#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwl n THR 4 N 0.00 1.58 0.31 -0.44 5.66 -1.26 -4.56 114.28 115.57 3dwl n THR 4 Ca 0.00 -1.44 0.14 0.00 -3.05 0.00 0.00 64.05 59.70 3dwl n THR 4 Cb 0.00 0.15 0.37 0.00 -1.55 0.00 0.00 70.33 69.30 3dwl n THR 4 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3dwl h LEU 5 N 1.64 0.00 0.03 1.09 3.38 -2.00 -3.23 115.31 116.22 3dwl h LEU 5 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3dwl h LEU 5 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3dwl h LEU 5 CO 0.09 0.00 -0.51 0.08 0.09 0.00 0.00 178.44 178.19 3dwl h ARG 6 N 0.00 0.06 0.00 1.13 0.11 -2.00 -3.20 114.38 110.48 3dwl h ARG 6 Ca 0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 3dwl h ARG 6 Cb 0.78 0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.90 3dwl h ARG 6 CO 0.00 1.05 -0.12 -1.35 0.10 0.00 0.00 179.97 179.65 3dwl h PRO 7 N -0.85 0.00 0.64 0.08 0.11 -1.89 -2.46 132.00 127.64 3dwl h PRO 7 Ca -0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3dwl h PRO 7 Cb 1.23 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 3dwl h PRO 7 CO -0.02 0.12 -0.31 -0.92 -0.21 0.00 0.00 178.00 176.66 3dwl h TYR 8 N 0.00 -0.80 -0.08 0.65 3.20 -1.70 -2.56 116.97 115.69 3dwl h TYR 8 Ca -0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3dwl h TYR 8 Cb 0.68 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 3dwl h TYR 8 CO 0.00 -0.50 0.09 -0.07 -1.64 0.00 0.00 178.16 176.05 3dwl h LEU 9 N -1.09 0.00 0.38 2.82 3.38 -1.57 -0.90 115.31 118.33 3dwl h LEU 9 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3dwl h LEU 9 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dwl h LEU 9 CO 0.14 0.00 -0.18 0.78 0.09 0.00 0.00 178.44 179.27 3dwl h ASN 10 N 0.00 -0.43 0.01 -0.43 -0.26 -1.39 -1.55 115.58 111.52 3dwl h ASN 10 Ca 0.04 -0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 3dwl h ASN 10 Cb 0.23 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 3dwl h ASN 10 CO -0.00 -0.23 -0.09 0.00 -1.06 0.00 0.00 177.43 176.05 3dwl h ALA 11 N -0.03 1.60 -0.25 -0.83 0.00 -0.77 0.15 119.26 119.14 3dwl h ALA 11 Ca -0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3dwl h ALA 11 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dwl h ALA 11 CO 0.09 0.29 -0.09 0.28 0.00 0.00 0.00 179.25 179.81 3dwl h VAL 12 N 0.20 1.29 0.00 0.00 2.07 -1.25 -1.77 116.25 116.79 3dwl h VAL 12 Ca 0.04 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3dwl h VAL 12 Cb 0.29 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3dwl h VAL 12 CO 0.02 0.36 -0.00 -0.09 0.02 0.00 0.00 177.57 177.87 3dwl h ARG 13 N 0.23 -0.01 -0.86 1.57 2.43 -0.81 -0.71 114.38 116.22 3dwl h ARG 13 Ca 0.06 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 3dwl h ARG 13 Cb 0.58 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 3dwl h ARG 13 CO 0.03 0.19 0.50 0.77 -1.51 0.00 0.00 179.97 179.95 3dwl h SER 14 N -0.20 0.71 0.46 -3.80 0.02 -1.01 0.73 113.55 110.46 3dwl h SER 14 Ca -0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3dwl h SER 14 Cb 0.20 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3dwl h SER 14 CO 0.00 0.39 -0.22 0.74 -1.14 0.00 0.00 176.83 176.60 3dwl h THR 15 N 0.82 0.00 -0.80 -2.27 2.02 -1.20 -3.24 112.91 108.23 3dwl h THR 15 Ca 0.42 -0.02 0.19 0.00 0.77 0.00 0.00 66.41 67.77 3dwl h THR 15 Cb 0.40 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.69 3dwl h THR 15 CO -0.26 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 175.75 3dwl h LEU 16 N -0.64 -0.02 -1.17 2.58 4.07 -0.69 0.51 115.31 119.96 3dwl h LEU 16 Ca -0.06 0.17 0.18 0.00 0.08 0.00 0.00 57.88 58.25 3dwl h LEU 16 Cb 0.47 0.24 -0.09 0.00 1.08 0.00 0.00 40.66 42.36 3dwl h LEU 16 CO 0.10 -0.09 0.61 0.74 -1.08 0.00 0.00 178.44 178.72 3dwl h THR 17 N 0.24 0.73 0.02 0.22 2.02 -0.94 0.12 112.91 115.33 3dwl h THR 17 Ca 0.47 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 67.29 3dwl h THR 17 Cb 0.88 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3dwl h THR 17 CO -0.58 0.13 -0.66 0.00 0.37 0.00 0.00 175.52 174.77 3dwl h ALA 18 N 1.62 0.11 0.00 6.16 0.00 -0.68 -3.37 119.26 123.10 3dwl h ALA 18 Ca 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dwl h ALA 18 Cb 0.91 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dwl h ALA 18 CO -0.30 0.37 0.00 0.45 0.00 0.00 0.00 179.25 179.77 3dwl n SER 19 N -4.43 0.13 -2.68 0.00 2.88 0.15 -3.38 113.62 106.28 3dwl n SER 19 Ca -0.20 -1.70 -0.11 0.00 -1.33 0.00 0.00 58.87 55.53 3dwl n SER 19 Cb 0.62 -0.06 0.02 0.00 -0.75 0.00 0.00 64.21 64.04 3dwl n SER 19 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3dwl n LEU 20 N -0.41 1.69 -3.79 2.46 7.94 0.37 -4.81 117.00 120.44 3dwl n LEU 20 Ca 0.00 -3.94 -0.29 0.00 -1.11 0.00 0.00 56.01 50.67 3dwl n LEU 20 Cb 0.03 0.37 -0.13 0.00 0.53 0.00 0.00 43.42 44.22 3dwl n LEU 20 CO 0.00 1.67 -0.18 0.00 -1.11 0.00 0.00 177.39 177.78 3dwl s ALA 21 N -3.11 2.85 -0.06 1.96 0.00 -1.22 -4.93 121.76 117.25 3dwl s ALA 21 Ca 0.30 -3.11 0.03 0.00 0.00 0.00 0.00 51.96 49.18 3dwl s ALA 21 Cb 0.45 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3dwl s ALA 21 CO 0.01 -2.05 -0.15 -0.51 0.00 0.00 0.00 175.76 173.05 3dwl s LEU 22 N -0.36 2.65 0.42 0.00 1.43 -1.26 -4.99 118.68 116.57 3dwl s LEU 22 Ca 0.21 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 3dwl s LEU 22 Cb -0.16 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 3dwl s LEU 22 CO -0.07 0.31 0.61 -1.83 0.23 0.00 0.00 176.35 175.60 3dwl s GLU 23 N -0.50 3.01 -0.04 1.70 4.04 -0.96 -4.85 118.70 121.10 3dwl s GLU 23 Ca 0.07 -0.75 -0.30 0.00 0.04 0.00 0.00 54.97 54.02 3dwl s GLU 23 Cb -0.12 -2.66 -0.03 0.00 0.02 0.00 0.00 34.13 31.35 3dwl s GLU 23 CO 0.01 -0.21 1.13 -2.00 -1.84 0.00 0.00 175.26 172.35 3dwl s GLU 24 N -4.43 4.41 -0.08 -4.83 2.56 -1.26 -4.05 118.70 111.02 3dwl s GLU 24 Ca 0.49 1.59 -0.01 0.00 0.00 0.00 0.00 54.97 57.04 3dwl s GLU 24 Cb -0.10 -3.50 0.03 0.00 2.00 0.00 0.00 34.13 32.55 3dwl s GLU 24 CO 0.35 -0.33 -0.03 0.12 -0.56 0.00 0.00 175.26 174.81 3dwl s PHE 25 N 1.79 0.95 0.03 5.30 5.36 -1.26 -5.02 117.98 125.13 3dwl s PHE 25 Ca 0.54 -0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 56.03 3dwl s PHE 25 Cb -0.24 -0.92 -0.06 0.00 -0.34 0.00 0.00 43.02 41.47 3dwl s PHE 25 CO 0.23 -0.36 0.39 0.45 -1.46 0.00 0.00 175.22 174.47 3dwl s SER 26 N 1.68 6.72 1.11 6.13 0.15 -1.26 -4.59 113.70 123.62 3dwl s SER 26 Ca 0.02 0.87 -0.13 0.00 0.70 0.00 0.00 55.95 57.40 3dwl s SER 26 Cb -0.13 -2.21 0.25 0.00 -1.71 0.00 0.00 66.02 62.22 3dwl s SER 26 CO -0.05 0.26 1.06 -0.94 1.20 0.00 0.00 173.24 174.77 3dwl s SER 27 N -1.37 1.61 -0.11 5.45 1.04 -1.17 -4.99 113.70 114.16 3dwl s SER 27 Ca 0.27 1.26 0.15 0.00 0.48 0.00 0.00 55.95 58.12 3dwl s SER 27 Cb -0.15 -1.97 0.28 0.00 0.10 0.00 0.00 66.02 64.28 3dwl s SER 27 CO 0.15 -3.77 1.17 -0.62 0.98 0.00 0.00 173.24 171.15 3dwl n GLU 28 N -4.61 1.85 0.06 4.02 4.71 -1.26 -4.81 120.64 120.60 3dwl n GLU 28 Ca 0.04 -2.43 0.00 0.00 -0.01 0.00 0.00 57.16 54.77 3dwl n GLU 28 Cb 0.56 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.53 3dwl n GLU 28 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3dwl n ILE 29 N -1.09 0.98 -3.25 -3.67 2.08 -1.26 -5.07 119.36 108.07 3dwl n ILE 29 Ca 0.14 0.32 -0.39 0.00 0.56 0.00 0.00 62.75 63.39 3dwl n ILE 29 Cb 0.61 -1.39 -0.06 0.00 -0.75 0.00 0.00 39.64 38.05 3dwl n ILE 29 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3dwl s VAL 30 N -1.92 4.82 -0.68 1.39 1.01 -1.26 -4.95 120.40 118.82 3dwl s VAL 30 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 61.98 62.92 3dwl s VAL 30 Cb 0.00 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 3dwl s VAL 30 CO 0.00 0.50 2.52 -1.84 0.00 0.00 0.00 175.10 176.28 3dwl n GLU 31 N 2.16 0.66 -3.92 2.72 0.00 -1.26 -2.84 120.64 118.16 3dwl n GLU 31 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.71 3dwl n GLU 31 Cb 0.51 -2.71 0.01 0.00 0.00 0.00 0.00 31.44 29.25 3dwl n GLU 31 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 3dwl n ARG 32 N 8.81 -1.17 -3.92 3.44 0.00 -1.26 -5.00 116.66 117.56 3dwl n ARG 32 Ca 0.48 0.28 -0.26 0.00 -0.00 0.00 0.00 57.85 58.35 3dwl n ARG 32 Cb 0.35 -3.57 -0.02 0.00 -0.00 0.00 0.00 32.46 29.23 3dwl n ARG 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3dwl n GLN 33 N -4.57 0.76 -3.17 2.89 1.13 -1.13 -5.05 117.38 108.24 3dwl n GLN 33 Ca -0.15 -3.31 0.02 0.00 -1.94 0.00 0.00 57.00 51.63 3dwl n GLN 33 Cb 0.60 0.51 -0.01 0.00 0.11 0.00 0.00 30.24 31.45 3dwl n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3dwl s SER 34 N -3.93 -1.36 0.16 1.08 0.15 -1.26 -3.03 113.70 105.50 3dwl s SER 34 Ca 0.21 0.18 0.09 0.00 0.70 0.00 0.00 55.95 57.13 3dwl s SER 34 Cb -0.02 1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 66.18 3dwl s SER 34 CO 0.13 -0.30 -0.19 0.00 1.20 0.00 0.00 173.24 174.08 3dwl s GLN 35 N 2.80 1.28 -0.62 5.44 0.00 -1.26 -5.04 119.66 122.25 3dwl s GLN 35 Ca 0.11 -1.38 -0.31 0.00 -0.00 0.00 0.00 55.36 53.78 3dwl s GLN 35 Cb -0.11 -1.41 -0.14 0.00 0.00 0.00 0.00 33.01 31.35 3dwl s GLN 35 CO -0.26 0.30 2.43 -0.35 0.00 0.00 0.00 175.29 177.41 3dwl n PRO 36 N 0.44 0.64 0.12 9.60 -0.04 -1.26 -4.79 135.00 139.71 3dwl n PRO 36 Ca -0.14 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.48 3dwl n PRO 36 Cb 0.56 -2.39 0.44 0.00 -0.04 0.00 0.00 33.50 32.07 3dwl n PRO 36 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dwl n GLU 37 N 8.52 0.10 0.12 0.54 -0.58 -1.26 -0.61 120.64 127.47 3dwl n GLU 37 Ca 0.49 0.59 0.03 0.00 -0.42 0.00 0.00 57.16 57.86 3dwl n GLU 37 Cb 0.25 -1.84 0.01 0.00 -0.57 0.00 0.00 31.44 29.29 3dwl n GLU 37 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 3dwl h VAL 38 N 0.00 0.65 0.09 2.62 3.04 -1.86 -0.95 116.25 119.84 3dwl h VAL 38 Ca 0.00 -1.99 -0.26 0.00 -1.01 0.00 0.00 66.70 63.44 3dwl h VAL 38 Cb 0.01 2.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 3dwl h VAL 38 CO 0.00 0.37 -1.24 -0.33 -1.01 0.00 0.00 177.57 175.37 3dwl h GLU 39 N 0.00 0.19 0.11 4.17 4.39 -1.24 -3.32 114.58 118.88 3dwl h GLU 39 Ca -0.04 -0.33 -0.20 0.00 0.34 0.00 0.00 59.36 59.12 3dwl h GLU 39 Cb 1.37 0.12 0.01 0.00 -0.10 0.00 0.00 28.75 30.15 3dwl h GLU 39 CO 0.05 1.13 -0.99 -0.39 -1.16 0.00 0.00 179.01 177.66 3dwl h VAL 40 N 0.05 1.32 -0.34 3.13 -1.51 -1.65 -3.48 116.25 113.78 3dwl h VAL 40 Ca -0.12 -2.45 -0.15 0.00 -1.23 0.00 0.00 66.70 62.75 3dwl h VAL 40 Cb 1.93 2.98 -0.06 0.00 -2.13 0.00 0.00 31.29 34.01 3dwl h VAL 40 CO 0.18 0.68 -0.13 0.61 -1.23 0.00 0.00 177.57 177.67 3dwl n GLY 41 N 1.68 0.73 2.58 5.19 0.00 -0.36 -4.88 105.19 110.13 3dwl n GLY 41 Ca -0.19 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3dwl n GLY 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dwl n ARG 42 N -0.58 4.34 0.00 1.61 0.63 -1.26 -4.48 116.66 116.91 3dwl n ARG 42 Ca -0.07 -3.68 0.00 0.00 -0.92 0.00 0.00 57.85 53.18 3dwl n ARG 42 Cb 0.51 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.96 3dwl n ARG 42 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3dwl n SER 43 N 0.78 0.00 0.27 6.15 3.41 -1.26 -5.02 113.62 117.95 3dwl n SER 43 Ca 0.55 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3dwl n SER 43 Cb 0.30 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.01 3dwl n SER 43 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3dwl h PRO 44 N 0.00 0.00 -1.05 4.33 0.13 -1.94 -1.43 132.00 132.04 3dwl h PRO 44 Ca 0.00 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.42 3dwl h PRO 44 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3dwl h PRO 44 CO 0.00 0.05 0.74 1.05 -0.23 0.00 0.00 178.00 179.61 3dwl h GLU 45 N 0.00 0.11 0.00 0.86 4.11 -1.97 -3.10 114.58 114.59 3dwl h GLU 45 Ca -0.00 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 3dwl h GLU 45 Cb 0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3dwl h GLU 45 CO 0.01 0.07 -1.82 -0.89 0.07 0.00 0.00 179.01 176.45 3dwl n ILE 46 N -4.33 0.52 -2.27 -1.06 -0.00 -0.55 -4.97 119.36 106.70 3dwl n ILE 46 Ca 0.23 -0.47 -0.34 0.00 -0.00 0.00 0.00 62.75 62.17 3dwl n ILE 46 Cb 1.05 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.64 40.40 3dwl n ILE 46 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3dwl s LEU 47 N -4.56 3.68 0.00 1.39 1.43 -1.16 -1.67 118.68 117.79 3dwl s LEU 47 Ca -0.06 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 3dwl s LEU 47 Cb 0.06 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.73 3dwl s LEU 47 CO 0.58 -1.05 0.00 0.18 0.23 0.00 0.00 176.35 176.30 3dwl n LEU 48 N -1.48 0.00 -4.75 1.79 4.77 0.70 -4.93 117.00 113.11 3dwl n LEU 48 Ca 0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.71 3dwl n LEU 48 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 3dwl n LEU 48 CO 0.43 -0.02 -0.05 -0.75 -1.33 0.00 0.00 177.39 175.67 3dwl s LYS 49 N 2.33 4.15 0.30 3.23 2.20 -1.26 -4.82 119.74 125.87 3dwl s LYS 49 Ca 0.00 0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.37 3dwl s LYS 49 Cb 0.00 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.84 3dwl s LYS 49 CO 0.00 0.33 1.00 -1.25 -0.36 0.00 0.00 175.35 175.07 3dwl s PRO 50 N 0.21 4.59 0.13 4.03 0.04 -1.26 -4.60 135.00 138.14 3dwl s PRO 50 Ca 0.15 1.53 0.10 0.00 0.04 0.00 0.00 61.00 62.83 3dwl s PRO 50 Cb -0.13 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 3dwl s PRO 50 CO 0.03 0.25 -0.24 -0.51 0.04 0.00 0.00 177.00 176.57 3dwl s LEU 51 N -1.77 2.43 0.12 -3.56 2.01 -0.46 -4.97 118.68 112.47 3dwl s LEU 51 Ca 0.48 -0.71 0.11 0.00 0.01 0.00 0.00 54.13 54.02 3dwl s LEU 51 Cb -0.25 -1.31 -0.04 0.00 0.01 0.00 0.00 46.19 44.61 3dwl s LEU 51 CO 0.31 0.17 -0.27 0.68 1.01 0.00 0.00 176.35 178.26 3dwl s VAL 52 N -1.13 2.27 -0.24 -1.59 -7.23 -1.26 0.61 120.40 111.83 3dwl s VAL 52 Ca 0.16 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3dwl s VAL 52 Cb -0.10 -1.99 0.06 0.00 0.56 0.00 0.00 36.38 34.91 3dwl s VAL 52 CO 0.07 0.13 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.28 3dwl s VAL 53 N -1.03 1.34 0.06 1.32 1.01 0.30 -4.98 120.40 118.42 3dwl s VAL 53 Ca 0.14 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 3dwl s VAL 53 Cb -0.10 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3dwl s VAL 53 CO 0.06 -0.18 0.08 -1.54 0.00 0.00 0.00 175.10 173.51 3dwl n SER 54 N 4.73 0.06 0.00 3.32 3.41 -1.26 -1.88 113.62 122.00 3dwl n SER 54 Ca -0.10 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 3dwl n SER 54 Cb 0.44 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3dwl n SER 54 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3dwl n ARG 55 N -1.16 0.00 -3.86 4.33 0.63 -0.99 -4.84 116.66 110.77 3dwl n ARG 55 Ca 0.01 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 3dwl n ARG 55 Cb 0.04 -0.03 0.01 0.00 0.45 0.00 0.00 32.46 32.93 3dwl n ARG 55 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3dwl s ASN 56 N -1.74 0.10 0.55 6.15 2.20 -1.20 -5.00 114.94 115.99 3dwl s ASN 56 Ca 0.00 -1.13 0.30 0.00 -0.94 0.00 0.00 52.86 51.10 3dwl s ASN 56 Cb 0.00 0.81 1.47 0.00 -2.00 0.00 0.00 41.25 41.52 3dwl s ASN 56 CO 0.00 -1.59 1.90 1.05 -2.94 0.00 0.00 177.10 175.53 3dwl h GLU 57 N 2.02 0.00 0.00 3.55 -0.00 -2.04 -3.14 114.58 114.97 3dwl h GLU 57 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 3dwl h GLU 57 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 3dwl h GLU 57 CO 0.38 0.00 0.00 1.04 -0.00 0.00 0.00 179.01 180.43 3dwl n GLN 58 N -4.19 0.00 -3.03 1.06 1.13 -1.26 -4.91 117.38 106.18 3dwl n GLN 58 Ca 0.16 0.31 -0.39 0.00 -1.94 0.00 0.00 57.00 55.13 3dwl n GLN 58 Cb 0.87 -0.92 -0.06 0.00 0.11 0.00 0.00 30.24 30.25 3dwl n GLN 58 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dwl s GLU 59 N -0.97 4.48 0.08 -1.09 2.02 -1.19 -4.79 118.70 117.24 3dwl s GLU 59 Ca 0.00 1.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.78 3dwl s GLU 59 Cb 0.00 -3.29 0.09 0.00 0.10 0.00 0.00 34.13 31.03 3dwl s GLU 59 CO 0.00 0.48 1.15 1.14 0.02 0.00 0.00 175.26 178.05 3dwl s GLN 60 N -0.76 0.83 -0.27 1.61 -2.07 -1.16 -2.34 119.66 115.50 3dwl s GLN 60 Ca 0.35 -0.50 -0.23 0.00 -1.82 0.00 0.00 55.36 53.16 3dwl s GLN 60 Cb -0.22 0.25 0.08 0.00 -1.09 0.00 0.00 33.01 32.04 3dwl s GLN 60 CO 0.24 -0.39 0.74 0.00 -1.32 0.00 0.00 175.29 174.56 3dwl s LEU 62 N 0.63 3.88 -0.23 0.00 2.34 -0.66 -0.54 118.68 124.09 3dwl s LEU 62 Ca -0.02 0.04 0.00 0.00 0.06 0.00 0.00 54.13 54.22 3dwl s LEU 62 Cb -0.05 -2.52 0.06 0.00 -0.56 0.00 0.00 46.19 43.12 3dwl s LEU 62 CO -0.04 0.18 -0.04 -0.63 -1.06 0.00 0.00 176.35 174.76 3dwl s ILE 63 N -1.38 1.41 -0.30 1.48 1.09 0.20 -1.69 121.20 122.01 3dwl s ILE 63 Ca 0.29 -1.14 -0.09 0.00 -1.10 0.00 0.00 60.65 58.61 3dwl s ILE 63 Cb -0.12 -1.70 -0.00 0.00 -1.06 0.00 0.00 42.46 39.57 3dwl s ILE 63 CO 0.22 -0.12 0.13 -1.61 -0.10 0.00 0.00 174.94 173.46 3dwl s GLU 64 N 1.45 3.30 0.00 2.79 2.02 -0.86 -1.36 118.70 126.05 3dwl s GLU 64 Ca -0.05 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.28 3dwl s GLU 64 Cb -0.19 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.53 3dwl s GLU 64 CO -0.06 -0.40 -0.24 0.45 0.02 0.00 0.00 175.26 175.02 3dwl s SER 65 N 1.58 3.24 0.22 -0.19 0.15 -1.26 -0.50 113.70 116.94 3dwl s SER 65 Ca 0.04 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.21 3dwl s SER 65 Cb -0.17 -0.39 -0.05 0.00 -1.71 0.00 0.00 66.02 63.70 3dwl s SER 65 CO 0.05 0.30 0.10 -0.94 1.20 0.00 0.00 173.24 173.94 3dwl s SER 66 N -0.90 0.75 0.29 5.45 1.04 0.78 -0.22 113.70 120.89 3dwl s SER 66 Ca 0.11 -1.35 0.03 0.00 0.48 0.00 0.00 55.95 55.22 3dwl s SER 66 Cb -0.10 0.25 0.67 0.00 0.10 0.00 0.00 66.02 66.94 3dwl s SER 66 CO 0.01 -0.75 1.75 1.62 0.98 0.00 0.00 173.24 176.85 3dwl h VAL 67 N 2.54 0.66 -0.00 5.02 3.04 -1.68 -2.87 116.25 122.96 3dwl h VAL 67 Ca -0.37 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3dwl h VAL 67 Cb 1.24 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3dwl h VAL 67 CO 0.58 0.11 -0.26 -0.46 -1.01 0.00 0.00 177.57 176.54 3dwl n ASN 68 N -4.87 0.85 -3.68 3.17 6.94 -1.26 -2.25 115.26 114.16 3dwl n ASN 68 Ca 0.21 -0.93 -0.12 0.00 -0.02 0.00 0.00 54.58 53.73 3dwl n ASN 68 Cb 0.55 0.67 -0.06 0.00 -2.36 0.00 0.00 39.78 38.58 3dwl n ASN 68 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 3dwl s SER 69 N -1.44 -0.21 0.03 0.53 0.01 -1.08 -0.30 113.70 111.23 3dwl s SER 69 Ca 0.06 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.16 3dwl s SER 69 Cb 0.07 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 3dwl s SER 69 CO 0.26 -0.72 -0.07 0.54 0.41 0.00 0.00 173.24 173.66 3dwl s VAL 70 N -3.03 0.52 -0.35 3.43 0.11 0.16 -0.16 120.40 121.09 3dwl s VAL 70 Ca -0.02 -0.81 0.04 0.00 -2.93 0.00 0.00 61.98 58.26 3dwl s VAL 70 Cb 0.00 -0.54 0.10 0.00 -1.53 0.00 0.00 36.38 34.42 3dwl s VAL 70 CO -0.06 -0.21 0.07 -0.60 -3.33 0.00 0.00 175.10 170.96 3dwl s ARG 71 N -1.11 1.49 -0.23 1.54 3.52 0.34 -1.08 118.95 123.42 3dwl s ARG 71 Ca -0.06 -1.91 -0.12 0.00 -0.13 0.00 0.00 55.73 53.51 3dwl s ARG 71 Cb -0.07 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 3dwl s ARG 71 CO 0.00 -0.96 0.25 0.12 -0.81 0.00 0.00 175.30 173.90 3dwl s PHE 72 N 0.83 3.32 -0.05 5.12 5.36 -0.16 -2.02 117.98 130.38 3dwl s PHE 72 Ca 0.11 0.34 0.04 0.00 -0.96 0.00 0.00 56.93 56.47 3dwl s PHE 72 Cb -0.20 -2.37 -0.00 0.00 -0.34 0.00 0.00 43.02 40.11 3dwl s PHE 72 CO -0.08 0.01 -0.16 -1.12 -1.46 0.00 0.00 175.22 172.40 3dwl s SER 73 N 1.15 2.12 -0.01 6.13 0.01 -0.68 0.16 113.70 122.58 3dwl s SER 73 Ca 0.11 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.04 3dwl s SER 73 Cb -0.14 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.38 3dwl s SER 73 CO 0.06 0.13 -0.03 -0.63 0.41 0.00 0.00 173.24 173.18 3dwl s ILE 74 N 0.16 3.90 -0.35 1.44 1.01 0.01 -1.66 121.20 125.72 3dwl s ILE 74 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3dwl s ILE 74 Cb -0.12 -2.71 0.09 0.00 0.01 0.00 0.00 42.46 39.73 3dwl s ILE 74 CO 0.03 0.41 0.07 -0.60 0.00 0.00 0.00 174.94 174.84 3dwl s ARG 75 N -1.42 1.88 0.41 2.79 3.52 0.37 -0.46 118.95 126.04 3dwl s ARG 75 Ca 0.18 -1.70 -0.17 0.00 -0.13 0.00 0.00 55.73 53.90 3dwl s ARG 75 Cb -0.11 -3.28 -0.09 0.00 -1.56 0.00 0.00 34.95 29.90 3dwl s ARG 75 CO 0.08 -0.89 0.87 0.42 -0.81 0.00 0.00 175.30 174.97 3dwl s ILE 76 N 1.05 4.55 -0.33 4.11 1.01 -1.26 -2.97 121.20 127.37 3dwl s ILE 76 Ca 0.05 1.18 -0.27 0.00 0.00 0.00 0.00 60.65 61.61 3dwl s ILE 76 Cb -0.20 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 3dwl s ILE 76 CO -0.05 -0.36 2.23 -0.75 0.00 0.00 0.00 174.94 176.00 3dwl s LYS 77 N -3.35 2.80 -0.07 2.79 2.20 -1.26 -4.81 119.74 118.05 3dwl s LYS 77 Ca 0.58 1.73 0.02 0.00 -0.36 0.00 0.00 55.97 57.94 3dwl s LYS 77 Cb -0.10 -4.43 0.02 0.00 -1.51 0.00 0.00 37.83 31.81 3dwl s LYS 77 CO 0.20 -2.49 -0.10 -0.65 -0.36 0.00 0.00 175.35 171.95 3dwl s GLN 78 N 6.93 1.53 -0.00 4.03 -0.21 -1.26 -4.96 119.66 125.72 3dwl s GLN 78 Ca 0.97 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 56.03 3dwl s GLN 78 Cb -0.26 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 3dwl s GLN 78 CO 0.32 -0.02 0.08 1.33 -2.12 0.00 0.00 175.29 174.87 3dwl n VAL 79 N 3.98 0.00 0.00 1.09 0.24 -1.26 -4.97 118.33 117.41 3dwl n VAL 79 Ca -0.22 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 3dwl n VAL 79 Cb 0.51 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3dwl n VAL 79 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3dwl n ASP 80 N -1.34 0.01 -0.04 -1.34 5.68 -1.26 -5.06 116.55 113.20 3dwl n ASP 80 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 3dwl n ASP 80 Cb 0.05 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 3dwl n ASP 80 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3dwl n GLU 81 N 0.00 0.32 -0.23 0.11 0.28 -1.26 -4.22 120.64 115.64 3dwl n GLU 81 Ca 0.00 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 3dwl n GLU 81 Cb 0.00 -1.06 0.12 0.00 1.43 0.00 0.00 31.44 31.93 3dwl n GLU 81 CO 0.00 0.00 0.00 0.97 -0.16 0.00 0.00 177.13 177.94 3dwl h ILE 82 N -0.60 0.87 -0.14 3.84 6.09 -2.00 -1.73 117.51 123.84 3dwl h ILE 82 Ca -0.05 -0.20 -0.16 0.00 -1.37 0.00 0.00 64.86 63.08 3dwl h ILE 82 Cb 0.69 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.20 3dwl h ILE 82 CO -0.03 0.11 -0.58 -0.08 -3.07 0.00 0.00 178.15 174.50 3dwl h GLU 83 N 0.59 0.45 -0.40 2.19 4.81 -1.96 -1.56 114.58 118.69 3dwl h GLU 83 Ca 0.33 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3dwl h GLU 83 Cb 0.32 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3dwl h GLU 83 CO -0.25 0.90 0.06 0.00 -0.73 0.00 0.00 179.01 178.99 3dwl h ARG 84 N 0.34 0.60 0.19 1.92 3.08 -1.51 -2.67 114.38 116.33 3dwl h ARG 84 Ca -0.00 -0.12 -0.34 0.00 0.07 0.00 0.00 59.98 59.60 3dwl h ARG 84 Cb 1.11 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.08 3dwl h ARG 84 CO 0.10 0.58 -1.64 0.82 -1.07 0.00 0.00 179.97 178.76 3dwl h ILE 85 N 0.58 1.02 -0.97 2.04 5.03 -1.40 -3.19 117.51 120.62 3dwl h ILE 85 Ca 0.13 -2.52 0.26 0.00 -0.12 0.00 0.00 64.86 62.61 3dwl h ILE 85 Cb 0.28 2.81 -0.05 0.00 -3.03 0.00 0.00 36.82 36.83 3dwl h ILE 85 CO 0.00 0.83 0.67 -0.07 -0.68 0.00 0.00 178.15 178.90 3dwl h LEU 86 N 0.04 0.16 0.13 1.44 3.38 -1.06 0.38 115.31 119.78 3dwl h LEU 86 Ca -0.32 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.44 3dwl h LEU 86 Cb 2.05 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.81 3dwl h LEU 86 CO 0.18 0.05 -1.11 -0.37 0.09 0.00 0.00 178.44 177.27 3dwl h VAL 87 N 0.15 1.28 0.00 1.22 -1.51 -1.62 -3.19 116.25 112.57 3dwl h VAL 87 Ca 0.49 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.48 3dwl h VAL 87 Cb 1.65 2.96 0.00 0.00 -2.13 0.00 0.00 31.29 33.77 3dwl h VAL 87 CO -0.09 0.71 0.00 -1.14 -1.23 0.00 0.00 177.57 175.82 3dwl n ARG 88 N -4.03 0.04 -0.02 5.19 0.63 0.04 0.67 116.66 119.18 3dwl n ARG 88 Ca -0.19 0.29 0.01 0.00 -0.92 0.00 0.00 57.85 57.04 3dwl n ARG 88 Cb 0.86 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 32.21 3dwl n ARG 88 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3dwl n LYS 89 N -1.32 1.28 -0.02 -0.14 5.02 -0.70 -3.09 118.16 119.19 3dwl n LYS 89 Ca 0.01 -0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.10 3dwl n LYS 89 Cb 0.03 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 3dwl n LYS 89 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3dwl h PHE 90 N 0.00 0.50 -0.28 2.13 3.04 -1.02 -1.61 116.94 119.70 3dwl h PHE 90 Ca -0.09 -0.23 -0.07 0.00 3.98 0.00 0.00 57.97 61.56 3dwl h PHE 90 Cb 0.84 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 3dwl h PHE 90 CO 0.00 1.00 -0.10 0.52 -2.02 0.00 0.00 178.31 177.71 3dwl h MET 91 N -0.15 0.56 0.00 1.11 2.86 0.01 -0.59 114.93 118.74 3dwl h MET 91 Ca -0.03 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3dwl h MET 91 Cb 1.06 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.70 3dwl h MET 91 CO 0.08 0.78 0.00 0.37 1.06 0.00 0.00 176.91 179.20 3dwl h GLN 92 N 0.31 0.00 0.00 1.72 5.75 -1.63 -2.42 115.11 118.85 3dwl h GLN 92 Ca 0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3dwl h GLN 92 Cb 0.60 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 3dwl h GLN 92 CO 0.03 0.00 -0.13 0.35 -2.65 0.00 0.00 178.83 176.44 3dwl h PHE 93 N 0.00 0.00 -0.92 3.99 3.04 -0.99 -3.32 116.94 118.74 3dwl h PHE 93 Ca 0.00 0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.14 3dwl h PHE 93 Cb 0.29 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.69 3dwl h PHE 93 CO 0.00 0.22 0.48 -0.07 -2.02 0.00 0.00 178.31 176.92 3dwl h LEU 94 N -1.00 0.55 -1.47 0.59 3.38 -0.97 0.19 115.31 116.57 3dwl h LEU 94 Ca -0.01 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3dwl h LEU 94 Cb 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dwl h LEU 94 CO -0.01 0.16 -0.27 0.24 0.09 0.00 0.00 178.44 178.66 3dwl h MET 95 N 0.59 0.00 -0.11 1.13 2.86 -1.62 0.11 114.93 117.89 3dwl h MET 95 Ca 0.54 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 3dwl h MET 95 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3dwl h MET 95 CO -0.42 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.22 3dwl n GLY 96 N -0.73 -0.54 0.25 8.32 0.00 0.65 -2.70 105.19 110.44 3dwl n GLY 96 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3dwl n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dwl n ARG 97 N -0.42 0.59 0.03 1.61 5.12 0.02 -4.89 116.66 118.72 3dwl n ARG 97 Ca 0.00 -1.30 0.04 0.00 -1.93 0.00 0.00 57.85 54.66 3dwl n ARG 97 Cb 0.03 -0.78 0.19 0.00 -1.16 0.00 0.00 32.46 30.74 3dwl n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dwl n ALA 98 N -0.38 1.21 0.03 7.54 0.00 -1.10 -1.15 120.51 126.67 3dwl n ALA 98 Ca 0.04 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.30 3dwl n ALA 98 Cb 0.60 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 3dwl n ALA 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dwl h GLU 99 N 0.00 0.69 0.05 0.00 4.81 -1.90 -3.26 114.58 114.98 3dwl h GLU 99 Ca 0.00 -0.72 -0.30 0.00 -0.13 0.00 0.00 59.36 58.21 3dwl h GLU 99 Cb 0.09 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3dwl h GLU 99 CO 0.00 1.30 -1.64 0.77 -0.73 0.00 0.00 179.01 178.72 3dwl h SER 100 N 0.37 0.18 -1.83 1.04 0.02 -1.73 -3.37 113.55 108.23 3dwl h SER 100 Ca -0.12 -0.32 -0.77 0.00 -0.84 0.00 0.00 61.79 59.75 3dwl h SER 100 Cb 1.63 -0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.93 3dwl h SER 100 CO 0.19 1.27 1.67 0.33 -1.14 0.00 0.00 176.83 179.16 3dwl n PHE 101 N -3.26 3.01 0.31 3.45 -0.00 -0.30 -4.87 117.46 115.79 3dwl n PHE 101 Ca -0.18 -2.82 0.20 0.00 -0.00 0.00 0.00 57.45 54.66 3dwl n PHE 101 Cb 1.04 -1.81 1.05 0.00 -0.00 0.00 0.00 39.48 39.75 3dwl n PHE 101 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3dwl h PHE 102 N 5.81 0.00 -0.12 -5.13 -5.15 -1.72 -2.00 116.94 108.62 3dwl h PHE 102 Ca 0.34 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.11 3dwl h PHE 102 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.82 3dwl h PHE 102 CO 1.18 0.00 0.00 0.44 -2.00 0.00 0.00 178.31 177.93 3dwl n ILE 103 N -2.93 0.15 -3.16 0.88 -5.35 -1.26 -4.90 119.36 102.80 3dwl n ILE 103 Ca -0.02 -0.27 -0.30 0.00 -0.27 0.00 0.00 62.75 61.88 3dwl n ILE 103 Cb 0.09 0.26 -0.04 0.00 -1.74 0.00 0.00 39.64 38.22 3dwl n ILE 103 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3dwl s LEU 104 N -1.63 4.00 0.18 7.28 1.43 -0.75 -1.30 118.68 127.88 3dwl s LEU 104 Ca 0.33 0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 54.20 3dwl s LEU 104 Cb 0.17 -3.79 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3dwl s LEU 104 CO 0.27 -0.25 0.68 -0.13 0.23 0.00 0.00 176.35 177.15 3dwl s ARG 105 N -3.46 4.23 0.16 1.70 1.81 0.97 -4.52 118.95 119.84 3dwl s ARG 105 Ca 0.48 0.82 -0.16 0.00 -1.72 0.00 0.00 55.73 55.15 3dwl s ARG 105 Cb -0.11 -2.98 0.06 0.00 -0.45 0.00 0.00 34.95 31.47 3dwl s ARG 105 CO 0.27 0.46 1.77 0.07 -0.68 0.00 0.00 175.30 177.20 3dwl h ARG 106 N 3.69 0.35 -5.80 3.54 0.11 -1.89 -3.43 114.38 110.95 3dwl h ARG 106 Ca -0.48 -0.02 -0.53 0.00 0.10 0.00 0.00 59.98 59.05 3dwl h ARG 106 Cb 1.20 -0.08 -0.25 0.00 1.11 0.00 0.00 29.97 31.95 3dwl h ARG 106 CO 0.65 0.23 -0.82 -1.59 0.10 0.00 0.00 179.97 178.54 3dwl s LYS 107 N -6.16 1.22 0.84 0.08 -2.85 -1.26 -4.90 119.74 106.72 3dwl s LYS 107 Ca -0.13 -0.87 -0.10 0.00 -1.00 0.00 0.00 55.97 53.87 3dwl s LYS 107 Cb 0.12 -1.30 0.15 0.00 -2.06 0.00 0.00 37.83 34.74 3dwl s LYS 107 CO 0.72 0.33 1.17 -1.25 0.10 0.00 0.00 175.35 176.42 3dwl s PRO 108 N -1.15 1.28 0.26 1.78 0.04 -1.26 -4.85 135.00 131.10 3dwl s PRO 108 Ca 0.05 -0.53 -0.29 0.00 0.04 0.00 0.00 61.00 60.27 3dwl s PRO 108 Cb -0.08 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3dwl s PRO 108 CO 0.02 -1.90 1.14 0.08 0.04 0.00 0.00 177.00 176.37 3dwl s VAL 109 N -3.56 3.44 -0.26 -0.36 1.01 -1.26 -4.91 120.40 114.51 3dwl s VAL 109 Ca 0.69 1.40 -0.37 0.00 0.00 0.00 0.00 61.98 63.70 3dwl s VAL 109 Cb -0.06 -3.89 -0.13 0.00 0.00 0.00 0.00 36.38 32.30 3dwl s VAL 109 CO 0.49 0.31 1.94 1.67 0.00 0.00 0.00 175.10 179.51 3dwl n GLN 110 N 1.43 1.40 -0.61 2.72 7.27 -1.26 -0.87 117.38 127.46 3dwl n GLN 110 Ca 0.00 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.55 3dwl n GLN 110 Cb 0.45 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.72 3dwl n GLN 110 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dwl n GLY 111 N 5.10 0.75 3.15 1.69 0.00 -1.26 -5.08 105.19 109.54 3dwl n GLY 111 Ca 0.31 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 3dwl n GLY 111 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dwl s TYR 112 N -2.00 0.91 -0.08 1.61 1.51 -0.05 -4.92 117.35 114.33 3dwl s TYR 112 Ca 0.00 -0.73 -0.19 0.00 -1.01 0.00 0.00 57.07 55.14 3dwl s TYR 112 Cb 0.00 -0.52 -0.29 0.00 -0.11 0.00 0.00 41.96 41.04 3dwl s TYR 112 CO 0.00 -0.08 0.72 -0.44 -1.11 0.00 0.00 175.55 174.65 3dwl h ASP 113 N 3.51 0.42 -5.08 2.29 3.32 -1.04 -3.42 116.42 116.42 3dwl h ASP 113 Ca -0.36 -0.90 -0.12 0.00 0.02 0.00 0.00 57.03 55.67 3dwl h ASP 113 Cb 1.18 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 3dwl h ASP 113 CO 0.55 1.51 -0.47 -0.51 -1.72 0.00 0.00 179.24 178.59 3dwl s ILE 114 N -2.45 0.12 -0.00 0.35 -1.16 -1.18 -4.82 121.20 112.06 3dwl s ILE 114 Ca -0.17 -1.01 -0.00 0.00 -0.51 0.00 0.00 60.65 58.96 3dwl s ILE 114 Cb 0.03 -0.89 0.01 0.00 0.61 0.00 0.00 42.46 42.22 3dwl s ILE 114 CO 0.80 -0.56 0.01 -0.44 -2.81 0.00 0.00 174.94 171.94 3dwl s SER 115 N -2.09 0.01 -0.13 4.50 0.01 -1.26 -0.81 113.70 113.93 3dwl s SER 115 Ca -0.05 0.01 -0.06 0.00 1.31 0.00 0.00 55.95 57.16 3dwl s SER 115 Cb -0.01 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 3dwl s SER 115 CO -0.04 -0.02 0.07 -0.36 0.41 0.00 0.00 173.24 173.30 3dwl s PHE 116 N 0.20 3.36 -0.47 2.43 0.08 0.43 -0.02 117.98 123.99 3dwl s PHE 116 Ca -0.02 0.29 -0.03 0.00 0.12 0.00 0.00 56.93 57.29 3dwl s PHE 116 Cb -0.02 -1.94 0.12 0.00 -0.57 0.00 0.00 43.02 40.61 3dwl s PHE 116 CO -0.01 0.48 0.27 -1.17 -0.10 0.00 0.00 175.22 174.70 3dwl s LEU 117 N -0.55 5.27 -0.32 -0.37 2.96 -0.42 -0.99 118.68 124.25 3dwl s LEU 117 Ca 0.11 -2.25 -0.15 0.00 -0.22 0.00 0.00 54.13 51.62 3dwl s LEU 117 Cb -0.12 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 3dwl s LEU 117 CO 0.02 -0.51 0.39 -0.63 -1.32 0.00 0.00 176.35 174.30 3dwl s ILE 118 N 0.83 5.15 0.35 6.68 -1.09 -0.24 -4.74 121.20 128.14 3dwl s ILE 118 Ca 0.10 0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 3dwl s ILE 118 Cb -0.22 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 3dwl s ILE 118 CO -0.04 -0.04 0.51 0.42 -1.23 0.00 0.00 174.94 174.55 3dwl s THR 119 N 2.09 4.39 0.56 2.92 -4.23 -1.26 -0.66 115.64 119.44 3dwl s THR 119 Ca 0.14 -0.82 0.26 0.00 -1.18 0.00 0.00 61.69 60.08 3dwl s THR 119 Cb -0.16 -3.56 0.36 0.00 1.34 0.00 0.00 72.50 70.48 3dwl s THR 119 CO 0.11 -0.27 2.07 -0.55 -0.54 0.00 0.00 174.62 175.45 3dwl h ASN 120 N 0.81 0.00 0.07 3.99 -1.07 -0.95 0.52 115.58 118.96 3dwl h ASN 120 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 55.89 3dwl h ASN 120 Cb 1.25 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3dwl h ASN 120 CO 0.56 0.00 -0.04 1.88 0.07 0.00 0.00 177.43 179.91 3dwl h TYR 121 N 0.00 0.00 0.15 4.14 -1.99 -1.94 -2.81 116.97 114.53 3dwl h TYR 121 Ca 0.12 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.53 3dwl h TYR 121 Cb 0.58 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.31 3dwl h TYR 121 CO 0.00 0.04 -1.61 0.45 -0.00 0.00 0.00 178.16 177.04 3dwl h HIS 122 N 0.00 0.58 0.00 4.88 3.86 -1.28 -3.03 115.15 120.17 3dwl h HIS 122 Ca -0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 3dwl h HIS 122 Cb 0.08 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3dwl h HIS 122 CO 0.00 1.63 0.00 0.25 0.86 0.00 0.00 177.93 180.67 3dwl n THR 123 N -3.74 1.58 0.00 2.45 -2.24 -1.06 -1.86 114.28 109.41 3dwl n THR 123 Ca -0.25 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3dwl n THR 123 Cb 0.99 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3dwl n THR 123 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dwl n GLU 124 N 1.18 0.00 -0.27 -0.78 1.02 -1.21 -4.67 120.64 115.92 3dwl n GLU 124 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3dwl n GLU 124 Cb 0.48 -0.21 0.06 0.00 -0.02 0.00 0.00 31.44 31.75 3dwl n GLU 124 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3dwl h GLU 125 N 0.00 0.99 -5.69 3.49 5.08 -1.37 -3.43 114.58 113.65 3dwl h GLU 125 Ca 0.00 -0.08 -0.61 0.00 -1.00 0.00 0.00 59.36 57.67 3dwl h GLU 125 Cb 0.00 -0.21 -0.10 0.00 0.50 0.00 0.00 28.75 28.94 3dwl h GLU 125 CO 0.00 0.68 -0.50 0.00 -1.00 0.00 0.00 179.01 178.19 3dwl s MET 126 N -6.04 2.16 0.33 2.33 0.23 -0.78 -5.10 119.30 112.42 3dwl s MET 126 Ca -0.13 -2.06 -0.21 0.00 -1.03 0.00 0.00 55.69 52.27 3dwl s MET 126 Cb 0.15 -1.81 -0.10 0.00 -1.53 0.00 0.00 34.83 31.54 3dwl s MET 126 CO 0.78 -0.22 0.85 -0.51 -2.03 0.00 0.00 175.02 173.88 3dwl s LEU 127 N -3.90 4.17 0.21 0.18 1.43 -1.26 -4.49 118.68 115.01 3dwl s LEU 127 Ca 0.31 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 3dwl s LEU 127 Cb 0.04 -4.08 0.27 0.00 0.03 0.00 0.00 46.19 42.46 3dwl s LEU 127 CO 0.17 -0.16 1.30 2.29 0.23 0.00 0.00 176.35 180.18 3dwl n LYS 128 N 0.05 -0.15 -0.04 1.70 2.85 -1.26 -2.29 118.16 119.02 3dwl n LYS 128 Ca 0.03 1.29 -0.19 0.00 -1.05 0.00 0.00 58.31 58.39 3dwl n LYS 128 Cb 0.52 -1.93 -0.13 0.00 -0.65 0.00 0.00 35.03 32.84 3dwl n LYS 128 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 3dwl n HIS 129 N -5.28 0.80 -0.26 5.58 1.44 -1.26 -3.39 115.22 112.84 3dwl n HIS 129 Ca 0.10 0.18 0.30 0.00 -2.01 0.00 0.00 57.72 56.29 3dwl n HIS 129 Cb 0.37 -1.11 0.69 0.00 0.12 0.00 0.00 29.99 30.06 3dwl n HIS 129 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3dwl h LYS 130 N 0.04 0.09 0.24 -1.40 6.56 -1.88 0.57 116.57 120.79 3dwl h LYS 130 Ca -0.47 -0.01 -0.33 0.00 -1.06 0.00 0.00 60.65 58.78 3dwl h LYS 130 Cb 2.00 -0.02 0.04 0.00 -0.57 0.00 0.00 32.23 33.67 3dwl h LYS 130 CO 0.03 0.06 -1.46 1.25 -2.06 0.00 0.00 179.45 177.27 3dwl h LEU 131 N 0.09 0.81 0.56 2.94 5.85 -1.58 -2.77 115.31 121.20 3dwl h LEU 131 Ca 0.51 -0.86 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3dwl h LEU 131 Cb 1.86 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3dwl h LEU 131 CO -0.06 1.68 -0.29 0.58 -0.34 0.00 0.00 178.44 180.00 3dwl h VAL 132 N 0.14 0.40 -1.03 1.05 2.07 -0.43 -2.43 116.25 116.02 3dwl h VAL 132 Ca -0.24 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.56 3dwl h VAL 132 Cb 2.15 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 3dwl h VAL 132 CO 0.27 0.00 0.72 0.44 0.02 0.00 0.00 177.57 179.02 3dwl h ASP 133 N -0.78 0.13 -0.01 0.57 5.19 -0.19 -1.59 116.42 119.74 3dwl h ASP 133 Ca -0.07 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3dwl h ASP 133 Cb 0.62 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 3dwl h ASP 133 CO 0.11 0.03 -0.02 0.15 -3.12 0.00 0.00 179.24 176.38 3dwl h PHE 134 N 0.12 0.05 -0.94 4.55 3.57 -1.16 -2.76 116.94 120.36 3dwl h PHE 134 Ca 0.51 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 62.08 3dwl h PHE 134 Cb 1.82 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.49 3dwl h PHE 134 CO -0.00 0.57 0.60 0.82 -2.23 0.00 0.00 178.31 178.08 3dwl h ILE 135 N -0.49 1.02 -0.43 1.41 2.04 -0.83 0.28 117.51 120.52 3dwl h ILE 135 Ca 0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3dwl h ILE 135 Cb 0.57 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3dwl h ILE 135 CO 0.01 0.19 0.26 0.40 0.00 0.00 0.00 178.15 179.00 3dwl h ILE 136 N 1.02 1.14 0.00 -0.67 1.08 -1.58 -1.51 117.51 116.98 3dwl h ILE 136 Ca 0.42 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3dwl h ILE 136 Cb 0.29 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 3dwl h ILE 136 CO -0.18 0.14 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.19 3dwl h GLU 137 N 0.57 0.00 0.04 2.37 4.81 -0.44 -1.30 114.58 120.64 3dwl h GLU 137 Ca 0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3dwl h GLU 137 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3dwl h GLU 137 CO -0.03 0.16 -0.02 0.35 -0.73 0.00 0.00 179.01 178.74 3dwl h PHE 138 N 0.00 -0.05 -0.72 0.92 3.04 -0.18 -1.86 116.94 118.09 3dwl h PHE 138 Ca -0.00 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 3dwl h PHE 138 Cb 0.36 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 3dwl h PHE 138 CO 0.00 0.47 0.48 0.52 -2.02 0.00 0.00 178.31 177.76 3dwl h MET 139 N -0.62 0.57 -0.21 1.11 2.86 -0.81 -0.90 114.93 116.92 3dwl h MET 139 Ca -0.01 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 3dwl h MET 139 Cb 0.55 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3dwl h MET 139 CO 0.01 0.38 -0.23 0.93 1.06 0.00 0.00 176.91 179.05 3dwl h GLU 140 N 0.58 0.53 0.04 1.72 5.08 -1.26 -3.32 114.58 117.95 3dwl h GLU 140 Ca 0.33 -0.29 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 3dwl h GLU 140 Cb 0.52 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3dwl h GLU 140 CO -0.12 0.88 -1.00 0.93 -1.00 0.00 0.00 179.01 178.70 3dwl h GLU 141 N 0.21 0.20 0.15 2.33 5.08 -0.43 -2.50 114.58 119.62 3dwl h GLU 141 Ca 0.03 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3dwl h GLU 141 Cb 0.79 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3dwl h GLU 141 CO 0.06 1.04 -0.07 0.28 -1.00 0.00 0.00 179.01 179.32 3dwl h VAL 142 N 0.09 0.95 -0.91 3.13 2.07 -1.36 0.27 116.25 120.49 3dwl h VAL 142 Ca -0.06 -0.41 0.18 0.00 0.82 0.00 0.00 66.70 67.23 3dwl h VAL 142 Cb 1.67 1.21 -0.11 0.00 -1.52 0.00 0.00 31.29 32.54 3dwl h VAL 142 CO 0.15 0.10 0.49 0.44 0.02 0.00 0.00 177.57 178.77 3dwl h ASP 143 N -0.39 0.56 -0.45 0.57 3.45 -1.66 -0.21 116.42 118.30 3dwl h ASP 143 Ca -0.02 0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 3dwl h ASP 143 Cb 0.31 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 3dwl h ASP 143 CO 0.03 0.17 0.13 0.00 -1.57 0.00 0.00 179.24 178.01 3dwl h ALA 144 N 1.63 0.58 -0.20 3.45 0.00 -0.89 -2.05 119.26 121.78 3dwl h ALA 144 Ca 0.53 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3dwl h ALA 144 Cb 0.86 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3dwl h ALA 144 CO -0.42 0.24 -0.16 1.49 0.00 0.00 0.00 179.25 180.41 3dwl h GLU 145 N 0.58 0.47 -0.64 0.00 4.57 0.41 -1.50 114.58 118.48 3dwl h GLU 145 Ca 0.14 -0.23 0.09 0.00 -1.18 0.00 0.00 59.36 58.18 3dwl h GLU 145 Cb 0.28 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3dwl h GLU 145 CO -0.00 0.79 0.42 0.82 -1.18 0.00 0.00 179.01 179.86 3dwl h ILE 146 N 0.15 0.92 -0.16 2.32 5.03 -1.05 0.90 117.51 125.63 3dwl h ILE 146 Ca 0.04 -0.17 -0.04 0.00 -0.12 0.00 0.00 64.86 64.56 3dwl h ILE 146 Cb 0.68 0.38 -0.00 0.00 -3.03 0.00 0.00 36.82 34.85 3dwl h ILE 146 CO 0.04 0.09 -0.07 0.28 -0.68 0.00 0.00 178.15 177.82 3dwl h SER 147 N 0.50 0.33 -0.40 1.72 0.02 -1.17 -2.75 113.55 111.80 3dwl h SER 147 Ca 0.29 -0.40 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 3dwl h SER 147 Cb 0.48 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3dwl h SER 147 CO -0.09 0.66 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.65 3dwl h GLU 148 N -0.00 0.92 0.00 3.45 5.08 0.04 -1.35 114.58 122.71 3dwl h GLU 148 Ca 0.04 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 3dwl h GLU 148 Cb 0.53 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3dwl h GLU 148 CO 0.02 1.08 -0.19 0.52 -1.00 0.00 0.00 179.01 179.44 3dwl h MET 149 N 0.78 0.00 0.02 2.33 2.86 0.66 -3.05 114.93 118.54 3dwl h MET 149 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3dwl h MET 149 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 3dwl h MET 149 CO 0.07 0.19 -0.10 -0.22 1.06 0.00 0.00 176.91 177.91 3dwl h LYS 150 N 0.00 0.04 -1.19 1.72 3.64 -1.14 -2.97 116.57 116.66 3dwl h LYS 150 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3dwl h LYS 150 Cb 0.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3dwl h LYS 150 CO 0.02 1.00 0.00 1.28 -2.27 0.00 0.00 179.45 179.49 3dwl n LEU 151 N -4.56 1.90 0.00 5.20 4.77 -0.55 -1.96 117.00 121.81 3dwl n LEU 151 Ca -0.10 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 3dwl n LEU 151 Cb 0.51 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3dwl n LEU 151 CO 0.36 0.33 0.00 2.22 -1.33 0.00 0.00 177.39 178.96 3dwl n PHE 152 N 0.56 0.00 -0.09 -1.77 -0.00 -1.17 -4.34 117.46 110.66 3dwl n PHE 152 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.31 3dwl n PHE 152 Cb 0.33 0.01 -0.14 0.00 -0.00 0.00 0.00 39.48 39.67 3dwl n PHE 152 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 3dwl n LEU 153 N 0.00 1.55 0.10 5.98 -0.00 -0.83 -3.63 117.00 120.18 3dwl n LEU 153 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 56.01 56.02 3dwl n LEU 153 Cb 0.08 -0.27 0.23 0.00 -0.00 0.00 0.00 43.42 43.46 3dwl n LEU 153 CO 0.00 0.69 0.65 0.78 -0.00 0.00 0.00 177.39 179.51 3dwl h ASN 154 N 0.01 0.22 -0.06 1.45 2.35 -1.69 -1.59 115.58 116.28 3dwl h ASN 154 Ca -0.51 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.14 3dwl h ASN 154 Cb 2.06 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 40.37 3dwl h ASN 154 CO 0.00 0.62 0.01 1.23 -1.65 0.00 0.00 177.43 177.63 3dwl h GLY 155 N 1.23 0.10 0.88 2.83 0.00 -1.76 -3.01 103.07 103.34 3dwl h GLY 155 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3dwl h GLY 155 CO 0.06 0.06 -0.10 -0.09 0.00 0.00 0.00 176.54 176.48 3dwl h ARG 156 N -0.16 0.57 -0.56 4.80 2.43 -1.61 -2.77 114.38 117.07 3dwl h ARG 156 Ca 0.02 -0.23 0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3dwl h ARG 156 Cb 0.29 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 3dwl h ARG 156 CO 0.00 0.78 -0.07 0.00 -1.51 0.00 0.00 179.97 179.18 3dwl h ALA 157 N 0.77 0.47 0.30 2.80 0.00 -1.32 0.47 119.26 122.74 3dwl h ALA 157 Ca 0.07 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dwl h ALA 157 Cb 0.59 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3dwl h ALA 157 CO 0.03 -0.41 -0.21 0.07 0.00 0.00 0.00 179.25 178.72 3dwl h ARG 158 N 0.06 -0.49 -0.30 0.00 -0.00 -1.52 0.26 114.38 112.39 3dwl h ARG 158 Ca 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.30 3dwl h ARG 158 Cb 0.44 0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 30.51 3dwl h ARG 158 CO -0.53 -0.33 0.19 1.25 -0.00 0.00 0.00 179.97 180.56 3dwl h LEU 159 N -0.51 0.34 0.12 0.08 7.12 -0.93 0.88 115.31 122.41 3dwl h LEU 159 Ca -0.02 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.97 3dwl h LEU 159 Cb 0.44 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 3dwl h LEU 159 CO 0.01 0.25 -0.06 0.58 -0.13 0.00 0.00 178.44 179.09 3dwl h VAL 160 N 0.40 0.26 -0.43 1.05 2.07 0.06 -2.90 116.25 116.77 3dwl h VAL 160 Ca 0.11 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3dwl h VAL 160 Cb -0.04 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3dwl h VAL 160 CO -0.02 0.08 0.29 0.00 0.02 0.00 0.00 177.57 177.93 3dwl h ALA 161 N -0.87 1.97 -0.13 1.67 0.00 -0.83 -0.88 119.26 120.18 3dwl h ALA 161 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3dwl h ALA 161 Cb 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dwl h ALA 161 CO 0.03 -0.05 -0.77 1.49 0.00 0.00 0.00 179.25 179.95 3dwl h GLU 162 N 0.34 0.67 0.32 0.00 4.81 -0.95 -2.87 114.58 116.89 3dwl h GLU 162 Ca 0.19 -0.55 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 3dwl h GLU 162 Cb 0.31 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3dwl h GLU 162 CO -0.04 1.17 -0.16 1.15 -0.73 0.00 0.00 179.01 180.40 3dwl h THR 163 N 0.46 0.67 -0.94 0.32 2.02 -1.00 -2.53 112.91 111.90 3dwl h THR 163 Ca -0.05 -0.55 0.06 0.00 0.77 0.00 0.00 66.41 66.64 3dwl h THR 163 Cb 1.38 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 3dwl h THR 163 CO 0.15 0.10 0.61 0.22 0.37 0.00 0.00 175.52 176.97 3dwl h TYR 164 N -0.76 1.10 -0.26 3.16 3.20 -1.32 -2.19 116.97 119.91 3dwl h TYR 164 Ca -0.04 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3dwl h TYR 164 Cb 0.50 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3dwl h TYR 164 CO 0.02 0.58 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.66 3dwl h LEU 165 N 1.08 0.63 -1.48 2.82 4.07 -1.52 -3.22 115.31 117.70 3dwl h LEU 165 Ca 0.40 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 58.03 3dwl h LEU 165 Cb 0.17 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3dwl h LEU 165 CO -0.15 0.95 -0.26 0.77 -1.08 0.00 0.00 178.44 178.66 3dwl h SER 166 N 0.49 0.00 0.19 -0.43 4.64 -0.94 -2.85 113.55 114.65 3dwl h SER 166 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3dwl h SER 166 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3dwl h SER 166 CO 0.08 0.26 -0.12 0.00 -0.87 0.00 0.00 176.83 176.18