#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6pad n PRO 2 N 0.00 -0.43 0.13 0.38 -0.04 -1.26 -4.87 135.00 128.90 6pad n PRO 2 Ca 0.00 -0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 6pad n PRO 2 Cb 0.00 -1.43 0.16 0.00 -0.04 0.00 0.00 33.50 32.19 6pad n PRO 2 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 6pad h GLU 3 N -1.41 0.00 -4.07 0.54 4.81 -2.01 -3.44 114.58 109.00 6pad h GLU 3 Ca -0.45 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.42 6pad h GLU 3 Cb 1.32 0.00 -0.32 0.00 0.63 0.00 0.00 28.75 30.39 6pad h GLU 3 CO 0.30 0.00 -0.76 0.71 -0.73 0.00 0.00 179.01 178.53 6pad s TYR 4 N -3.22 0.54 -0.31 0.92 2.02 -1.26 -3.61 117.35 112.43 6pad s TYR 4 Ca 0.05 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.63 6pad s TYR 4 Cb 0.10 -0.47 0.10 0.00 -0.40 0.00 0.00 41.96 41.29 6pad s TYR 4 CO 0.70 -0.11 0.12 0.08 -1.57 0.00 0.00 175.55 174.78 6pad s VAL 5 N 0.54 0.68 -0.13 0.71 1.01 -0.86 -5.00 120.40 117.34 6pad s VAL 5 Ca -0.06 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 60.60 6pad s VAL 5 Cb -0.10 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.78 6pad s VAL 5 CO -0.00 -0.71 -0.17 -0.62 0.00 0.00 0.00 175.10 173.60 6pad s ASP 6 N 1.64 2.72 0.03 3.32 -1.08 -1.26 -1.53 116.67 120.50 6pad s ASP 6 Ca 0.10 -0.50 0.23 0.00 -0.52 0.00 0.00 52.55 51.86 6pad s ASP 6 Cb -0.18 -1.23 0.08 0.00 -1.46 0.00 0.00 42.92 40.13 6pad s ASP 6 CO -0.26 0.01 1.07 0.79 0.52 0.00 0.00 175.17 177.31 6pad n TRP 7 N 4.34 0.15 0.42 -5.34 5.03 -1.20 -4.05 117.44 116.79 6pad n TRP 7 Ca -0.19 0.04 -0.16 0.00 3.03 0.00 0.00 57.50 60.22 6pad n TRP 7 Cb 0.51 -0.30 -0.08 0.00 -1.03 0.00 0.00 31.31 30.41 6pad n TRP 7 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 6pad h ARG 8 N 0.00 -1.03 0.00 -0.99 3.08 -1.90 -1.31 114.38 112.22 6pad h ARG 8 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 6pad h ARG 8 Cb 0.64 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.92 6pad h ARG 8 CO 0.00 -0.69 0.00 0.00 -1.07 0.00 0.00 179.97 178.21 6pad n GLN 9 N -5.04 0.66 -0.00 0.04 10.64 -1.26 -1.45 117.38 120.97 6pad n GLN 9 Ca -0.13 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.11 6pad n GLN 9 Cb 0.42 -1.03 -0.09 0.00 -0.86 0.00 0.00 30.24 28.68 6pad n GLN 9 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 6pad n LYS 10 N -0.53 1.88 -2.79 2.61 4.76 -0.73 -5.00 118.16 118.36 6pad n LYS 10 Ca 0.01 -0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.36 6pad n LYS 10 Cb 0.00 -1.23 0.04 0.00 -1.84 0.00 0.00 35.03 32.00 6pad n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 6pad n GLY 11 N 1.37 0.23 0.03 0.72 0.00 -0.53 -4.98 105.19 102.02 6pad n GLY 11 Ca 0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 6pad n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6pad n ALA 12 N -2.96 1.88 -2.49 4.61 0.00 -0.57 -4.77 120.51 116.20 6pad n ALA 12 Ca -0.05 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.63 6pad n ALA 12 Cb 0.55 0.05 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 6pad n ALA 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 6pad s VAL 13 N -2.22 3.05 0.59 0.00 -7.23 -1.25 -4.19 120.40 109.15 6pad s VAL 13 Ca -0.03 -0.93 0.10 0.00 -1.81 0.00 0.00 61.98 59.30 6pad s VAL 13 Cb 0.02 -2.26 0.09 0.00 0.56 0.00 0.00 36.38 34.80 6pad s VAL 13 CO 0.30 0.45 0.80 0.42 -0.31 0.00 0.00 175.10 176.76 6pad s THR 14 N -0.86 2.04 1.03 5.32 -4.23 -1.26 -4.88 115.64 112.79 6pad s THR 14 Ca 0.14 -1.01 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 6pad s THR 14 Cb -0.11 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 6pad s THR 14 CO 0.04 0.00 -0.46 -0.81 -0.54 0.00 0.00 174.62 172.85 6pad n PRO 15 N -2.27 -0.56 -2.77 3.99 -0.04 -1.26 -4.96 135.00 127.13 6pad n PRO 15 Ca 0.16 -0.15 -0.30 0.00 -0.04 0.00 0.00 63.50 63.17 6pad n PRO 15 Cb 0.62 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 6pad n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 6pad s VAL 16 N -2.17 4.78 0.24 0.52 1.01 -1.26 -5.10 120.40 118.42 6pad s VAL 16 Ca 0.48 0.62 0.01 0.00 0.00 0.00 0.00 61.98 63.09 6pad s VAL 16 Cb -0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 6pad s VAL 16 CO 0.70 -0.59 0.14 -0.54 0.00 0.00 0.00 175.10 174.81 6pad s LYS 17 N -4.00 1.36 -0.03 2.72 1.02 -1.26 -4.93 119.74 114.63 6pad s LYS 17 Ca 0.51 -1.74 0.04 0.00 0.02 0.00 0.00 55.97 54.80 6pad s LYS 17 Cb -0.10 0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 37.29 6pad s LYS 17 CO 0.33 -0.40 -0.13 1.21 -0.92 0.00 0.00 175.35 175.45 6pad s ASN 18 N -3.25 1.62 0.31 2.83 2.47 -1.26 -3.36 114.94 114.30 6pad s ASN 18 Ca 0.38 -0.26 0.17 0.00 0.42 0.00 0.00 52.86 53.58 6pad s ASN 18 Cb 0.06 -0.37 0.24 0.00 -1.45 0.00 0.00 41.25 39.74 6pad s ASN 18 CO 0.15 0.12 1.53 0.06 -3.72 0.00 0.00 177.10 175.23 6pad h GLN 19 N 6.19 0.00 0.00 0.43 3.07 -1.41 -3.49 115.11 119.89 6pad h GLN 19 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.41 6pad h GLN 19 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 6pad h GLN 19 CO 0.48 0.44 0.00 0.41 0.09 0.00 0.00 178.83 180.25 6pad n GLY 20 N 0.98 -0.27 1.18 0.06 0.00 -1.26 -3.37 105.19 102.52 6pad n GLY 20 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.99 6pad n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 6pad n SER 21 N 0.01 2.83 -4.12 1.61 2.88 -1.26 -4.66 113.62 110.92 6pad n SER 21 Ca 0.00 -1.69 -0.32 0.00 -1.33 0.00 0.00 58.87 55.53 6pad n SER 21 Cb 0.00 -0.53 -0.16 0.00 -0.75 0.00 0.00 64.21 62.77 6pad n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 6pad n GLY 23 N 4.41 2.94 0.45 0.00 0.00 -1.26 -4.51 105.19 107.22 6pad n GLY 23 Ca -0.20 -1.55 0.01 0.00 0.00 0.00 0.00 46.02 44.29 6pad n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 6pad n SER 24 N 7.76 0.35 0.00 1.61 3.41 -1.26 0.23 113.62 125.72 6pad n SER 24 Ca 0.48 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 6pad n SER 24 Cb 0.45 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 6pad n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 6pad h TRP 26 N 0.00 0.64 0.00 0.00 5.08 -1.91 0.30 115.95 120.06 6pad h TRP 26 Ca 0.00 -0.08 -0.11 0.00 1.08 0.00 0.00 58.89 59.78 6pad h TRP 26 Cb 0.00 -0.18 -0.02 0.00 -3.00 0.00 0.00 29.16 25.96 6pad h TRP 26 CO 0.00 0.63 -0.54 0.00 -1.28 0.00 0.00 178.44 177.25 6pad h ALA 27 N 0.93 1.01 0.01 0.11 0.00 -1.75 -2.56 119.26 117.01 6pad h ALA 27 Ca 0.12 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 6pad h ALA 27 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 6pad h ALA 27 CO 0.00 0.67 -0.58 0.74 0.00 0.00 0.00 179.25 180.09 6pad h PHE 28 N 0.00 0.57 -0.64 0.00 -1.00 -1.44 -2.58 116.94 111.86 6pad h PHE 28 Ca -0.01 -0.32 0.05 0.00 2.81 0.00 0.00 57.97 60.51 6pad h PHE 28 Cb 1.02 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.46 6pad h PHE 28 CO 0.00 1.14 0.35 1.03 -1.61 0.00 0.00 178.31 179.22 6pad h SER 29 N -0.15 0.52 0.40 2.17 0.87 -0.94 -2.89 113.55 113.53 6pad h SER 29 Ca -0.07 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 6pad h SER 29 Cb 1.30 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 6pad h SER 29 CO 0.11 0.34 -0.19 0.00 -0.53 0.00 0.00 176.83 176.56 6pad h ALA 30 N 1.33 -0.53 -0.96 6.23 0.00 -1.49 -2.39 119.26 121.45 6pad h ALA 30 Ca 0.28 -0.13 0.27 0.00 0.00 0.00 0.00 54.91 55.33 6pad h ALA 30 Cb 0.17 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 6pad h ALA 30 CO -0.17 -0.77 0.68 -0.39 0.00 0.00 0.00 179.25 178.59 6pad h VAL 31 N -0.59 0.53 0.12 0.00 -1.51 -1.32 0.52 116.25 114.01 6pad h VAL 31 Ca -0.05 -0.02 -0.28 0.00 -1.23 0.00 0.00 66.70 65.12 6pad h VAL 31 Cb 0.44 0.47 0.02 0.00 -2.13 0.00 0.00 31.29 30.09 6pad h VAL 31 CO 0.09 0.01 -1.22 -0.37 -1.23 0.00 0.00 177.57 174.85 6pad h VAL 32 N 0.06 1.40 0.14 7.19 -1.51 -1.38 -1.81 116.25 120.33 6pad h VAL 32 Ca 0.47 -2.74 -0.01 0.00 -1.23 0.00 0.00 66.70 63.18 6pad h VAL 32 Cb 1.76 2.80 0.00 0.00 -2.13 0.00 0.00 31.29 33.72 6pad h VAL 32 CO -0.04 0.81 -0.07 0.71 -1.23 0.00 0.00 177.57 177.76 6pad h THR 33 N 0.16 0.00 -0.42 7.19 1.35 0.44 -0.81 112.91 120.83 6pad h THR 33 Ca -0.15 -0.03 0.08 0.00 -0.55 0.00 0.00 66.41 65.76 6pad h THR 33 Cb 1.91 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 68.24 6pad h THR 33 CO 0.22 0.00 -0.31 0.40 -0.25 0.00 0.00 175.52 175.58 6pad h ILE 34 N -0.22 0.25 -0.83 6.82 2.04 -1.05 -2.02 117.51 122.51 6pad h ILE 34 Ca -0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.92 6pad h ILE 34 Cb 0.15 0.25 -0.10 0.00 -0.74 0.00 0.00 36.82 36.37 6pad h ILE 34 CO 0.03 0.00 -0.51 -0.08 0.00 0.00 0.00 178.15 177.59 6pad h GLU 35 N -0.22 -0.02 -0.51 2.37 4.81 -1.34 0.59 114.58 120.25 6pad h GLU 35 Ca 0.18 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 6pad h GLU 35 Cb 0.53 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.82 6pad h GLU 35 CO -0.54 -0.02 -0.54 0.78 -0.73 0.00 0.00 179.01 177.96 6pad h GLY 36 N -0.02 -0.89 0.64 1.92 0.00 -0.39 -1.32 103.07 103.00 6pad h GLY 36 Ca 0.13 0.70 0.07 0.00 0.00 0.00 0.00 47.33 48.24 6pad h GLY 36 CO -0.79 -0.10 0.44 1.19 0.00 0.00 0.00 176.54 177.27 6pad h ILE 37 N -0.32 0.96 -0.34 2.60 6.09 -1.16 -0.88 117.51 124.45 6pad h ILE 37 Ca 0.10 -0.27 0.10 0.00 -1.37 0.00 0.00 64.86 63.42 6pad h ILE 37 Cb 0.57 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.96 6pad h ILE 37 CO -0.66 0.14 0.25 0.40 -3.07 0.00 0.00 178.15 175.22 6pad h ILE 38 N 0.78 0.81 0.00 2.19 1.08 0.20 -1.71 117.51 120.86 6pad h ILE 38 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 6pad h ILE 38 Cb 0.24 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 6pad h ILE 38 CO -0.20 0.00 -1.49 1.17 -0.69 0.00 0.00 178.15 176.94 6pad n LYS 39 N -4.41 0.63 0.25 2.37 0.00 -0.71 -3.80 118.16 112.49 6pad n LYS 39 Ca 0.05 -0.04 0.12 0.00 0.00 0.00 0.00 58.31 58.44 6pad n LYS 39 Cb 0.43 -1.68 0.61 0.00 0.00 0.00 0.00 35.03 34.39 6pad n LYS 39 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 6pad h ILE 40 N 0.00 0.53 0.00 3.15 1.08 -0.23 -2.83 117.51 119.21 6pad h ILE 40 Ca 0.00 -0.81 -0.06 0.00 -0.39 0.00 0.00 64.86 63.60 6pad h ILE 40 Cb 1.00 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 6pad h ILE 40 CO 0.00 0.16 -0.80 0.54 -0.69 0.00 0.00 178.15 177.36 6pad n ARG 41 N -3.48 0.22 -0.09 2.37 5.12 -1.21 -4.78 116.66 114.80 6pad n ARG 41 Ca -0.01 0.09 -0.02 0.00 -1.93 0.00 0.00 57.85 55.98 6pad n ARG 41 Cb 0.33 -0.88 0.23 0.00 -1.16 0.00 0.00 32.46 30.98 6pad n ARG 41 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 6pad h THR 42 N -0.40 1.21 -0.37 0.55 1.35 -1.75 -3.47 112.91 110.05 6pad h THR 42 Ca -0.09 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 6pad h THR 42 Cb 0.68 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 6pad h THR 42 CO -0.06 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 6pad n GLY 43 N -0.88 0.72 2.77 5.82 0.00 -1.07 -5.05 105.19 107.50 6pad n GLY 43 Ca 0.03 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 6pad n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 6pad s ASN 44 N -2.89 3.25 -0.04 1.61 0.02 -1.26 -5.06 114.94 110.58 6pad s ASN 44 Ca 0.00 -1.00 -0.29 0.00 -1.02 0.00 0.00 52.86 50.55 6pad s ASN 44 Cb 0.00 -0.74 -0.03 0.00 0.02 0.00 0.00 41.25 40.50 6pad s ASN 44 CO 0.00 -0.31 0.95 -0.22 0.02 0.00 0.00 177.10 177.54 6pad s LEU 45 N 1.74 4.33 0.05 0.60 2.96 -1.26 -3.87 118.68 123.23 6pad s LEU 45 Ca -0.00 1.56 0.01 0.00 -0.22 0.00 0.00 54.13 55.48 6pad s LEU 45 Cb -0.17 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 6pad s LEU 45 CO -0.10 -0.29 -0.06 0.20 -1.32 0.00 0.00 176.35 174.78 6pad s ASN 46 N 1.01 0.72 -0.35 3.68 0.02 -1.26 -5.09 114.94 113.67 6pad s ASN 46 Ca 0.49 -0.64 -0.05 0.00 -1.02 0.00 0.00 52.86 51.64 6pad s ASN 46 Cb -0.20 0.07 0.06 0.00 0.02 0.00 0.00 41.25 41.20 6pad s ASN 46 CO 0.24 -0.30 0.11 -1.58 0.02 0.00 0.00 177.10 175.59 6pad s GLN 47 N -2.06 2.48 0.26 -0.60 0.74 -1.26 -4.86 119.66 114.36 6pad s GLN 47 Ca -0.07 -1.32 0.00 0.00 0.05 0.00 0.00 55.36 54.02 6pad s GLN 47 Cb -0.06 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 6pad s GLN 47 CO -0.01 -0.74 0.45 0.71 -0.55 0.00 0.00 175.29 175.14 6pad s TYR 48 N 1.33 3.48 -0.01 1.67 1.51 -1.26 0.30 117.35 124.37 6pad s TYR 48 Ca -0.01 0.30 -0.30 0.00 -1.01 0.00 0.00 57.07 56.05 6pad s TYR 48 Cb -0.20 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 6pad s TYR 48 CO 0.01 0.29 1.03 0.45 -1.11 0.00 0.00 175.55 176.21 6pad s SER 49 N -3.61 7.29 -0.11 2.29 0.15 -0.09 -4.29 113.70 115.34 6pad s SER 49 Ca 0.38 1.70 0.12 0.00 0.70 0.00 0.00 55.95 58.86 6pad s SER 49 Cb -0.10 -2.57 -0.24 0.00 -1.71 0.00 0.00 66.02 61.40 6pad s SER 49 CO 0.31 -0.34 0.42 -0.62 1.20 0.00 0.00 173.24 174.22 6pad n GLU 50 N 4.14 0.66 -0.25 5.44 4.71 -1.26 -4.05 120.64 130.03 6pad n GLU 50 Ca 0.07 0.19 0.03 0.00 -0.01 0.00 0.00 57.16 57.44 6pad n GLU 50 Cb 0.50 -1.69 0.16 0.00 -1.01 0.00 0.00 31.44 29.39 6pad n GLU 50 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 6pad h GLN 51 N 0.01 0.49 -0.31 3.49 5.75 -1.83 -0.57 115.11 122.14 6pad h GLN 51 Ca -0.39 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.10 6pad h GLN 51 Cb 2.09 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 30.50 6pad h GLN 51 CO 0.06 0.33 0.15 1.49 -2.65 0.00 0.00 178.83 178.21 6pad h GLU 52 N 0.51 0.31 -0.51 1.69 4.81 -1.76 -1.30 114.58 118.32 6pad h GLU 52 Ca 0.38 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.67 6pad h GLU 52 Cb 0.49 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 6pad h GLU 52 CO -0.33 0.21 0.35 -0.07 -0.73 0.00 0.00 179.01 178.43 6pad h LEU 53 N 0.32 0.32 0.26 1.64 4.07 -1.29 0.12 115.31 120.75 6pad h LEU 53 Ca 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 6pad h LEU 53 Cb 0.05 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.72 6pad h LEU 53 CO -0.09 0.20 -0.13 0.25 -1.08 0.00 0.00 178.44 177.60 6pad h LEU 54 N 0.37 -0.30 -1.53 1.67 6.46 -0.39 -1.83 115.31 119.74 6pad h LEU 54 Ca 0.23 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 6pad h LEU 54 Cb 0.44 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 6pad h LEU 54 CO -0.06 0.17 -0.18 0.44 -0.62 0.00 0.00 178.44 178.19 6pad h ASP 55 N -0.88 0.00 0.09 1.25 3.32 -0.96 -3.31 116.42 115.93 6pad h ASP 55 Ca -0.04 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.66 6pad h ASP 55 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 6pad h ASP 55 CO 0.06 0.18 -2.00 0.00 -1.72 0.00 0.00 179.24 175.76 6pad s ASP 57 N -6.97 6.18 0.06 0.00 -1.08 -0.69 -4.79 116.67 109.39 6pad s ASP 57 Ca -0.25 -0.08 0.23 0.00 -0.52 0.00 0.00 52.55 51.93 6pad s ASP 57 Cb 0.07 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 39.08 6pad s ASP 57 CO 0.72 -1.74 1.08 0.54 0.52 0.00 0.00 175.17 176.29 6pad n ARG 58 N 8.94 0.29 0.14 4.34 5.12 -1.26 -3.67 116.66 130.55 6pad n ARG 58 Ca 0.08 0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 56.00 6pad n ARG 58 Cb 0.49 -1.61 0.17 0.00 -1.16 0.00 0.00 32.46 30.36 6pad n ARG 58 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 6pad h ARG 59 N 0.00 0.00 -6.60 5.56 2.43 -1.97 -3.42 114.38 110.37 6pad h ARG 59 Ca 0.00 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.72 6pad h ARG 59 Cb 0.73 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.31 6pad h ARG 59 CO 0.00 0.61 -0.16 -1.12 -1.51 0.00 0.00 179.97 177.79 6pad s SER 60 N -6.85 5.75 -0.66 -3.80 0.01 -1.24 -4.93 113.70 101.98 6pad s SER 60 Ca -0.01 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.31 6pad s SER 60 Cb 0.13 -1.25 0.38 0.00 0.21 0.00 0.00 66.02 65.49 6pad s SER 60 CO 0.76 -0.72 1.57 -1.22 0.41 0.00 0.00 173.24 174.04 6pad n TYR 61 N -1.99 3.21 0.00 2.43 4.01 -0.42 -4.95 117.16 119.44 6pad n TYR 61 Ca 0.03 -2.74 0.00 0.00 -0.16 0.00 0.00 57.90 55.03 6pad n TYR 61 Cb 0.58 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 6pad n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 6pad n GLY 62 N -0.49 0.15 2.71 2.72 0.00 -1.07 -2.55 105.19 106.65 6pad n GLY 62 Ca 0.46 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 6pad n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6pad n ASN 64 N 4.22 0.00 0.00 0.00 2.04 0.63 -3.99 115.26 118.15 6pad n ASN 64 Ca 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.33 6pad n ASN 64 Cb 0.10 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 6pad n ASN 64 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 6pad n GLY 65 N 0.00 3.53 0.00 4.83 0.00 -0.98 -4.77 105.19 107.80 6pad n GLY 65 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 6pad n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6pad n GLY 66 N -0.43 -1.05 2.75 -0.02 0.00 -1.26 -1.30 105.19 103.87 6pad n GLY 66 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 6pad n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 6pad s TYR 67 N -2.00 1.57 0.65 1.61 1.51 -1.26 -4.96 117.35 114.47 6pad s TYR 67 Ca 0.00 -1.51 0.18 0.00 -1.01 0.00 0.00 57.07 54.73 6pad s TYR 67 Cb 0.00 -1.52 0.91 0.00 -0.11 0.00 0.00 41.96 41.24 6pad s TYR 67 CO 0.00 -0.81 1.50 -1.00 -1.11 0.00 0.00 175.55 174.13 6pad h PRO 68 N 8.12 0.00 0.00 -1.71 0.13 -1.96 3.04 132.00 139.62 6pad h PRO 68 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 6pad h PRO 68 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 6pad h PRO 68 CO 0.43 0.00 -1.44 -2.67 -0.23 0.00 0.00 178.00 174.09 6pad n TRP 69 N -2.87 0.33 -0.00 1.56 4.27 -1.26 -3.38 117.44 116.10 6pad n TRP 69 Ca 0.03 0.10 -0.13 0.00 -3.89 0.00 0.00 57.50 53.61 6pad n TRP 69 Cb 0.78 -0.59 -0.09 0.00 -1.36 0.00 0.00 31.31 30.05 6pad n TRP 69 CO 0.00 0.00 0.00 1.03 -2.29 0.00 0.00 177.69 176.43 6pad h SER 70 N 0.00 0.03 -0.61 -0.67 0.87 0.51 -3.19 113.55 110.49 6pad h SER 70 Ca 0.00 -0.33 0.06 0.00 -1.23 0.00 0.00 61.79 60.29 6pad h SER 70 Cb 0.91 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.78 6pad h SER 70 CO 0.00 0.35 -0.46 0.00 -0.53 0.00 0.00 176.83 176.19 6pad h ALA 71 N 0.68 -0.53 0.12 6.23 0.00 -1.60 0.61 119.26 124.77 6pad h ALA 71 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 6pad h ALA 71 Cb 0.33 1.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 6pad h ALA 71 CO 0.00 -0.81 -0.48 -0.07 0.00 0.00 0.00 179.25 177.88 6pad h LEU 72 N -0.12 -1.44 -0.67 0.00 3.38 -1.71 -0.46 115.31 114.29 6pad h LEU 72 Ca 0.10 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.36 6pad h LEU 72 Cb 0.38 0.54 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 6pad h LEU 72 CO -0.64 -0.53 -0.20 -0.61 0.09 0.00 0.00 178.44 176.55 6pad h GLN 73 N -0.71 -0.02 -0.20 1.13 4.15 -1.39 -0.42 115.11 117.64 6pad h GLN 73 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.46 6pad h GLN 73 Cb 0.73 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.37 6pad h GLN 73 CO -0.27 -0.02 -0.46 1.25 -1.93 0.00 0.00 178.83 177.40 6pad h LEU 74 N -0.03 -1.50 -0.37 -2.39 6.46 0.12 -0.13 115.31 117.47 6pad h LEU 74 Ca 0.31 0.19 0.05 0.00 -0.12 0.00 0.00 57.88 58.31 6pad h LEU 74 Cb 0.51 0.60 -0.08 0.00 -0.73 0.00 0.00 40.66 40.95 6pad h LEU 74 CO -0.70 -0.38 -0.52 0.58 -0.62 0.00 0.00 178.44 176.80 6pad h VAL 75 N -0.43 0.03 -0.75 1.05 2.07 0.44 0.73 116.25 119.38 6pad h VAL 75 Ca 0.04 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.73 6pad h VAL 75 Cb 0.55 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 6pad h VAL 75 CO -0.42 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.35 6pad h ALA 76 N 0.06 0.98 0.49 1.67 0.00 -0.89 0.66 119.26 122.23 6pad h ALA 76 Ca 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 6pad h ALA 76 Cb 0.61 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.64 6pad h ALA 76 CO -0.57 -0.35 -0.23 1.96 0.00 0.00 0.00 179.25 180.06 6pad h GLN 77 N 0.26 -0.63 0.00 0.00 4.20 0.30 -3.43 115.11 115.82 6pad h GLN 77 Ca 0.43 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.18 6pad h GLN 77 Cb 0.74 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.67 6pad h GLN 77 CO -0.53 -0.33 0.00 0.66 -0.67 0.00 0.00 178.83 177.97 6pad n TYR 78 N -5.27 0.00 -3.24 2.96 4.01 0.24 -5.10 117.16 110.76 6pad n TYR 78 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 6pad n TYR 78 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 6pad n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 6pad n GLY 79 N 2.64 -0.51 3.62 2.72 0.00 0.23 -4.86 105.19 109.02 6pad n GLY 79 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 6pad n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 6pad s ILE 80 N -3.15 0.00 0.68 -0.61 2.07 0.14 -3.99 121.20 116.35 6pad s ILE 80 Ca 0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 6pad s ILE 80 Cb 0.00 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.69 6pad s ILE 80 CO 0.00 0.00 0.95 -1.00 -1.91 0.00 0.00 174.94 172.98 6pad s HIS 81 N -0.02 2.06 1.00 3.50 3.76 -1.26 -1.30 115.29 123.03 6pad s HIS 81 Ca 0.00 -0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 54.66 6pad s HIS 81 Cb -0.04 -2.98 0.19 0.00 1.11 0.00 0.00 32.58 30.86 6pad s HIS 81 CO -0.01 -1.48 1.11 0.71 -0.85 0.00 0.00 174.74 174.22 6pad s TYR 82 N -3.07 2.02 -0.64 1.40 2.02 -1.26 -0.91 117.35 116.91 6pad s TYR 82 Ca 0.63 0.86 0.12 0.00 -0.37 0.00 0.00 57.07 58.32 6pad s TYR 82 Cb -0.07 -3.35 0.65 0.00 -0.40 0.00 0.00 41.96 38.79 6pad s TYR 82 CO 0.43 -2.88 1.51 -2.13 -1.57 0.00 0.00 175.55 170.91 6pad n ARG 83 N -4.13 3.91 -0.03 -0.62 0.63 0.15 -2.78 116.66 113.78 6pad n ARG 83 Ca 0.07 -2.51 -0.05 0.00 -0.92 0.00 0.00 57.85 54.44 6pad n ARG 83 Cb 0.58 -2.03 -0.03 0.00 0.45 0.00 0.00 32.46 31.44 6pad n ARG 83 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 6pad n ASN 84 N 0.63 3.16 -0.93 6.15 3.02 -1.26 -3.05 115.26 122.97 6pad n ASN 84 Ca 0.22 -0.02 0.06 0.00 -0.03 0.00 0.00 54.58 54.81 6pad n ASN 84 Cb 0.95 -0.12 0.20 0.00 -0.61 0.00 0.00 39.78 40.20 6pad n ASN 84 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 6pad n THR 85 N -2.76 0.87 -2.57 3.41 -2.24 -1.24 -4.11 114.28 105.64 6pad n THR 85 Ca -0.12 -0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 61.02 6pad n THR 85 Cb 0.62 0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.94 6pad n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 6pad n TYR 86 N 0.62 -0.42 -0.96 4.78 -0.00 -1.16 -4.85 117.16 115.16 6pad n TYR 86 Ca 0.15 -0.45 -0.35 0.00 -0.00 0.00 0.00 57.90 57.25 6pad n TYR 86 Cb 0.49 0.87 0.08 0.00 -0.00 0.00 0.00 39.34 40.78 6pad n TYR 86 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 6pad n PRO 87 N -0.36 -0.09 -2.94 2.98 -0.04 -1.17 -4.37 135.00 129.01 6pad n PRO 87 Ca -0.10 -0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.96 6pad n PRO 87 Cb 0.60 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 6pad n PRO 87 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 6pad s TYR 88 N -2.16 3.90 -0.04 0.54 5.04 -1.26 -4.67 117.35 118.70 6pad s TYR 88 Ca 0.51 1.66 0.00 0.00 -2.44 0.00 0.00 57.07 56.81 6pad s TYR 88 Cb -0.23 -2.81 -0.03 0.00 0.35 0.00 0.00 41.96 39.24 6pad s TYR 88 CO 0.72 0.47 -0.03 -0.85 -1.34 0.00 0.00 175.55 174.53 6pad n GLU 89 N 1.74 0.22 0.00 4.97 0.28 -1.26 -5.05 120.64 121.54 6pad n GLU 89 Ca -0.05 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 6pad n GLU 89 Cb 0.49 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.28 6pad n GLU 89 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 6pad n GLY 90 N 3.29 0.91 3.17 -1.84 0.00 -1.26 -5.09 105.19 104.37 6pad n GLY 90 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 6pad n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6pad s VAL 91 N -2.00 1.85 0.38 1.61 1.01 -1.26 -4.48 120.40 117.50 6pad s VAL 91 Ca 0.00 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 6pad s VAL 91 Cb 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.68 6pad s VAL 91 CO 0.00 0.51 1.29 -1.58 0.00 0.00 0.00 175.10 175.33 6pad s GLN 92 N 0.43 4.09 0.00 2.72 0.74 -1.26 -4.92 119.66 121.46 6pad s GLN 92 Ca -0.18 2.15 0.00 0.00 0.05 0.00 0.00 55.36 57.38 6pad s GLN 92 Cb -0.17 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.09 6pad s GLN 92 CO 0.08 -0.39 0.00 0.54 -0.55 0.00 0.00 175.29 174.97 6pad n ARG 93 N 0.33 0.00 -2.01 1.67 1.74 -1.26 -4.99 116.66 112.13 6pad n ARG 93 Ca 0.03 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 6pad n ARG 93 Cb 0.43 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.85 6pad n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 6pad s TYR 94 N -4.67 2.97 0.23 -1.55 6.14 -1.26 -4.20 117.35 115.00 6pad s TYR 94 Ca 0.00 1.17 -0.31 0.00 0.64 0.00 0.00 57.07 58.57 6pad s TYR 94 Cb 0.00 -3.80 -0.12 0.00 0.42 0.00 0.00 41.96 38.46 6pad s TYR 94 CO 0.00 -2.46 1.67 0.00 0.64 0.00 0.00 175.55 175.40 6pad n ARG 96 N 3.49 3.24 0.00 0.00 1.74 -1.26 -4.78 116.66 119.08 6pad n ARG 96 Ca 0.14 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 6pad n ARG 96 Cb 0.36 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 6pad n ARG 96 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 6pad n SER 97 N -1.35 0.00 -0.14 0.55 7.64 -1.26 0.29 113.62 119.35 6pad n SER 97 Ca 0.01 0.39 -0.05 0.00 1.01 0.00 0.00 58.87 60.23 6pad n SER 97 Cb 0.15 -0.12 0.02 0.00 -1.01 0.00 0.00 64.21 63.25 6pad n SER 97 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 6pad h ARG 98 N 0.00 -0.10 -0.41 1.43 -0.00 -1.87 -1.51 114.38 111.93 6pad h ARG 98 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 6pad h ARG 98 Cb 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 29.97 29.97 6pad h ARG 98 CO 0.00 -0.06 0.19 1.49 -0.00 0.00 0.00 179.97 181.59 6pad h GLU 99 N -0.10 0.57 -0.07 0.08 4.81 -1.28 -2.09 114.58 116.50 6pad h GLU 99 Ca 0.21 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 6pad h GLU 99 Cb 0.43 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 6pad h GLU 99 CO -0.51 0.45 -0.15 0.87 -0.73 0.00 0.00 179.01 178.94 6pad h LYS 100 N 0.57 0.10 0.00 1.92 1.79 0.53 -3.49 116.57 118.00 6pad h LYS 100 Ca 0.14 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 6pad h LYS 100 Cb 0.07 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 6pad h LYS 100 CO -0.02 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 6pad n GLY 101 N -0.98 -0.94 3.48 3.86 0.00 -0.79 -5.03 105.19 104.79 6pad n GLY 101 Ca -0.02 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 6pad n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 6pad n PRO 102 N 0.00 0.70 -1.67 1.61 -0.04 -1.26 -4.66 135.00 129.68 6pad n PRO 102 Ca 0.00 0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.42 6pad n PRO 102 Cb 0.00 -1.54 0.10 0.00 -0.04 0.00 0.00 33.50 32.03 6pad n PRO 102 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 6pad s TYR 103 N -1.31 2.79 -0.00 0.54 4.12 -1.26 -5.00 117.35 117.23 6pad s TYR 103 Ca 0.62 0.92 0.00 0.00 0.02 0.00 0.00 57.07 58.63 6pad s TYR 103 Cb -0.66 -3.31 -0.00 0.00 -1.52 0.00 0.00 41.96 36.46 6pad s TYR 103 CO 0.58 -1.94 -0.00 0.00 0.02 0.00 0.00 175.55 174.21 6pad n ALA 104 N -3.49 2.00 -2.73 3.71 0.00 -1.20 -5.04 120.51 113.77 6pad n ALA 104 Ca 0.07 -0.01 -0.18 0.00 0.00 0.00 0.00 53.44 53.32 6pad n ALA 104 Cb 0.59 0.33 -0.15 0.00 0.00 0.00 0.00 19.45 20.22 6pad n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6pad s ALA 105 N -2.00 0.67 -0.30 0.00 0.00 -0.42 -5.03 121.76 114.68 6pad s ALA 105 Ca -0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 6pad s ALA 105 Cb 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 23.12 23.08 6pad s ALA 105 CO 0.01 0.16 0.64 0.21 0.00 0.00 0.00 175.76 176.77 6pad s LYS 106 N -0.16 0.57 0.67 0.00 2.20 -1.26 0.26 119.74 122.03 6pad s LYS 106 Ca 0.03 1.36 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 6pad s LYS 106 Cb -0.03 0.81 0.16 0.00 -1.51 0.00 0.00 37.83 37.25 6pad s LYS 106 CO -0.00 -0.28 0.76 0.25 -0.36 0.00 0.00 175.35 175.71 6pad n THR 107 N 5.45 0.00 -2.11 3.43 -2.24 -1.26 -4.96 114.28 112.58 6pad n THR 107 Ca -0.10 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 6pad n THR 107 Cb 0.49 -1.47 0.10 0.00 -2.10 0.00 0.00 70.33 67.35 6pad n THR 107 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 6pad n ASP 108 N -3.78 2.18 0.00 3.42 8.00 -0.24 -4.56 116.55 121.58 6pad n ASP 108 Ca 0.10 -3.09 0.00 0.00 0.71 0.00 0.00 54.79 52.51 6pad n ASP 108 Cb 0.36 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 6pad n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 6pad n GLY 109 N -0.53 3.35 2.89 0.44 0.00 -1.25 -4.67 105.19 105.43 6pad n GLY 109 Ca 0.19 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 6pad n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 6pad s VAL 110 N -2.10 0.20 0.06 1.61 -7.23 -1.26 0.33 120.40 112.01 6pad s VAL 110 Ca 0.00 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 6pad s VAL 110 Cb 0.00 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 6pad s VAL 110 CO 0.00 0.08 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.66 6pad s ARG 111 N 0.16 0.60 0.06 4.82 0.52 0.12 -4.92 118.95 120.31 6pad s ARG 111 Ca -0.01 -0.91 0.06 0.00 -0.52 0.00 0.00 55.73 54.35 6pad s ARG 111 Cb -0.04 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.15 6pad s ARG 111 CO -0.00 0.03 -0.10 -1.14 0.02 0.00 0.00 175.30 174.10 6pad s GLN 112 N -2.19 2.28 0.00 3.54 0.74 -1.26 -0.55 119.66 122.23 6pad s GLN 112 Ca -0.04 -0.90 -0.19 0.00 0.05 0.00 0.00 55.36 54.28 6pad s GLN 112 Cb -0.06 -2.36 -0.06 0.00 1.10 0.00 0.00 33.01 31.64 6pad s GLN 112 CO -0.01 0.55 0.53 0.08 -0.55 0.00 0.00 175.29 175.89 6pad s VAL 113 N -1.09 4.92 -0.33 1.34 1.01 -0.93 -4.98 120.40 120.35 6pad s VAL 113 Ca 0.19 1.11 -0.33 0.00 0.00 0.00 0.00 61.98 62.95 6pad s VAL 113 Cb -0.11 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 6pad s VAL 113 CO 0.10 0.48 2.22 1.67 0.00 0.00 0.00 175.10 179.57 6pad n GLN 114 N 2.36 1.32 -0.87 2.72 7.27 -1.26 -4.39 117.38 124.53 6pad n GLN 114 Ca -0.09 0.34 -0.35 0.00 0.07 0.00 0.00 57.00 56.97 6pad n GLN 114 Cb 0.51 -2.72 0.09 0.00 2.41 0.00 0.00 30.24 30.54 6pad n GLN 114 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 6pad n PRO 115 N 8.41 -0.36 -4.06 3.69 -0.04 -1.26 -3.86 135.00 137.52 6pad n PRO 115 Ca 0.38 -0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 63.30 6pad n PRO 115 Cb 0.30 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.35 6pad n PRO 115 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 6pad n TYR 116 N -3.35 -1.42 -3.15 0.54 4.01 0.43 -4.97 117.16 109.25 6pad n TYR 116 Ca 0.02 0.12 0.04 0.00 -0.16 0.00 0.00 57.90 57.92 6pad n TYR 116 Cb 0.59 -2.84 -0.00 0.00 -0.31 0.00 0.00 39.34 36.77 6pad n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 6pad s ASN 117 N -3.57 -1.24 0.06 7.72 3.84 -1.25 -4.93 114.94 115.57 6pad s ASN 117 Ca 0.47 0.38 -0.25 0.00 0.21 0.00 0.00 52.86 53.68 6pad s ASN 117 Cb -0.25 1.88 -0.17 0.00 -0.55 0.00 0.00 41.25 42.16 6pad s ASN 117 CO 0.97 -0.23 1.58 -0.61 -2.79 0.00 0.00 177.10 176.02 6pad h GLN 118 N 7.89 -0.10 -0.97 0.43 4.15 -1.91 -1.75 115.11 122.85 6pad h GLN 118 Ca -0.10 0.01 0.31 0.00 0.77 0.00 0.00 58.65 59.63 6pad h GLN 118 Cb 1.18 0.02 -0.15 0.00 0.21 0.00 0.00 27.48 28.74 6pad h GLN 118 CO 0.12 0.06 0.44 0.78 -1.93 0.00 0.00 178.83 178.30 6pad h GLY 119 N -0.24 1.85 1.18 2.39 0.00 -1.99 0.16 103.07 106.43 6pad h GLY 119 Ca -0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 47.33 46.95 6pad h GLY 119 CO 0.02 -0.50 -0.80 0.00 0.00 0.00 0.00 176.54 175.26 6pad h ALA 120 N 1.86 0.29 0.55 3.60 0.00 -1.84 -3.13 119.26 120.59 6pad h ALA 120 Ca 0.69 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 6pad h ALA 120 Cb 1.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 6pad h ALA 120 CO -0.66 0.68 -0.33 1.25 0.00 0.00 0.00 179.25 180.19 6pad h LEU 121 N 0.54 -0.82 -0.21 0.00 5.85 0.14 -3.04 115.31 117.77 6pad h LEU 121 Ca -0.06 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.75 6pad h LEU 121 Cb 1.43 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 42.63 6pad h LEU 121 CO 0.16 -0.52 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.17 6pad h LEU 122 N -0.83 -1.60 -0.91 2.25 3.38 -1.25 -0.39 115.31 115.95 6pad h LEU 122 Ca -0.07 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.21 6pad h LEU 122 Cb 0.67 0.65 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 6pad h LEU 122 CO 0.07 -0.45 -0.54 0.22 0.09 0.00 0.00 178.44 177.84 6pad h TYR 123 N -0.50 -1.69 -0.92 1.13 3.20 -1.55 1.17 116.97 117.81 6pad h TYR 123 Ca 0.06 0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.05 6pad h TYR 123 Cb 0.65 0.86 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 6pad h TYR 123 CO -0.59 -0.39 0.58 0.66 -1.64 0.00 0.00 178.16 176.78 6pad h SER 124 N -0.05 1.08 0.88 -2.11 4.64 -1.38 0.73 113.55 117.33 6pad h SER 124 Ca 0.19 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 6pad h SER 124 Cb 0.47 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 6pad h SER 124 CO -0.90 0.81 0.00 0.40 -0.87 0.00 0.00 176.83 176.27 6pad h ILE 125 N 1.25 0.00 0.05 0.95 2.04 0.12 0.30 117.51 122.22 6pad h ILE 125 Ca 0.33 -0.34 -0.29 0.00 1.00 0.00 0.00 64.86 65.56 6pad h ILE 125 Cb -0.09 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 6pad h ILE 125 CO -0.07 0.00 -1.60 0.00 0.00 0.00 0.00 178.15 176.48 6pad h ALA 126 N 2.20 0.54 0.00 1.87 0.00 0.34 -3.34 119.26 120.87 6pad h ALA 126 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 6pad h ALA 126 Cb 0.44 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.60 6pad h ALA 126 CO 0.00 1.39 -0.83 -0.91 0.00 0.00 0.00 179.25 178.90 6pad h ASN 127 N 0.03 0.00 0.00 0.00 -0.26 -0.56 -3.48 115.58 111.30 6pad h ASN 127 Ca -0.25 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 6pad h ASN 127 Cb 1.98 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.24 6pad h ASN 127 CO 0.11 0.03 0.00 0.00 -1.06 0.00 0.00 177.43 176.51 6pad n GLN 128 N -2.57 0.00 -0.84 0.81 10.64 0.10 -5.02 117.38 120.49 6pad n GLN 128 Ca 0.01 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.83 6pad n GLN 128 Cb 0.52 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 30.00 6pad n GLN 128 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 6pad n PRO 129 N -0.67 -0.63 -3.79 2.61 -0.04 -1.26 -3.21 135.00 128.00 6pad n PRO 129 Ca 0.00 -0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.18 6pad n PRO 129 Cb 0.00 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.98 6pad n PRO 129 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 6pad s VAL 130 N -2.16 0.10 -0.19 0.52 1.01 -1.23 -4.81 120.40 113.65 6pad s VAL 130 Ca 0.48 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 6pad s VAL 130 Cb -0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 6pad s VAL 130 CO 0.69 -0.46 0.44 -0.55 0.00 0.00 0.00 175.10 175.22 6pad s SER 131 N -2.30 6.50 0.07 3.32 0.15 -0.89 -2.50 113.70 118.05 6pad s SER 131 Ca -0.02 0.60 0.04 0.00 0.70 0.00 0.00 55.95 57.26 6pad s SER 131 Cb 0.01 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 6pad s SER 131 CO -0.06 -0.09 -0.10 0.54 1.20 0.00 0.00 173.24 174.73 6pad s VAL 132 N 1.28 0.85 0.56 4.45 0.11 -0.96 -0.42 120.40 126.27 6pad s VAL 132 Ca 0.21 -1.36 0.07 0.00 -2.93 0.00 0.00 61.98 57.96 6pad s VAL 132 Cb -0.15 -1.03 0.06 0.00 -1.53 0.00 0.00 36.38 33.72 6pad s VAL 132 CO 0.09 -0.41 0.52 0.68 -3.33 0.00 0.00 175.10 172.64 6pad s VAL 133 N -1.78 1.75 -2.37 2.04 -7.23 -1.25 -0.38 120.40 111.17 6pad s VAL 133 Ca -0.02 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 6pad s VAL 133 Cb -0.07 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.77 6pad s VAL 133 CO 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.80 6pad n LEU 134 N -1.92 0.00 -4.56 1.32 -0.00 -0.15 -3.76 117.00 107.93 6pad n LEU 134 Ca 0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.62 6pad n LEU 134 Cb 0.64 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.99 6pad n LEU 134 CO 0.39 0.00 0.41 -1.58 -0.00 0.00 0.00 177.39 176.61 6pad s GLN 135 N -1.90 3.61 -0.04 1.47 0.74 0.75 -1.37 119.66 122.93 6pad s GLN 135 Ca 0.00 -0.00 0.04 0.00 0.05 0.00 0.00 55.36 55.45 6pad s GLN 135 Cb 0.00 -3.84 -0.06 0.00 1.10 0.00 0.00 33.01 30.22 6pad s GLN 135 CO 0.00 -0.81 0.03 0.00 -0.55 0.00 0.00 175.29 173.96 6pad n ALA 136 N 6.15 1.95 0.00 1.58 0.00 -1.26 -4.39 120.51 124.53 6pad n ALA 136 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 6pad n ALA 136 Cb 0.48 0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.03 6pad n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6pad n ALA 137 N -2.06 0.49 -1.49 0.00 0.00 -1.26 -4.43 120.51 111.76 6pad n ALA 137 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 6pad n ALA 137 Cb 0.54 -0.39 0.05 0.00 0.00 0.00 0.00 19.45 19.65 6pad n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 6pad n GLY 138 N -0.91 -1.10 0.28 0.00 0.00 -1.26 -4.91 105.19 97.29 6pad n GLY 138 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.92 6pad n GLY 138 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 6pad n LYS 139 N -0.49 1.45 -0.11 1.61 4.81 -1.26 -3.68 118.16 120.49 6pad n LYS 139 Ca 0.12 -0.60 -0.21 0.00 -0.87 0.00 0.00 58.31 56.75 6pad n LYS 139 Cb 0.48 -1.34 -0.08 0.00 0.02 0.00 0.00 35.03 34.11 6pad n LYS 139 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 6pad n ASP 140 N -0.50 1.80 0.27 3.14 8.00 -1.26 -4.09 116.55 123.92 6pad n ASP 140 Ca 0.06 0.16 0.14 0.00 0.71 0.00 0.00 54.79 55.87 6pad n ASP 140 Cb 0.35 -0.56 0.76 0.00 -0.02 0.00 0.00 41.12 41.65 6pad n ASP 140 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 6pad h PHE 141 N -0.57 0.00 -0.01 1.24 3.57 -1.87 -0.60 116.94 118.70 6pad h PHE 141 Ca -0.54 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 60.81 6pad h PHE 141 Cb 1.56 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.28 6pad h PHE 141 CO -0.04 0.10 -0.70 1.96 -2.23 0.00 0.00 178.31 177.39 6pad h GLN 142 N 0.00 0.08 0.00 1.11 4.20 -1.77 -3.27 115.11 115.47 6pad h GLN 142 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 6pad h GLN 142 Cb 0.35 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.14 6pad h GLN 142 CO 0.01 0.75 -1.01 1.28 -0.67 0.00 0.00 178.83 179.19 6pad n LEU 143 N -3.74 0.63 -4.63 1.46 4.77 -0.41 -4.97 117.00 110.11 6pad n LEU 143 Ca -0.02 -0.08 -0.59 0.00 -0.03 0.00 0.00 56.01 55.30 6pad n LEU 143 Cb 0.68 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 6pad n LEU 143 CO 0.44 0.07 1.41 0.00 -1.33 0.00 0.00 177.39 177.98 6pad n TYR 144 N -1.87 1.85 -2.33 -1.77 4.19 -0.37 -4.82 117.16 112.03 6pad n TYR 144 Ca 0.02 0.63 -0.16 0.00 3.31 0.00 0.00 57.90 61.70 6pad n TYR 144 Cb 0.42 -2.41 0.03 0.00 0.49 0.00 0.00 39.34 37.86 6pad n TYR 144 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 6pad n ARG 145 N 5.78 2.92 0.00 2.98 1.85 -1.26 0.64 116.66 129.57 6pad n ARG 145 Ca 0.32 -3.95 0.00 0.00 -1.00 0.00 0.00 57.85 53.22 6pad n ARG 145 Cb 0.09 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.47 6pad n ARG 145 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 6pad n GLY 146 N -0.64 2.73 0.00 2.89 0.00 -0.97 -4.70 105.19 104.50 6pad n GLY 146 Ca 0.31 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.90 6pad n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6pad n GLY 147 N 1.46 0.81 3.13 -0.02 0.00 -1.26 -4.98 105.19 104.33 6pad n GLY 147 Ca 0.00 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 6pad n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6pad s ILE 148 N -2.17 3.12 0.00 -0.61 -1.09 -1.25 -3.55 121.20 115.66 6pad s ILE 148 Ca 0.00 -1.85 -0.30 0.00 -2.23 0.00 0.00 60.65 56.26 6pad s ILE 148 Cb 0.00 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.78 6pad s ILE 148 CO 0.00 -0.49 1.39 0.12 -1.23 0.00 0.00 174.94 174.73 6pad s PHE 149 N 1.16 2.88 0.00 3.97 5.36 -0.37 -4.84 117.98 126.14 6pad s PHE 149 Ca 0.04 0.84 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 6pad s PHE 149 Cb -0.21 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 6pad s PHE 149 CO -0.03 -2.40 0.00 1.55 -1.46 0.00 0.00 175.22 172.87 6pad n VAL 150 N 4.63 0.00 -0.50 3.12 3.14 -1.26 -2.62 118.33 124.84 6pad n VAL 150 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 6pad n VAL 150 Cb 0.44 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 6pad n VAL 150 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 6pad n GLY 151 N 2.48 0.17 3.74 7.55 0.00 -1.26 -4.63 105.19 113.24 6pad n GLY 151 Ca 0.00 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 6pad n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 6pad s PRO 152 N -2.00 1.85 0.19 1.61 0.04 -1.26 -4.96 135.00 130.47 6pad s PRO 152 Ca 0.00 1.07 -0.23 0.00 0.04 0.00 0.00 61.00 61.88 6pad s PRO 152 Cb 0.00 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.74 6pad s PRO 152 CO 0.00 -1.90 0.93 0.00 0.04 0.00 0.00 177.00 176.06 6pad n GLY 154 N -0.50 3.66 1.02 0.00 0.00 -1.26 -4.76 105.19 103.35 6pad n GLY 154 Ca -0.05 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.88 6pad n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 6pad n ASN 155 N -1.52 3.98 -4.37 1.61 3.02 -1.26 -3.26 115.26 113.47 6pad n ASN 155 Ca 0.00 -2.74 -0.45 0.00 -0.03 0.00 0.00 54.58 51.36 6pad n ASN 155 Cb 0.00 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 6pad n ASN 155 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 6pad s LYS 156 N -2.35 4.19 0.34 3.52 1.02 -1.26 -4.90 119.74 120.30 6pad s LYS 156 Ca 0.41 -3.08 -0.29 0.00 0.02 0.00 0.00 55.97 53.03 6pad s LYS 156 Cb 0.30 -4.69 -0.11 0.00 -0.52 0.00 0.00 37.83 32.82 6pad s LYS 156 CO 0.13 -1.37 1.53 0.08 -0.92 0.00 0.00 175.35 174.79 6pad s VAL 157 N -0.58 2.10 0.00 3.17 1.01 -1.26 -4.39 120.40 120.44 6pad s VAL 157 Ca 0.34 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.41 6pad s VAL 157 Cb -0.08 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.24 6pad s VAL 157 CO -0.06 0.02 0.13 -0.90 0.00 0.00 0.00 175.10 174.29 6pad n ASP 158 N 1.26 0.00 -3.78 3.32 5.75 -0.47 -4.93 116.55 117.70 6pad n ASP 158 Ca 0.04 -0.50 -0.13 0.00 -0.01 0.00 0.00 54.79 54.19 6pad n ASP 158 Cb 0.39 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.35 6pad n ASP 158 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 6pad s HIS 159 N 0.00 -0.27 -0.09 2.11 5.04 -0.78 -4.93 115.29 116.37 6pad s HIS 159 Ca 0.00 0.66 -0.01 0.00 -1.54 0.00 0.00 55.06 54.17 6pad s HIS 159 Cb 0.00 0.07 -0.03 0.00 0.04 0.00 0.00 32.58 32.66 6pad s HIS 159 CO 0.00 -0.15 -0.04 0.00 -2.34 0.00 0.00 174.74 172.21 6pad s ALA 160 N 0.44 3.11 0.00 1.58 0.00 -1.26 -0.98 121.76 124.65 6pad s ALA 160 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.09 6pad s ALA 160 Cb -0.04 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.70 6pad s ALA 160 CO -0.02 0.52 0.00 1.33 0.00 0.00 0.00 175.76 177.59 6pad n VAL 161 N 2.39 0.00 -3.84 0.00 0.24 0.49 -4.58 118.33 113.02 6pad n VAL 161 Ca -0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 6pad n VAL 161 Cb 0.53 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.78 6pad n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6pad s ALA 162 N -1.90 -0.26 -0.22 2.33 0.00 -0.60 -2.27 121.76 118.85 6pad s ALA 162 Ca 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 6pad s ALA 162 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 6pad s ALA 162 CO 0.00 -0.07 0.23 0.00 0.00 0.00 0.00 175.76 175.92 6pad s ALA 163 N -0.14 3.60 -0.29 0.00 0.00 -1.04 0.30 121.76 124.20 6pad s ALA 163 Ca -0.02 -0.75 0.15 0.00 0.00 0.00 0.00 51.96 51.34 6pad s ALA 163 Cb -0.02 -2.39 0.48 0.00 0.00 0.00 0.00 23.12 21.19 6pad s ALA 163 CO 0.00 -0.17 1.13 1.33 0.00 0.00 0.00 175.76 178.05 6pad n VAL 164 N 4.19 1.81 0.00 0.00 0.24 -0.58 -3.55 118.33 120.43 6pad n VAL 164 Ca -0.13 -3.56 0.00 0.00 -2.04 0.00 0.00 64.34 58.61 6pad n VAL 164 Cb 0.52 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 6pad n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 6pad n GLY 165 N -0.60 4.05 3.48 7.63 0.00 -1.20 -3.23 105.19 115.32 6pad n GLY 165 Ca 0.24 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 6pad n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 6pad s TYR 166 N -2.07 -0.11 0.33 1.61 -0.85 -0.58 0.12 117.35 115.80 6pad s TYR 166 Ca 0.00 -0.23 0.03 0.00 -0.52 0.00 0.00 57.07 56.36 6pad s TYR 166 Cb 0.00 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 6pad s TYR 166 CO 0.00 -0.87 0.14 0.20 -1.52 0.00 0.00 175.55 173.50 6pad s GLY 167 N -2.87 2.20 0.57 5.49 0.00 0.37 -2.04 107.32 111.05 6pad s GLY 167 Ca 0.09 -1.67 0.35 0.00 0.00 0.00 0.00 44.72 43.49 6pad s GLY 167 CO -0.04 -1.68 1.71 -0.56 0.00 0.00 0.00 173.10 172.53 6pad h PRO 168 N 2.09 0.00 0.00 2.90 0.13 -1.98 -3.24 132.00 131.91 6pad h PRO 168 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 6pad h PRO 168 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 6pad h PRO 168 CO 0.55 0.00 -0.20 0.27 -0.23 0.00 0.00 178.00 178.39 6pad n ASN 169 N -3.87 1.00 -4.29 1.44 0.23 -1.26 -4.89 115.26 103.63 6pad n ASN 169 Ca 0.24 -0.04 -0.31 0.00 -0.53 0.00 0.00 54.58 53.94 6pad n ASN 169 Cb 1.26 0.28 -0.16 0.00 -2.08 0.00 0.00 39.78 39.08 6pad n ASN 169 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 6pad s TYR 170 N -0.48 2.33 -0.15 -2.53 1.13 -1.22 -0.75 117.35 115.68 6pad s TYR 170 Ca 0.00 -0.55 -0.05 0.00 -1.41 0.00 0.00 57.07 55.07 6pad s TYR 170 Cb 0.00 -1.51 -0.03 0.00 -1.10 0.00 0.00 41.96 39.31 6pad s TYR 170 CO 0.00 -0.11 0.01 0.42 -2.51 0.00 0.00 175.55 173.36 6pad s ILE 171 N -0.42 4.37 -0.16 -3.49 1.01 0.27 0.14 121.20 122.93 6pad s ILE 171 Ca 0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 6pad s ILE 171 Cb -0.11 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 6pad s ILE 171 CO 0.01 0.51 0.39 -0.22 0.00 0.00 0.00 174.94 175.63 6pad s LEU 172 N 0.05 4.22 -0.05 2.97 2.96 0.33 -0.93 118.68 128.22 6pad s LEU 172 Ca 0.03 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.58 6pad s LEU 172 Cb -0.13 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.04 6pad s LEU 172 CO 0.02 -0.00 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.28 6pad s ILE 173 N 0.85 1.16 -0.27 6.68 -1.09 -0.38 -1.53 121.20 126.62 6pad s ILE 173 Ca 0.21 -0.52 -0.17 0.00 -2.23 0.00 0.00 60.65 57.93 6pad s ILE 173 Cb -0.14 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.67 6pad s ILE 173 CO 0.07 0.35 0.49 -0.75 -1.23 0.00 0.00 174.94 173.88 6pad s LYS 174 N 0.42 4.02 0.10 2.79 2.20 0.88 -2.10 119.74 128.05 6pad s LYS 174 Ca -0.10 0.23 -0.07 0.00 -0.36 0.00 0.00 55.97 55.67 6pad s LYS 174 Cb -0.13 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.46 6pad s LYS 174 CO 0.03 -0.37 0.38 1.21 -0.36 0.00 0.00 175.35 176.24 6pad s ASN 175 N 1.58 6.56 -0.08 1.43 2.47 -0.93 -1.55 114.94 124.43 6pad s ASN 175 Ca 0.20 0.69 0.03 0.00 0.42 0.00 0.00 52.86 54.20 6pad s ASN 175 Cb -0.16 -2.13 0.21 0.00 -1.45 0.00 0.00 41.25 37.72 6pad s ASN 175 CO 0.10 0.13 0.92 -1.20 -3.72 0.00 0.00 177.10 173.32 6pad n SER 176 N 0.57 2.47 -4.93 -4.21 7.64 -1.26 -4.68 113.62 109.22 6pad n SER 176 Ca -0.06 -2.29 -0.23 0.00 1.01 0.00 0.00 58.87 57.30 6pad n SER 176 Cb 0.52 -0.56 0.01 0.00 -1.01 0.00 0.00 64.21 63.17 6pad n SER 176 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 6pad s TRP 177 N -1.35 1.81 1.08 1.43 0.51 -1.21 -1.08 118.94 120.13 6pad s TRP 177 Ca 0.15 -0.73 -0.13 0.00 -2.12 0.00 0.00 56.10 53.26 6pad s TRP 177 Cb 0.12 -2.05 0.24 0.00 -0.81 0.00 0.00 33.47 30.96 6pad s TRP 177 CO 0.04 -0.57 1.07 0.20 -0.51 0.00 0.00 176.95 177.18 6pad s GLY 178 N -4.35 1.55 -0.00 0.98 0.00 -1.26 -4.13 107.32 100.12 6pad s GLY 178 Ca 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.80 6pad s GLY 178 CO 0.27 0.32 0.67 -1.30 0.00 0.00 0.00 173.10 173.06 6pad n THR 179 N -4.51 0.05 -1.31 0.90 -2.24 -1.26 -2.94 114.28 102.98 6pad n THR 179 Ca 0.05 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 6pad n THR 179 Cb 0.57 -0.34 0.21 0.00 -2.10 0.00 0.00 70.33 68.66 6pad n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 6pad n GLY 180 N 0.17 4.59 3.03 3.38 0.00 -1.26 -3.99 105.19 111.11 6pad n GLY 180 Ca 0.01 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 6pad n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 6pad s TRP 181 N -3.22 0.08 0.00 1.61 -0.00 -1.15 -5.01 118.94 111.25 6pad s TRP 181 Ca 0.50 -0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.42 6pad s TRP 181 Cb 0.43 -0.08 0.00 0.00 -0.00 0.00 0.00 33.47 33.83 6pad s TRP 181 CO 0.06 -0.20 0.00 0.41 -0.00 0.00 0.00 176.95 177.21 6pad n GLY 182 N 1.85 3.37 2.81 5.86 0.00 0.21 -0.33 105.19 118.95 6pad n GLY 182 Ca -0.21 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 6pad n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 6pad n GLU 183 N 14.00 3.42 -2.62 1.61 1.02 0.70 -2.30 120.64 136.46 6pad n GLU 183 Ca 0.00 -4.59 -0.07 0.00 -0.02 0.00 0.00 57.16 52.48 6pad n GLU 183 Cb 0.00 -2.40 0.02 0.00 -0.02 0.00 0.00 31.44 29.04 6pad n GLU 183 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 6pad n ASN 184 N 1.33 -3.14 0.00 1.62 4.13 -1.15 -2.96 115.26 115.08 6pad n ASN 184 Ca 0.27 -0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.41 6pad n ASN 184 Cb 0.37 -1.93 0.00 0.00 -1.54 0.00 0.00 39.78 36.67 6pad n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 6pad n GLY 185 N -0.99 0.78 3.68 7.41 0.00 0.55 -4.67 105.19 111.94 6pad n GLY 185 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 6pad n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 6pad s TYR 186 N -2.66 2.95 -0.10 1.61 2.02 -1.15 -2.19 117.35 117.83 6pad s TYR 186 Ca 0.00 -0.05 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 6pad s TYR 186 Cb 0.00 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.09 6pad s TYR 186 CO 0.00 0.48 0.26 -1.50 -1.57 0.00 0.00 175.55 173.22 6pad s ILE 187 N -1.36 -0.02 -0.24 2.71 2.07 -0.89 0.25 121.20 123.71 6pad s ILE 187 Ca 0.26 0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.51 6pad s ILE 187 Cb -0.11 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.06 6pad s ILE 187 CO 0.18 0.04 0.06 -0.13 -1.91 0.00 0.00 174.94 173.17 6pad s ARG 188 N 0.83 3.63 0.26 3.50 0.52 -1.23 -1.25 118.95 125.22 6pad s ARG 188 Ca -0.06 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 6pad s ARG 188 Cb -0.07 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 6pad s ARG 188 CO -0.05 -0.18 0.21 0.42 0.02 0.00 0.00 175.30 175.71 6pad s ILE 189 N 1.58 4.29 -0.11 1.52 1.01 -0.10 -1.23 121.20 128.14 6pad s ILE 189 Ca 0.06 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.20 6pad s ILE 189 Cb -0.15 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 6pad s ILE 189 CO 0.03 -0.33 0.22 -0.75 0.00 0.00 0.00 174.94 174.11 6pad s LYS 190 N -3.86 3.78 0.50 2.79 2.20 -1.08 0.97 119.74 125.04 6pad s LYS 190 Ca 0.34 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 56.01 6pad s LYS 190 Cb -0.07 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 6pad s LYS 190 CO 0.25 0.60 0.30 -0.98 -0.36 0.00 0.00 175.35 175.16 6pad s ARG 191 N -0.60 2.27 -0.29 4.03 1.70 0.07 -4.78 118.95 121.36 6pad s ARG 191 Ca 0.16 -1.98 -0.06 0.00 -0.47 0.00 0.00 55.73 53.38 6pad s ARG 191 Cb -0.13 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.23 6pad s ARG 191 CO 0.05 -0.42 0.17 0.41 -1.08 0.00 0.00 175.30 174.43 6pad n GLY 192 N -1.55 -2.63 0.00 3.88 0.00 -1.26 -4.82 105.19 98.81 6pad n GLY 192 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.59 6pad n GLY 192 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 6pad n THR 193 N 0.54 0.00 0.00 2.61 5.66 -1.26 -5.03 114.28 116.80 6pad n THR 193 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 6pad n THR 193 Cb 0.23 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 6pad n THR 193 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 6pad n GLY 194 N 0.04 1.15 3.53 1.09 0.00 -1.26 -5.04 105.19 104.71 6pad n GLY 194 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 6pad n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 6pad n ASN 195 N 0.02 1.23 0.14 1.61 2.85 -1.26 -4.78 115.26 115.07 6pad n ASN 195 Ca 0.00 -0.61 -0.13 0.00 -0.11 0.00 0.00 54.58 53.72 6pad n ASN 195 Cb 0.00 -1.32 -0.06 0.00 1.24 0.00 0.00 39.78 39.64 6pad n ASN 195 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 6pad h SER 196 N 15.09 -0.52 -0.79 1.20 0.87 -1.96 -1.41 113.55 126.03 6pad h SER 196 Ca -0.10 0.05 0.15 0.00 -1.23 0.00 0.00 61.79 60.66 6pad h SER 196 Cb 1.19 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 63.24 6pad h SER 196 CO 1.23 -0.29 0.34 1.88 -0.53 0.00 0.00 176.83 179.46 6pad h TYR 197 N -0.42 0.57 0.00 2.24 0.05 -1.92 -3.40 116.97 114.10 6pad h TYR 197 Ca 0.00 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.82 6pad h TYR 197 Cb 0.40 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.01 6pad h TYR 197 CO -0.15 0.07 0.00 0.41 -1.05 0.00 0.00 178.16 177.43 6pad n GLY 198 N -1.33 1.03 3.61 3.88 0.00 -0.53 -1.31 105.19 110.55 6pad n GLY 198 Ca 0.16 -1.46 -0.52 0.00 0.00 0.00 0.00 46.02 44.20 6pad n GLY 198 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 6pad n VAL 199 N 1.56 0.05 -0.97 1.61 0.24 -1.26 0.79 118.33 120.35 6pad n VAL 199 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 6pad n VAL 199 Cb 0.00 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 6pad n VAL 199 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6pad n GLY 201 N -1.65 -0.09 0.00 0.00 0.00 0.24 0.27 105.19 103.95 6pad n GLY 201 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.10 6pad n GLY 201 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 6pad n LEU 202 N -3.58 0.00 -0.56 0.99 7.94 -1.20 -3.16 117.00 117.42 6pad n LEU 202 Ca -0.02 0.21 0.05 0.00 -1.11 0.00 0.00 56.01 55.15 6pad n LEU 202 Cb 0.55 -0.21 0.12 0.00 0.53 0.00 0.00 43.42 44.41 6pad n LEU 202 CO 0.45 -0.05 0.58 -1.22 -1.11 0.00 0.00 177.39 176.04 6pad n TYR 203 N -1.21 0.36 0.07 1.96 0.53 -0.43 -4.60 117.16 113.84 6pad n TYR 203 Ca 0.13 -0.41 -0.03 0.00 -1.02 0.00 0.00 57.90 56.57 6pad n TYR 203 Cb 0.16 -0.02 -0.01 0.00 -1.03 0.00 0.00 39.34 38.43 6pad n TYR 203 CO 0.00 0.00 0.00 1.15 -1.02 0.00 0.00 176.86 176.99 6pad h THR 204 N 1.91 0.00 -2.26 -0.72 2.02 -1.67 1.25 112.91 113.45 6pad h THR 204 Ca 0.00 -0.01 -0.25 0.00 0.77 0.00 0.00 66.41 66.92 6pad h THR 204 Cb 0.67 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 66.74 6pad h THR 204 CO 0.00 0.00 -0.57 -0.44 0.37 0.00 0.00 175.52 174.88 6pad s SER 205 N -2.33 0.94 0.23 4.18 0.01 -1.26 -4.29 113.70 111.18 6pad s SER 205 Ca -0.03 -0.07 0.10 0.00 1.31 0.00 0.00 55.95 57.27 6pad s SER 205 Cb 0.00 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 6pad s SER 205 CO 0.08 -0.32 -0.12 -0.44 0.41 0.00 0.00 173.24 172.86 6pad s SER 206 N 2.41 4.04 0.30 2.44 0.01 -1.26 -3.91 113.70 117.73 6pad s SER 206 Ca 0.09 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 6pad s SER 206 Cb -0.16 -0.58 0.01 0.00 0.21 0.00 0.00 66.02 65.51 6pad s SER 206 CO -0.14 0.06 0.56 -0.36 0.41 0.00 0.00 173.24 173.77 6pad s PHE 207 N -2.07 0.41 -0.30 2.43 0.40 0.44 -2.19 117.98 117.10 6pad s PHE 207 Ca 0.27 -0.81 -0.21 0.00 -0.60 0.00 0.00 56.93 55.59 6pad s PHE 207 Cb -0.07 0.31 0.20 0.00 0.51 0.00 0.00 43.02 43.96 6pad s PHE 207 CO 0.16 -1.16 1.33 1.52 0.70 0.00 0.00 175.22 177.76 6pad s TYR 208 N -3.49 -0.10 0.00 0.36 1.13 0.29 -2.10 117.35 113.45 6pad s TYR 208 Ca 0.22 0.22 0.00 0.00 -1.41 0.00 0.00 57.07 56.09 6pad s TYR 208 Cb -0.02 0.27 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 6pad s TYR 208 CO 0.12 -0.05 0.00 -0.35 -2.51 0.00 0.00 175.55 172.76 6pad n PRO 209 N 2.38 2.52 -3.66 -3.49 -0.04 -1.24 0.16 135.00 131.63 6pad n PRO 209 Ca -0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.20 6pad n PRO 209 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 6pad n PRO 209 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 6pad s VAL 210 N 0.00 0.06 -0.19 0.52 1.01 1.01 -4.07 120.40 118.74 6pad s VAL 210 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 6pad s VAL 210 Cb 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.40 6pad s VAL 210 CO 0.00 -0.28 0.50 -0.75 0.00 0.00 0.00 175.10 174.57 6pad s LYS 211 N -2.99 0.57 0.00 2.72 2.47 -1.26 -1.08 119.74 120.17 6pad s LYS 211 Ca -0.02 0.76 0.23 0.00 -1.56 0.00 0.00 55.97 55.38 6pad s LYS 211 Cb 0.00 0.22 0.18 0.00 -1.46 0.00 0.00 37.83 36.78 6pad s LYS 211 CO -0.06 -0.09 1.23 0.09 0.16 0.00 0.00 175.35 176.68