0.53 -1.00 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 1n1l n GLY 90 N -0.93 0.57 3.45 2.60 0.00 -1.26 -5.05 105.19 104.58 1n1l n GLY 90 Ca 0.09 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1n1l n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n1l s SER 91 N -2.20 3.05 0.04 1.61 1.04 -1.22 -1.68 113.70 114.34 1n1l s SER 91 Ca 0.00 -1.15 -0.18 0.00 0.48 0.00 0.00 55.95 55.10 1n1l s SER 91 Cb 0.00 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.94 1n1l s SER 91 CO 0.00 -0.24 0.41 0.00 0.98 0.00 0.00 173.24 174.39 1n1l s ARG 92 N -3.66 0.91 -0.06 4.02 1.70 -0.78 -4.71 118.95 116.37 1n1l s ARG 92 Ca 0.29 -0.34 -0.05 0.00 -0.47 0.00 0.00 55.73 55.16 1n1l s ARG 92 Cb 0.02 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1n1l s ARG 92 CO 0.13 -0.31 0.18 -1.12 -1.08 0.00 0.00 175.30 173.09 1n1l s SER 93 N -1.96 6.40 0.37 -2.89 0.01 -1.26 -4.07 113.70 110.30 1n1l s SER 93 Ca -0.06 0.44 -0.22 0.00 1.31 0.00 0.00 55.95 57.43 1n1l s SER 93 Cb -0.01 -2.05 -0.10 0.00 0.21 0.00 0.00 66.02 64.07 1n1l s SER 93 CO -0.02 0.33 0.90 -0.76 0.41 0.00 0.00 173.24 174.10 1n1l s LEU 94 N -1.49 4.11 0.06 2.44 1.43 0.95 -4.89 118.68 121.29 1n1l s LEU 94 Ca 0.22 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 1n1l s LEU 94 Cb -0.12 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.79 1n1l s LEU 94 CO 0.12 -0.22 0.49 -0.89 0.23 0.00 0.00 176.35 176.08 1n1l s THR 95 N -1.93 4.89 0.43 5.49 2.01 -1.26 -3.26 115.64 122.01 1n1l s THR 95 Ca 0.56 0.95 -0.25 0.00 0.31 0.00 0.00 61.69 63.26 1n1l s THR 95 Cb -0.13 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 1n1l s THR 95 CO 0.17 0.49 1.30 -2.84 -0.69 0.00 0.00 174.62 173.06 1n1l s PRO 96 N -1.31 3.83 0.36 4.92 0.02 -1.26 -0.49 135.00 141.06 1n1l s PRO 96 Ca 0.29 2.15 -0.28 0.00 0.02 0.00 0.00 61.00 63.17 1n1l s PRO 96 Cb -0.17 -2.65 -0.12 0.00 0.02 0.00 0.00 34.50 31.58 1n1l s PRO 96 CO 0.17 -0.60 1.35 0.00 -0.33 0.00 0.00 177.00 177.59 1n1l n THR 98 N 0.35 0.39 0.92 0.00 -2.24 -1.26 -4.83 114.28 107.62 1n1l n THR 98 Ca 0.04 -0.41 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1n1l n THR 98 Cb 0.37 0.76 0.22 0.00 -2.10 0.00 0.00 70.33 69.58 1n1l n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n1l n GLY 100 N 1.34 0.61 3.72 0.00 0.00 -1.26 -4.93 105.19 104.68 1n1l n GLY 100 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1n1l n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n1l s SER 101 N -1.83 3.88 0.00 1.61 0.15 -1.26 -4.95 113.70 111.31 1n1l s SER 101 Ca 0.00 2.08 0.11 0.00 0.70 0.00 0.00 55.95 58.84 1n1l s SER 101 Cb 0.00 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.82 1n1l s SER 101 CO 0.00 -2.46 0.80 -1.20 1.20 0.00 0.00 173.24 171.58 1n1l n SER 102 N -3.56 1.75 -4.43 5.45 7.64 -1.26 -4.87 113.62 114.33 1n1l n SER 102 Ca 0.11 -1.37 -0.44 0.00 1.01 0.00 0.00 58.87 58.18 1n1l n SER 102 Cb 0.52 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.80 1n1l n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1n1l s ASP 103 N -1.09 6.22 0.37 6.43 1.01 -1.26 -1.11 116.67 127.23 1n1l s ASP 103 Ca 0.12 -1.01 0.07 0.00 0.71 0.00 0.00 52.55 52.44 1n1l s ASP 103 Cb 0.09 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1n1l s ASP 103 CO 0.18 -0.95 0.44 -0.76 0.21 0.00 0.00 175.17 174.29 1n1l s LEU 104 N 2.68 3.72 -0.04 1.23 1.43 0.24 -3.78 118.68 124.17 1n1l s LEU 104 Ca 0.15 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1n1l s LEU 104 Cb -0.20 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.55 1n1l s LEU 104 CO 0.11 -0.52 0.07 -0.31 0.23 0.00 0.00 176.35 175.93 1n1l s TYR 105 N -2.29 -0.05 -0.16 0.29 1.51 0.28 -1.94 117.35 114.98 1n1l s TYR 105 Ca 0.47 0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 56.75 1n1l s TYR 105 Cb -0.08 -0.14 -0.03 0.00 -0.11 0.00 0.00 41.96 41.60 1n1l s TYR 105 CO 0.30 -0.11 -0.04 -1.17 -1.11 0.00 0.00 175.55 173.43 1n1l s LEU 106 N 0.94 3.23 -0.14 -1.29 0.20 -0.29 0.25 118.68 121.57 1n1l s LEU 106 Ca -0.08 -0.14 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 1n1l s LEU 106 Cb -0.10 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 1n1l s LEU 106 CO -0.04 0.16 0.04 -0.69 -0.29 0.00 0.00 176.35 175.54 1n1l s VAL 107 N 0.43 4.65 0.47 1.68 1.01 -1.05 -1.80 120.40 125.79 1n1l s VAL 107 Ca -0.04 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1n1l s VAL 107 Cb -0.14 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1n1l s VAL 107 CO 0.03 0.53 0.46 0.42 0.00 0.00 0.00 175.10 176.54 1n1l s THR 108 N -0.17 2.41 -1.54 3.92 -4.23 -0.57 -4.41 115.64 111.04 1n1l s THR 108 Ca 0.07 -1.29 0.13 0.00 -1.18 0.00 0.00 61.69 59.42 1n1l s THR 108 Cb -0.12 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.28 1n1l s THR 108 CO 0.02 0.00 1.31 -2.11 -0.54 0.00 0.00 174.62 173.29 1n1l n ARG 109 N -1.73 0.23 -0.15 3.99 1.85 -1.26 -0.51 116.66 119.08 1n1l n ARG 109 Ca 0.05 0.13 0.08 0.00 -1.00 0.00 0.00 57.85 57.11 1n1l n ARG 109 Cb 0.62 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.69 1n1l n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1n1l n HIS 110 N -1.23 0.38 -1.80 2.89 8.25 -1.26 -4.95 115.22 117.50 1n1l n HIS 110 Ca 0.07 -0.28 -0.12 0.00 -0.26 0.00 0.00 57.72 57.12 1n1l n HIS 110 Cb 0.09 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1n1l n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n1l n ALA 111 N 0.96 -0.28 -1.74 -1.41 0.00 0.33 -5.03 120.51 113.34 1n1l n ALA 111 Ca 0.14 0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 1n1l n ALA 111 Cb 0.47 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1n1l n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n1l s ASP 112 N -2.65 6.14 -0.12 0.00 1.01 -1.26 -4.83 116.67 114.95 1n1l s ASP 112 Ca 0.00 1.71 0.02 0.00 0.71 0.00 0.00 52.55 54.99 1n1l s ASP 112 Cb 0.00 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.42 1n1l s ASP 112 CO 0.00 -0.92 -0.18 -0.69 0.21 0.00 0.00 175.17 173.59 1n1l s VAL 113 N -2.53 1.75 -0.07 -1.27 1.01 -1.26 -1.51 120.40 116.51 1n1l s VAL 113 Ca 0.62 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.83 1n1l s VAL 113 Cb -0.13 -1.57 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1n1l s VAL 113 CO 0.35 0.49 -0.14 0.27 0.00 0.00 0.00 175.10 176.07 1n1l s ILE 114 N 0.94 1.29 0.40 2.22 -4.36 -0.74 -4.93 121.20 116.01 1n1l s ILE 114 Ca -0.06 -0.57 -0.26 0.00 -0.26 0.00 0.00 60.65 59.50 1n1l s ILE 114 Cb -0.15 -1.16 -0.09 0.00 1.25 0.00 0.00 42.46 42.32 1n1l s ILE 114 CO -0.02 0.39 1.19 -2.16 0.24 0.00 0.00 174.94 174.58 1n1l s PRO 115 N 0.58 4.06 -0.03 0.37 0.04 -1.26 -1.14 135.00 137.62 1n1l s PRO 115 Ca -0.15 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1n1l s PRO 115 Cb -0.16 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1n1l s PRO 115 CO 0.04 -0.33 0.05 0.08 0.04 0.00 0.00 177.00 176.88 1n1l s VAL 116 N -1.37 -0.08 -0.05 -0.36 1.01 -0.82 -2.42 120.40 116.32 1n1l s VAL 116 Ca 0.56 0.28 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1n1l s VAL 116 Cb -0.32 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1n1l s VAL 116 CO 0.41 0.12 0.42 -0.60 0.00 0.00 0.00 175.10 175.44 1n1l s ARG 117 N 1.42 4.08 -0.13 2.72 6.06 -0.01 -0.59 118.95 132.49 1n1l s ARG 117 Ca -0.05 0.40 -0.29 0.00 -2.50 0.00 0.00 55.73 53.28 1n1l s ARG 117 Cb -0.13 -3.30 -0.01 0.00 0.06 0.00 0.00 34.95 31.57 1n1l s ARG 117 CO -0.03 0.50 1.05 0.50 -2.50 0.00 0.00 175.30 174.81 1n1l s ARG 118 N -0.45 4.37 -0.18 5.12 3.52 -0.27 0.16 118.95 131.23 1n1l s ARG 118 Ca 0.24 1.43 -0.14 0.00 -0.13 0.00 0.00 55.73 57.12 1n1l s ARG 118 Cb -0.16 -3.57 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 1n1l s ARG 118 CO 0.12 -0.42 -0.12 0.54 -0.81 0.00 0.00 175.30 174.61 1n1l n ARG 119 N 5.38 0.51 0.00 5.12 5.12 0.49 -4.92 116.66 128.36 1n1l n ARG 119 Ca 0.10 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1n1l n ARG 119 Cb 0.48 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1n1l n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n1l n GLY 120 N 1.51 5.41 0.25 -0.13 0.00 -0.96 -4.99 105.19 106.29 1n1l n GLY 120 Ca -0.19 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 1n1l n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n1l h ASP 121 N 0.00 -0.69 0.00 1.61 5.19 -2.00 -3.27 116.42 117.27 1n1l h ASP 121 Ca 0.00 0.18 -0.06 0.00 -0.62 0.00 0.00 57.03 56.52 1n1l h ASP 121 Cb 0.00 0.40 -0.14 0.00 0.18 0.00 0.00 39.33 39.77 1n1l h ASP 121 CO 0.00 -0.23 -0.62 -1.54 -3.12 0.00 0.00 179.24 173.73 1n1l n SER 122 N -5.40 1.30 -3.88 6.45 3.41 -1.26 -4.63 113.62 109.60 1n1l n SER 122 Ca 0.05 -2.82 -0.11 0.00 -0.26 0.00 0.00 58.87 55.72 1n1l n SER 122 Cb 0.31 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 1n1l n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1n1l s ARG 123 N -1.55 0.37 0.09 4.33 3.52 -1.23 -1.45 118.95 123.02 1n1l s ARG 123 Ca 0.30 -0.28 -0.11 0.00 -0.13 0.00 0.00 55.73 55.51 1n1l s ARG 123 Cb 0.31 0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1n1l s ARG 123 CO -0.08 -0.08 0.25 0.20 -0.81 0.00 0.00 175.30 174.78 1n1l s GLY 124 N -1.02 -0.01 -0.10 8.12 0.00 -0.75 -0.38 107.32 113.17 1n1l s GLY 124 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1n1l s GLY 124 CO 0.01 -0.63 -0.11 -1.35 0.00 0.00 0.00 173.10 171.02 1n1l s SER 125 N -2.74 4.23 0.26 1.64 1.04 0.12 -0.69 113.70 117.56 1n1l s SER 125 Ca 0.03 -0.22 -0.31 0.00 0.48 0.00 0.00 55.95 55.94 1n1l s SER 125 Cb 0.03 -1.38 -0.13 0.00 0.10 0.00 0.00 66.02 64.64 1n1l s SER 125 CO -0.10 0.24 1.41 0.18 0.98 0.00 0.00 173.24 175.95 1n1l n LEU 126 N 3.03 3.32 0.00 2.42 4.77 -0.38 -0.83 117.00 129.32 1n1l n LEU 126 Ca -0.18 1.15 0.09 0.00 -0.03 0.00 0.00 56.01 57.05 1n1l n LEU 126 Cb 0.53 -1.46 0.41 0.00 -2.33 0.00 0.00 43.42 40.57 1n1l n LEU 126 CO 0.29 -0.41 0.80 0.18 -1.33 0.00 0.00 177.39 176.92 1n1l n LEU 127 N 1.97 0.00 -3.14 2.23 4.77 -1.01 -4.51 117.00 117.30 1n1l n LEU 127 Ca 0.10 0.48 0.03 0.00 -0.03 0.00 0.00 56.01 56.60 1n1l n LEU 127 Cb 0.33 -0.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1n1l n LEU 127 CO 0.63 -0.17 0.18 -0.55 -1.33 0.00 0.00 177.39 176.14 1n1l s SER 128 N -2.97 -1.35 0.45 -1.43 0.15 -1.26 -5.12 113.70 102.17 1n1l s SER 128 Ca 0.10 -0.19 -0.24 0.00 0.70 0.00 0.00 55.95 56.31 1n1l s SER 128 Cb 0.12 1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 66.15 1n1l s SER 128 CO 0.34 -0.21 1.26 -2.84 1.20 0.00 0.00 173.24 173.00 1n1l s PRO 129 N 2.43 3.72 0.13 5.44 0.02 -1.26 -5.03 135.00 140.44 1n1l s PRO 129 Ca 0.15 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.27 1n1l s PRO 129 Cb -0.06 -2.53 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 1n1l s PRO 129 CO -0.18 -0.66 -0.17 1.03 -0.33 0.00 0.00 177.00 176.69 1n1l s ARG 130 N -2.54 1.10 0.92 5.54 1.81 -0.72 -4.95 118.95 120.12 1n1l s ARG 130 Ca 0.62 -1.25 -0.12 0.00 -1.72 0.00 0.00 55.73 53.26 1n1l s ARG 130 Cb -0.35 -1.12 0.07 0.00 -0.45 0.00 0.00 34.95 33.10 1n1l s ARG 130 CO 0.44 0.23 0.67 -0.35 -0.68 0.00 0.00 175.30 175.61 1n1l n PRO 131 N 0.62 -0.30 -0.19 3.54 -0.04 -1.26 0.17 135.00 137.54 1n1l n PRO 131 Ca -0.16 -0.03 -0.08 0.00 -0.04 0.00 0.00 63.50 63.18 1n1l n PRO 131 Cb 0.56 -2.04 0.02 0.00 -0.04 0.00 0.00 33.50 32.00 1n1l n PRO 131 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 1n1l h ILE 132 N -1.58 1.24 -0.42 0.52 2.10 -1.69 -2.92 117.51 114.75 1n1l h ILE 132 Ca -0.43 -0.80 0.09 0.00 1.08 0.00 0.00 64.86 64.79 1n1l h ILE 132 Cb 1.28 0.72 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1n1l h ILE 132 CO 0.37 0.30 0.29 0.77 -1.08 0.00 0.00 178.15 178.80 1n1l h SER 133 N 0.76 0.16 -0.84 2.19 4.64 -1.91 -1.97 113.55 116.59 1n1l h SER 133 Ca 0.18 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.65 1n1l h SER 133 Cb 0.29 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 1n1l h SER 133 CO -0.00 0.10 0.55 0.22 -0.87 0.00 0.00 176.83 176.83 1n1l h TYR 134 N 0.18 0.66 -0.02 4.77 5.03 -1.87 -0.80 116.97 124.91 1n1l h TYR 134 Ca 0.19 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1n1l h TYR 134 Cb 0.53 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.60 1n1l h TYR 134 CO -0.00 0.24 -0.01 1.28 -1.32 0.00 0.00 178.16 178.35 1n1l n LEU 135 N -4.52 2.47 -4.66 2.82 4.77 -0.75 -4.95 117.00 112.18 1n1l n LEU 135 Ca 0.16 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.90 1n1l n LEU 135 Cb 0.52 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1n1l n LEU 135 CO 0.31 0.41 1.56 -0.75 -1.33 0.00 0.00 177.39 177.59 1n1l s LYS 136 N -2.01 4.07 0.00 3.23 2.36 -0.31 -2.42 119.74 124.66 1n1l s LYS 136 Ca 0.31 2.46 0.00 0.00 -2.55 0.00 0.00 55.97 56.19 1n1l s LYS 136 Cb 0.20 -4.14 0.00 0.00 -1.05 0.00 0.00 37.83 32.85 1n1l s LYS 136 CO 0.32 -1.02 0.00 0.41 1.55 0.00 0.00 175.35 176.61 1n1l n GLY 137 N 4.54 0.76 0.03 5.54 0.00 -1.26 -4.94 105.19 109.86 1n1l n GLY 137 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1n1l n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n1l n SER 138 N 1.51 1.13 -4.77 1.61 7.64 -1.02 -4.15 113.62 115.57 1n1l n SER 138 Ca 0.00 -1.10 -0.39 0.00 1.01 0.00 0.00 58.87 58.39 1n1l n SER 138 Cb 0.39 -0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.58 1n1l n SER 138 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1n1l s SER 139 N -0.13 6.29 0.00 6.43 1.04 -1.26 -1.18 113.70 124.89 1n1l s SER 139 Ca 0.01 2.53 0.00 0.00 0.48 0.00 0.00 55.95 58.97 1n1l s SER 139 Cb 0.01 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1n1l s SER 139 CO 0.01 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1n1l n GLY 140 N 0.65 2.81 3.59 7.32 0.00 0.46 -1.85 105.19 118.17 1n1l n GLY 140 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1n1l n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n1l s GLY 141 N -2.73 1.59 0.30 -0.02 0.00 -0.32 -3.59 107.32 102.55 1n1l s GLY 141 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 1n1l s GLY 141 CO 0.00 0.60 0.54 2.56 0.00 0.00 0.00 173.10 176.81 1n1l s PRO 142 N -4.64 3.58 -0.21 2.90 0.04 -1.26 -0.50 135.00 134.91 1n1l s PRO 142 Ca 0.67 -0.10 -0.04 0.00 0.04 0.00 0.00 61.00 61.57 1n1l s PRO 142 Cb -0.22 -2.66 -0.01 0.00 0.04 0.00 0.00 34.50 31.64 1n1l s PRO 142 CO 0.61 0.20 -0.03 -0.51 0.04 0.00 0.00 177.00 177.31 1n1l s LEU 143 N -3.74 3.02 -0.02 -3.56 1.02 -0.05 -2.51 118.68 112.84 1n1l s LEU 143 Ca 0.43 -0.32 0.00 0.00 0.02 0.00 0.00 54.13 54.26 1n1l s LEU 143 Cb -0.10 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.30 1n1l s LEU 143 CO 0.32 0.02 0.03 -0.76 0.02 0.00 0.00 176.35 175.98 1n1l s LEU 144 N 1.25 3.68 0.00 1.79 1.43 0.14 0.06 118.68 127.03 1n1l s LEU 144 Ca 0.03 0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 1n1l s LEU 144 Cb -0.14 -2.08 0.25 0.00 0.03 0.00 0.00 46.19 44.25 1n1l s LEU 144 CO -0.01 0.30 1.20 0.00 0.23 0.00 0.00 176.35 178.07 1n1l h PRO 146 N 0.00 0.56 0.00 0.00 0.11 -1.91 -0.76 132.00 129.99 1n1l h PRO 146 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n1l h PRO 146 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1n1l h PRO 146 CO 0.28 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 1n1l n ALA 147 N -2.48 2.10 -1.12 -0.75 0.00 -1.26 -4.88 120.51 112.11 1n1l n ALA 147 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1n1l n ALA 147 Cb 0.30 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1n1l n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n1l n GLY 148 N 0.00 0.62 3.87 0.00 0.00 -0.29 -5.04 105.19 104.35 1n1l n GLY 148 Ca 0.12 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1n1l n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n1l s HIS 149 N -1.84 3.49 -0.03 1.61 3.76 -1.26 -4.83 115.29 116.19 1n1l s HIS 149 Ca 0.00 1.12 -0.30 0.00 -0.15 0.00 0.00 55.06 55.73 1n1l s HIS 149 Cb 0.00 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 1n1l s HIS 149 CO 0.00 -0.22 1.22 0.00 -0.85 0.00 0.00 174.74 174.89 1n1l s ALA 150 N -2.52 3.48 -0.17 -1.40 0.00 0.35 -1.64 121.76 119.87 1n1l s ALA 150 Ca 0.53 0.70 0.15 0.00 0.00 0.00 0.00 51.96 53.33 1n1l s ALA 150 Cb -0.10 -3.51 -0.21 0.00 0.00 0.00 0.00 23.12 19.30 1n1l s ALA 150 CO 0.34 -0.71 0.06 0.28 0.00 0.00 0.00 175.76 175.73 1n1l n VAL 151 N 4.48 1.16 -1.20 0.00 0.31 0.11 0.38 118.33 123.56 1n1l n VAL 151 Ca 0.11 -0.72 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1n1l n VAL 151 Cb 0.46 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 1n1l n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n1l n GLY 152 N 1.96 -1.22 3.45 2.92 0.00 -1.18 -0.63 105.19 110.49 1n1l n GLY 152 Ca -0.28 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 1n1l n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n1l s LEU 153 N 0.00 3.20 -0.45 0.99 1.43 -0.66 -0.87 118.68 122.32 1n1l s LEU 153 Ca 0.00 -0.20 -0.41 0.00 -1.03 0.00 0.00 54.13 52.49 1n1l s LEU 153 Cb 0.00 -1.80 -0.17 0.00 0.03 0.00 0.00 46.19 44.26 1n1l s LEU 153 CO 0.00 0.10 2.15 0.33 0.23 0.00 0.00 176.35 179.15 1n1l n PHE 154 N 4.02 1.32 -0.08 0.29 7.35 0.34 -0.68 117.46 130.02 1n1l n PHE 154 Ca -0.17 0.61 -0.10 0.00 -0.76 0.00 0.00 57.45 57.03 1n1l n PHE 154 Cb 0.52 -2.37 -0.05 0.00 0.35 0.00 0.00 39.48 37.93 1n1l n PHE 154 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1n1l h ARG 155 N 10.02 0.00 -2.27 -4.13 2.43 -1.29 0.13 114.38 119.27 1n1l h ARG 155 Ca -0.16 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1n1l h ARG 155 Cb 1.39 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.74 1n1l h ARG 155 CO 1.06 0.33 0.07 0.00 -1.51 0.00 0.00 179.97 179.92 1n1l s ALA 156 N -2.60 -1.51 0.42 2.80 0.00 -0.98 -4.78 121.76 115.11 1n1l s ALA 156 Ca -0.19 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 1n1l s ALA 156 Cb 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 1n1l s ALA 156 CO 0.33 -0.34 1.20 0.00 0.00 0.00 0.00 175.76 176.95 1n1l s ALA 157 N -1.23 3.10 -0.38 0.00 0.00 -1.26 -0.30 121.76 121.69 1n1l s ALA 157 Ca -0.12 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.78 1n1l s ALA 157 Cb -0.01 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.76 1n1l s ALA 157 CO 0.08 -0.64 0.19 0.08 0.00 0.00 0.00 175.76 175.47 1n1l s VAL 158 N -1.43 4.00 0.10 0.00 1.01 -0.29 -4.82 120.40 118.98 1n1l s VAL 158 Ca 0.59 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1n1l s VAL 158 Cb -0.31 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1n1l s VAL 158 CO 0.39 -0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.08 1n1l s THR 160 N -1.30 0.27 -1.00 0.00 2.01 -0.68 -4.91 115.64 110.03 1n1l s THR 160 Ca 0.24 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1n1l s THR 160 Cb -0.11 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1n1l s THR 160 CO 0.17 -0.74 0.76 0.54 -0.69 0.00 0.00 174.62 174.67 1n1l n ARG 161 N 5.01 -1.40 -1.20 4.92 1.74 -1.26 -2.44 116.66 122.04 1n1l n ARG 161 Ca -0.03 0.75 -0.07 0.00 -0.77 0.00 0.00 57.85 57.73 1n1l n ARG 161 Cb 0.41 -4.37 -0.03 0.00 -1.02 0.00 0.00 32.46 27.46 1n1l n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n1l n GLY 162 N -1.64 0.79 3.05 -0.13 0.00 -1.26 -4.98 105.19 101.01 1n1l n GLY 162 Ca -0.10 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1n1l n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1l s VAL 163 N -1.90 1.35 -0.16 1.61 1.01 -1.02 -1.83 120.40 119.46 1n1l s VAL 163 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1n1l s VAL 163 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1n1l s VAL 163 CO 0.00 0.41 0.14 -0.89 0.00 0.00 0.00 175.10 174.76 1n1l s THR 164 N 0.82 5.45 0.00 3.92 2.01 0.13 -1.69 115.64 126.28 1n1l s THR 164 Ca -0.11 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1n1l s THR 164 Cb -0.15 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1n1l s THR 164 CO 0.02 0.53 0.00 0.29 -0.69 0.00 0.00 174.62 174.76 1n1l n LYS 165 N 2.77 3.50 -3.91 4.92 5.02 -1.12 -1.75 118.16 127.59 1n1l n LYS 165 Ca -0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.01 1n1l n LYS 165 Cb 0.53 -0.38 -0.01 0.00 -0.02 0.00 0.00 35.03 35.15 1n1l n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n1l s ALA 166 N -0.65 -0.44 -0.06 7.82 0.00 -1.24 -1.26 121.76 125.93 1n1l s ALA 166 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 1n1l s ALA 166 Cb 0.00 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1n1l s ALA 166 CO 0.00 -0.93 0.22 0.14 0.00 0.00 0.00 175.76 175.19 1n1l s VAL 167 N -3.11 0.02 0.23 0.00 -7.23 0.14 -1.13 120.40 109.31 1n1l s VAL 167 Ca 0.19 -0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.05 1n1l s VAL 167 Cb -0.04 -0.39 -0.07 0.00 0.56 0.00 0.00 36.38 36.44 1n1l s VAL 167 CO 0.12 -0.11 0.57 -1.81 -0.31 0.00 0.00 175.10 173.56 1n1l s ASP 168 N -0.36 6.67 0.10 4.85 1.01 0.59 -1.81 116.67 127.73 1n1l s ASP 168 Ca -0.05 0.98 -0.06 0.00 0.71 0.00 0.00 52.55 54.14 1n1l s ASP 168 Cb -0.03 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1n1l s ASP 168 CO 0.01 -0.06 0.14 0.72 0.21 0.00 0.00 175.17 176.19 1n1l s PHE 169 N -1.79 0.40 -0.36 4.23 -0.12 -0.53 -0.81 117.98 119.00 1n1l s PHE 169 Ca 0.47 -0.83 -0.19 0.00 -0.05 0.00 0.00 56.93 56.32 1n1l s PHE 169 Cb -0.12 -0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 1n1l s PHE 169 CO 0.20 -0.55 0.57 0.42 -0.05 0.00 0.00 175.22 175.82 1n1l s ILE 170 N -3.93 4.95 0.35 -4.49 1.01 0.15 -4.62 121.20 114.62 1n1l s ILE 170 Ca 0.11 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 60.87 1n1l s ILE 170 Cb 0.06 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 1n1l s ILE 170 CO -0.06 -0.30 1.51 -2.65 0.00 0.00 0.00 174.94 173.44 1n1l n PRO 171 N 5.91 2.66 0.18 2.79 -0.02 -1.26 -1.66 135.00 143.60 1n1l n PRO 171 Ca -0.03 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.57 1n1l n PRO 171 Cb 0.49 -2.68 0.81 0.00 -0.02 0.00 0.00 33.50 32.10 1n1l n PRO 171 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1n1l h VAL 172 N 3.04 0.35 -0.80 -1.45 3.04 -1.19 -0.35 116.25 118.90 1n1l h VAL 172 Ca -0.49 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 1n1l h VAL 172 Cb 1.24 0.74 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 1n1l h VAL 172 CO 0.68 0.00 0.39 -0.33 -1.01 0.00 0.00 177.57 177.30 1n1l h GLU 173 N 0.00 1.14 -0.71 4.17 3.07 -1.88 -1.40 114.58 118.98 1n1l h GLU 173 Ca 0.11 -0.17 0.10 0.00 -0.50 0.00 0.00 59.36 58.91 1n1l h GLU 173 Cb 0.73 -0.21 -0.08 0.00 -0.84 0.00 0.00 28.75 28.36 1n1l h GLU 173 CO -0.00 0.88 0.33 -0.91 -1.40 0.00 0.00 179.01 177.91 1n1l h ASN 174 N 1.12 0.39 -0.05 1.42 -0.26 -1.40 0.13 115.58 116.93 1n1l h ASN 174 Ca 0.27 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1n1l h ASN 174 Cb 0.11 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1n1l h ASN 174 CO -0.04 0.21 0.03 -0.07 -1.06 0.00 0.00 177.43 176.50 1n1l h LEU 175 N 0.54 0.06 -0.67 1.61 3.38 -1.46 -0.76 115.31 118.02 1n1l h LEU 175 Ca 0.36 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.32 1n1l h LEU 175 Cb 0.43 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1n1l h LEU 175 CO -0.31 0.12 0.36 -0.33 0.09 0.00 0.00 178.44 178.37 1n1l h GLU 176 N 0.00 0.64 -0.18 1.13 5.08 -0.47 -2.24 114.58 118.54 1n1l h GLU 176 Ca 0.02 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1n1l h GLU 176 Cb 0.07 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1n1l h GLU 176 CO -0.00 0.42 -0.58 1.79 -1.00 0.00 0.00 179.01 179.64 1n1l h THR 177 N 0.66 1.31 -1.03 1.13 1.35 -0.82 -3.07 112.91 112.43 1n1l h THR 177 Ca 0.30 -1.81 0.26 0.00 -0.55 0.00 0.00 66.41 64.61 1n1l h THR 177 Cb 0.22 1.94 -0.11 0.00 -1.73 0.00 0.00 68.15 68.47 1n1l h THR 177 CO -0.20 0.57 0.65 0.74 -0.25 0.00 0.00 175.52 177.03 1n1l h THR 178 N 0.41 0.52 0.00 6.82 2.02 -0.75 0.17 112.91 122.10 1n1l h THR 178 Ca -0.02 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1n1l h THR 178 Cb 1.21 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1n1l h THR 178 CO 0.12 0.08 0.00 0.23 0.37 0.00 0.00 175.52 176.33 1n1l n MET 179 N -4.72 0.05 0.00 6.66 2.00 -0.88 -5.06 117.12 115.18 1n1l n MET 179 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 57.70 58.12 1n1l n MET 179 Cb 0.84 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.56 1n1l n MET 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51