#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4p s TYR 2 N 0.00 3.70 0.80 3.17 1.51 -1.26 -5.06 117.35 120.21 1v4p s TYR 2 Ca 0.00 1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 57.03 1v4p s TYR 2 Cb 0.00 -2.46 0.08 0.00 -0.11 0.00 0.00 41.96 39.47 1v4p s TYR 2 CO 0.00 0.47 1.14 -1.54 -1.11 0.00 0.00 175.55 174.52 1v4p s SER 3 N -0.56 3.90 0.49 2.29 1.04 -1.26 -4.81 113.70 114.78 1v4p s SER 3 Ca 0.27 2.11 0.16 0.00 0.48 0.00 0.00 55.95 58.97 1v4p s SER 3 Cb -0.17 -2.56 1.16 0.00 0.10 0.00 0.00 66.02 64.54 1v4p s SER 3 CO 0.15 -2.45 2.07 -0.29 0.98 0.00 0.00 173.24 173.70 1v4p h ILE 4 N -1.09 1.04 -0.16 -1.02 6.09 -1.97 -1.86 117.51 118.54 1v4p h ILE 4 Ca -0.45 -0.33 -0.05 0.00 -1.37 0.00 0.00 64.86 62.66 1v4p h ILE 4 Cb 1.26 1.18 -0.00 0.00 0.47 0.00 0.00 36.82 39.73 1v4p h ILE 4 CO 0.48 0.09 -0.11 -0.33 -3.07 0.00 0.00 178.15 175.21 1v4p h GLU 5 N 0.00 0.35 -0.89 2.19 3.07 -1.91 0.05 114.58 117.44 1v4p h GLU 5 Ca -0.00 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1v4p h GLU 5 Cb 0.17 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 1v4p h GLU 5 CO 0.01 0.70 0.47 0.28 -1.40 0.00 0.00 179.01 179.07 1v4p h VAL 6 N 0.00 1.26 -0.36 3.13 2.07 -1.79 0.15 116.25 120.72 1v4p h VAL 6 Ca 0.03 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1v4p h VAL 6 Cb 0.62 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1v4p h VAL 6 CO 0.03 0.30 -0.01 0.03 0.02 0.00 0.00 177.57 177.94 1v4p h ARG 7 N 1.25 0.64 -0.51 1.57 3.08 -1.28 -1.17 114.38 117.96 1v4p h ARG 7 Ca 0.31 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1v4p h ARG 7 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1v4p h ARG 7 CO -0.05 0.76 -0.05 1.15 -1.07 0.00 0.00 179.97 180.71 1v4p h THR 8 N 0.45 1.26 -0.51 2.04 2.02 -0.57 -1.24 112.91 116.37 1v4p h THR 8 Ca 0.10 -1.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.05 1v4p h THR 8 Cb 0.47 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 1v4p h THR 8 CO 0.02 0.40 -0.03 -0.74 0.37 0.00 0.00 175.52 175.54 1v4p h HIS 9 N 0.81 1.01 -0.62 3.16 -0.00 -0.61 -2.42 115.15 116.48 1v4p h HIS 9 Ca 0.14 -0.19 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1v4p h HIS 9 Cb 0.56 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1v4p h HIS 9 CO 0.03 0.95 0.38 0.77 -0.00 0.00 0.00 177.93 180.06 1v4p h SER 10 N 0.78 0.73 -0.15 3.26 0.02 -0.93 -1.30 113.55 115.96 1v4p h SER 10 Ca 0.14 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1v4p h SER 10 Cb 0.57 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1v4p h SER 10 CO 0.03 0.56 0.10 0.00 -1.14 0.00 0.00 176.83 176.38 1v4p h ALA 11 N 1.57 2.02 -0.97 3.77 0.00 -0.73 -1.75 119.26 123.16 1v4p h ALA 11 Ca 0.22 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1v4p h ALA 11 Cb -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1v4p h ALA 11 CO -0.04 -0.04 0.63 -0.07 0.00 0.00 0.00 179.25 179.73 1v4p h LEU 12 N 0.10 1.04 -0.58 0.00 3.38 -1.02 0.26 115.31 118.48 1v4p h LEU 12 Ca 0.06 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1v4p h LEU 12 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1v4p h LEU 12 CO -0.01 0.70 -0.26 0.45 0.09 0.00 0.00 178.44 179.41 1v4p h HIS 13 N 1.19 0.99 -0.29 1.13 3.86 -1.40 -0.04 115.15 120.60 1v4p h HIS 13 Ca 0.39 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1v4p h HIS 13 Cb 0.06 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1v4p h HIS 13 CO -0.00 1.02 -0.15 0.28 0.86 0.00 0.00 177.93 179.94 1v4p h VAL 14 N 0.74 1.30 -0.63 2.45 2.07 -1.24 -2.25 116.25 118.68 1v4p h VAL 14 Ca 0.09 -1.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 1v4p h VAL 14 Cb 0.81 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1v4p h VAL 14 CO 0.07 0.40 0.05 0.58 0.02 0.00 0.00 177.57 178.69 1v4p h VAL 15 N 0.35 1.26 -0.66 2.57 2.07 -0.44 -2.27 116.25 119.14 1v4p h VAL 15 Ca 0.06 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1v4p h VAL 15 Cb 0.67 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1v4p h VAL 15 CO 0.04 0.40 0.43 0.50 0.02 0.00 0.00 177.57 178.96 1v4p h LYS 16 N 1.00 0.84 -0.73 1.57 1.63 -0.93 0.47 116.57 120.42 1v4p h LYS 16 Ca 0.19 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1v4p h LYS 16 Cb 0.50 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1v4p h LYS 16 CO 0.02 0.56 0.48 0.78 -3.45 0.00 0.00 179.45 177.84 1v4p h GLY 17 N 0.87 1.03 1.06 5.01 0.00 -1.13 -1.59 103.07 108.31 1v4p h GLY 17 Ca 0.25 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1v4p h GLY 17 CO -0.07 0.38 0.17 0.00 0.00 0.00 0.00 176.54 177.02 1v4p h ALA 18 N 1.27 0.92 -0.40 3.60 0.00 -0.83 -1.37 119.26 122.46 1v4p h ALA 18 Ca 0.27 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1v4p h ALA 18 Cb -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 1v4p h ALA 18 CO -0.06 0.65 0.23 0.28 0.00 0.00 0.00 179.25 180.35 1v4p h VAL 19 N 1.06 1.04 -0.56 0.00 2.07 -0.44 -1.18 116.25 118.25 1v4p h VAL 19 Ca 0.22 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1v4p h VAL 19 Cb 0.38 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1v4p h VAL 19 CO 0.00 0.09 -0.01 0.58 0.02 0.00 0.00 177.57 178.25 1v4p h VAL 20 N 0.47 1.26 -0.91 2.57 2.07 -1.07 0.16 116.25 120.81 1v4p h VAL 20 Ca 0.16 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1v4p h VAL 20 Cb 0.01 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1v4p h VAL 20 CO -0.08 0.40 0.55 0.11 0.02 0.00 0.00 177.57 178.58 1v4p h LYS 21 N 0.89 1.23 0.02 1.57 1.79 -0.79 0.82 116.57 122.10 1v4p h LYS 21 Ca 0.16 -0.11 -0.15 0.00 -2.18 0.00 0.00 60.65 58.38 1v4p h LYS 21 Cb 0.54 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1v4p h LYS 21 CO 0.03 0.85 -0.78 0.28 -1.08 0.00 0.00 179.45 178.75 1v4p h VAL 22 N 1.25 1.29 0.00 0.50 2.07 -1.04 -3.39 116.25 116.93 1v4p h VAL 22 Ca 0.33 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1v4p h VAL 22 Cb -0.06 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1v4p h VAL 22 CO -0.06 0.50 -0.55 -0.07 0.02 0.00 0.00 177.57 177.41 1v4p h LEU 23 N -0.87 0.00 0.00 2.57 3.38 -0.75 -3.51 115.31 116.13 1v4p h LEU 23 Ca -0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1v4p h LEU 23 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1v4p h LEU 23 CO -0.07 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1v4p n GLY 24 N 1.32 -3.15 0.33 0.83 0.00 0.28 -4.43 105.19 100.36 1v4p n GLY 24 Ca 0.03 -1.80 0.20 0.00 0.00 0.00 0.00 46.02 44.45 1v4p n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1v4p h SER 25 N 0.00 0.00 0.45 1.61 4.64 -1.95 -1.71 113.55 116.59 1v4p h SER 25 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1v4p h SER 25 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1v4p h SER 25 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1v4p n GLU 26 N -2.97 0.14 -0.25 4.77 1.02 -1.26 -2.11 120.64 119.97 1v4p n GLU 26 Ca -0.03 0.47 0.07 0.00 -0.02 0.00 0.00 57.16 57.65 1v4p n GLU 26 Cb 0.15 -1.83 0.18 0.00 -0.02 0.00 0.00 31.44 29.92 1v4p n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1v4p n ALA 27 N -1.73 2.54 0.36 0.62 0.00 -0.64 -4.48 120.51 117.17 1v4p n ALA 27 Ca 0.01 -1.95 0.14 0.00 0.00 0.00 0.00 53.44 51.65 1v4p n ALA 27 Cb 0.15 -0.50 0.55 0.00 0.00 0.00 0.00 19.45 19.65 1v4p n ALA 27 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1v4p h LYS 28 N 1.28 0.00 -4.77 0.00 2.10 -1.56 -3.44 116.57 110.18 1v4p h LYS 28 Ca 0.00 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.98 1v4p h LYS 28 Cb 1.08 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.22 1v4p h LYS 28 CO 0.10 0.00 -0.50 -1.58 -2.00 0.00 0.00 179.45 175.47 1v4p s TRP 29 N -3.44 3.22 -0.05 0.07 0.52 -1.26 -4.94 118.94 113.06 1v4p s TRP 29 Ca 0.04 -0.13 -0.30 0.00 0.02 0.00 0.00 56.10 55.73 1v4p s TRP 29 Cb 0.09 -2.44 -0.02 0.00 -1.15 0.00 0.00 33.47 29.95 1v4p s TRP 29 CO 0.49 -0.31 0.98 0.99 0.02 0.00 0.00 176.95 179.13 1v4p s THR 30 N 1.73 4.83 -0.12 2.01 2.01 -1.26 -1.28 115.64 123.57 1v4p s THR 30 Ca 0.06 2.03 -0.25 0.00 0.31 0.00 0.00 61.69 63.85 1v4p s THR 30 Cb -0.17 -4.31 -0.27 0.00 0.01 0.00 0.00 72.50 67.76 1v4p s THR 30 CO 0.10 0.09 0.72 0.22 -0.69 0.00 0.00 174.62 175.06 1v4p h TYR 31 N 6.94 0.19 -2.34 4.92 3.20 -0.39 0.19 116.97 129.69 1v4p h TYR 31 Ca -0.36 -0.14 0.16 0.00 3.14 0.00 0.00 58.73 61.52 1v4p h TYR 31 Cb 1.18 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 39.35 1v4p h TYR 31 CO 0.69 1.19 0.48 -1.54 -1.64 0.00 0.00 178.16 177.35 1v4p s SER 32 N -6.57 -0.23 0.04 -2.11 1.04 -1.02 -4.83 113.70 100.01 1v4p s SER 32 Ca -0.19 -0.30 -0.13 0.00 0.48 0.00 0.00 55.95 55.81 1v4p s SER 32 Cb -0.00 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1v4p s SER 32 CO 0.73 -0.84 0.29 0.42 0.98 0.00 0.00 173.24 174.82 1v4p s THR 33 N -3.26 0.09 -0.02 2.02 -4.23 -1.26 -1.00 115.64 107.98 1v4p s THR 33 Ca 0.10 -0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.61 1v4p s THR 33 Cb -0.01 -0.94 0.08 0.00 1.34 0.00 0.00 72.50 72.96 1v4p s THR 33 CO -0.01 -0.39 0.71 -0.72 -0.54 0.00 0.00 174.62 173.67 1v4p s TYR 34 N -2.58 -0.59 -0.01 3.99 -0.85 -0.93 -5.01 117.35 111.38 1v4p s TYR 34 Ca -0.05 0.87 0.04 0.00 -0.52 0.00 0.00 57.07 57.41 1v4p s TYR 34 Cb -0.01 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.77 1v4p s TYR 34 CO -0.04 -0.62 -0.14 0.08 -1.52 0.00 0.00 175.55 173.31 1v4p s VAL 35 N -1.78 1.09 -0.24 -3.49 1.01 -1.26 -1.48 120.40 114.26 1v4p s VAL 35 Ca -0.07 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1v4p s VAL 35 Cb -0.00 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.56 1v4p s VAL 35 CO 0.04 0.29 0.19 -0.75 0.00 0.00 0.00 175.10 174.87 1v4p s LYS 36 N -0.38 0.20 7.44 2.72 2.20 -0.49 -5.02 119.74 126.42 1v4p s LYS 36 Ca 0.05 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1v4p s LYS 36 Cb -0.05 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.09 1v4p s LYS 36 CO -0.00 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 1v4p n GLY 37 N 5.29 2.66 1.77 5.54 0.00 -1.26 -1.79 105.19 117.40 1v4p n GLY 37 Ca -0.05 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1v4p n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1v4p n ASN 38 N 6.84 5.44 -4.50 1.61 6.94 -1.26 -4.02 115.26 126.31 1v4p n ASN 38 Ca 0.00 -2.84 -0.34 0.00 -0.02 0.00 0.00 54.58 51.38 1v4p n ASN 38 Cb 0.00 -0.66 -0.12 0.00 -2.36 0.00 0.00 39.78 36.64 1v4p n ASN 38 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1v4p s LYS 39 N -2.59 3.67 0.07 -3.83 -0.14 -0.74 -0.98 119.74 115.20 1v4p s LYS 39 Ca 0.53 -0.52 0.08 0.00 -1.36 0.00 0.00 55.97 54.70 1v4p s LYS 39 Cb 0.40 -2.93 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 1v4p s LYS 39 CO 0.17 0.22 -0.21 0.20 -0.76 0.00 0.00 175.35 174.97 1v4p s GLY 40 N 0.42 1.19 -0.06 -3.33 0.00 -0.45 -1.39 107.32 103.69 1v4p s GLY 40 Ca -0.03 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1v4p s GLY 40 CO 0.03 -1.11 -0.05 0.14 0.00 0.00 0.00 173.10 172.11 1v4p s VAL 41 N -0.96 0.65 -0.16 1.40 1.01 -0.55 -1.22 120.40 120.58 1v4p s VAL 41 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1v4p s VAL 41 Cb -0.09 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 1v4p s VAL 41 CO 0.03 0.27 -0.12 -0.22 0.00 0.00 0.00 175.10 175.06 1v4p s LEU 42 N 1.19 2.67 -0.17 3.92 2.96 -0.54 -2.20 118.68 126.51 1v4p s LEU 42 Ca -0.06 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 1v4p s LEU 42 Cb -0.14 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1v4p s LEU 42 CO -0.02 0.10 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.28 1v4p s ILE 43 N 0.74 2.03 0.23 6.68 1.01 -0.17 -0.27 121.20 131.45 1v4p s ILE 43 Ca -0.05 -0.93 0.11 0.00 0.00 0.00 0.00 60.65 59.78 1v4p s ILE 43 Cb -0.15 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1v4p s ILE 43 CO 0.01 0.54 -0.21 0.68 0.00 0.00 0.00 174.94 175.96 1v4p s VAL 44 N 1.21 2.29 0.03 2.92 -7.23 -0.40 0.38 120.40 119.61 1v4p s VAL 44 Ca 0.03 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 57.69 1v4p s VAL 44 Cb -0.13 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.59 1v4p s VAL 44 CO -0.11 -0.31 1.14 -0.54 -0.31 0.00 0.00 175.10 174.97 1v4p s LYS 45 N -3.16 4.46 0.27 4.82 -0.14 -0.40 -0.34 119.74 125.24 1v4p s LYS 45 Ca 0.25 1.67 -0.20 0.00 -1.36 0.00 0.00 55.97 56.33 1v4p s LYS 45 Cb -0.06 -3.40 0.02 0.00 -1.68 0.00 0.00 37.83 32.71 1v4p s LYS 45 CO 0.12 -0.23 0.67 0.12 -0.76 0.00 0.00 175.35 175.27 1v4p s PHE 46 N 1.18 -0.12 -0.21 3.18 5.36 -0.68 -4.31 117.98 122.38 1v4p s PHE 46 Ca 0.57 -0.31 0.05 0.00 -0.96 0.00 0.00 56.93 56.27 1v4p s PHE 46 Cb -0.27 0.61 0.11 0.00 -0.34 0.00 0.00 43.02 43.13 1v4p s PHE 46 CO 0.28 -1.17 1.08 -0.40 -1.46 0.00 0.00 175.22 173.55 1v4p n ASP 47 N -0.44 2.29 -3.56 6.13 5.75 -1.26 -3.90 116.55 121.55 1v4p n ASP 47 Ca -0.04 -2.13 -0.08 0.00 -0.01 0.00 0.00 54.79 52.53 1v4p n ASP 47 Cb 0.60 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 1v4p n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v4p s ARG 48 N -1.23 0.97 -0.23 0.11 1.70 -1.26 -5.07 118.95 113.95 1v4p s ARG 48 Ca 0.09 -0.42 -0.21 0.00 -0.47 0.00 0.00 55.73 54.73 1v4p s ARG 48 Cb 0.06 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 1v4p s ARG 48 CO 0.04 -0.43 0.64 0.21 -1.08 0.00 0.00 175.30 174.67 1v4p s LYS 49 N -3.24 4.16 0.79 3.89 2.20 -1.26 -4.96 119.74 121.33 1v4p s LYS 49 Ca 0.06 0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 56.14 1v4p s LYS 49 Cb -0.01 -3.61 0.07 0.00 -1.51 0.00 0.00 37.83 32.77 1v4p s LYS 49 CO -0.06 -0.33 1.20 -2.14 -0.36 0.00 0.00 175.35 173.66 1v4p s PRO 50 N 2.22 1.73 0.80 4.03 0.02 -1.26 -4.99 135.00 137.56 1v4p s PRO 50 Ca 0.28 1.75 -0.11 0.00 0.02 0.00 0.00 61.00 62.93 1v4p s PRO 50 Cb -0.16 -1.79 0.07 0.00 0.02 0.00 0.00 34.50 32.65 1v4p s PRO 50 CO 0.09 -2.14 1.09 -1.54 -0.33 0.00 0.00 177.00 174.17 1v4p s SER 51 N -2.16 4.37 0.41 2.53 1.04 -1.26 -4.81 113.70 113.83 1v4p s SER 51 Ca 0.73 1.48 0.08 0.00 0.48 0.00 0.00 55.95 58.72 1v4p s SER 51 Cb -0.29 -2.21 0.88 0.00 0.10 0.00 0.00 66.02 64.50 1v4p s SER 51 CO 0.50 -2.07 2.05 0.44 0.98 0.00 0.00 173.24 175.14 1v4p h ASP 52 N -1.15 0.41 -0.01 7.02 3.32 -1.99 -0.69 116.42 123.32 1v4p h ASP 52 Ca -0.47 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1v4p h ASP 52 Cb 1.26 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1v4p h ASP 52 CO 0.57 0.32 0.01 -0.33 -1.72 0.00 0.00 179.24 178.09 1v4p h GLU 53 N 0.47 0.02 -0.94 3.56 3.07 -1.99 0.06 114.58 118.83 1v4p h GLU 53 Ca 0.12 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1v4p h GLU 53 Cb -0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 1v4p h GLU 53 CO -0.02 0.09 0.61 0.93 -1.40 0.00 0.00 179.01 179.22 1v4p h GLU 54 N -0.05 1.24 -0.63 2.33 5.08 -1.71 -0.06 114.58 120.78 1v4p h GLU 54 Ca 0.00 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1v4p h GLU 54 Cb 0.07 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1v4p h GLU 54 CO -0.00 0.83 0.25 0.82 -1.00 0.00 0.00 179.01 179.91 1v4p h ILE 55 N 1.27 1.23 -0.52 3.13 2.04 -0.79 -0.41 117.51 123.46 1v4p h ILE 55 Ca 0.34 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 1v4p h ILE 55 Cb -0.14 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1v4p h ILE 55 CO -0.07 0.29 0.01 0.03 0.00 0.00 0.00 178.15 178.41 1v4p h ARG 56 N 0.88 0.88 -0.31 2.37 2.47 -0.40 -1.76 114.38 118.52 1v4p h ARG 56 Ca 0.21 -0.24 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1v4p h ARG 56 Cb 0.20 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1v4p h ARG 56 CO -0.02 0.87 -0.26 1.49 0.56 0.00 0.00 179.97 182.61 1v4p h GLU 57 N 0.82 0.61 -0.38 0.04 4.57 -0.62 0.15 114.58 119.77 1v4p h GLU 57 Ca 0.16 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1v4p h GLU 57 Cb 0.47 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1v4p h GLU 57 CO 0.02 0.82 0.09 0.82 -1.18 0.00 0.00 179.01 179.58 1v4p h ILE 58 N 0.53 1.23 -0.47 2.32 2.04 -0.75 -0.34 117.51 122.07 1v4p h ILE 58 Ca 0.07 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1v4p h ILE 58 Cb 0.73 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1v4p h ILE 58 CO 0.06 0.27 0.23 -0.08 0.00 0.00 0.00 178.15 178.63 1v4p h GLU 59 N 0.47 0.67 0.11 2.37 4.81 -1.00 -0.89 114.58 121.12 1v4p h GLU 59 Ca 0.12 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1v4p h GLU 59 Cb 0.31 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1v4p h GLU 59 CO 0.00 0.55 -0.07 -0.09 -0.73 0.00 0.00 179.01 178.68 1v4p h ARG 60 N 0.61 -0.17 -0.61 1.92 2.43 -0.48 -1.33 114.38 116.77 1v4p h ARG 60 Ca 0.16 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1v4p h ARG 60 Cb 0.10 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1v4p h ARG 60 CO -0.02 -0.11 0.34 -0.07 -1.51 0.00 0.00 179.97 178.60 1v4p h LEU 61 N -0.17 0.74 -0.24 3.80 3.38 -0.92 0.19 115.31 122.08 1v4p h LEU 61 Ca -0.01 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1v4p h LEU 61 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1v4p h LEU 61 CO 0.01 0.59 0.06 0.00 0.09 0.00 0.00 178.44 179.19 1v4p h ALA 62 N 1.53 0.32 -0.29 1.53 0.00 -0.82 -0.95 119.26 120.58 1v4p h ALA 62 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1v4p h ALA 62 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1v4p h ALA 62 CO -0.04 -0.03 -0.19 -0.91 0.00 0.00 0.00 179.25 178.08 1v4p h ASN 63 N 0.21 0.51 -0.37 0.00 2.35 -0.85 -1.79 115.58 115.64 1v4p h ASN 63 Ca 0.08 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1v4p h ASN 63 Cb 0.28 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1v4p h ASN 63 CO 0.00 0.71 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.39 1v4p h GLU 64 N 0.47 0.76 -0.19 0.81 4.81 -0.74 0.98 114.58 121.49 1v4p h GLU 64 Ca 0.08 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1v4p h GLU 64 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1v4p h GLU 64 CO 0.04 0.79 -0.44 -0.22 -0.73 0.00 0.00 179.01 178.45 1v4p h LYS 65 N 0.71 0.47 -0.48 1.92 1.63 -0.72 -0.94 116.57 119.16 1v4p h LYS 65 Ca 0.14 -0.25 -0.11 0.00 -0.85 0.00 0.00 60.65 59.57 1v4p h LYS 65 Cb 0.47 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1v4p h LYS 65 CO 0.02 0.82 -0.15 0.28 -3.45 0.00 0.00 179.45 176.98 1v4p h VAL 66 N 0.38 1.27 -0.52 2.00 2.07 -0.77 -2.86 116.25 117.82 1v4p h VAL 66 Ca 0.03 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 1v4p h VAL 66 Cb 0.93 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1v4p h VAL 66 CO 0.08 0.45 0.16 0.50 0.02 0.00 0.00 177.57 178.78 1v4p h LYS 67 N 0.80 0.77 0.00 1.57 1.63 -0.51 -1.13 116.57 119.69 1v4p h LYS 67 Ca 0.12 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1v4p h LYS 67 Cb 0.71 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1v4p h LYS 67 CO 0.05 0.67 0.00 1.49 -3.45 0.00 0.00 179.45 178.21 1v4p h GLU 68 N 0.75 0.00 -6.34 1.90 4.81 -0.95 -3.47 114.58 111.29 1v4p h GLU 68 Ca 0.17 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.94 1v4p h GLU 68 Cb 0.22 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.63 1v4p h GLU 68 CO -0.01 0.00 -0.91 -1.71 -0.73 0.00 0.00 179.01 175.65 1v4p n ASN 69 N -2.88 -3.12 -4.84 1.04 5.15 -0.43 -4.95 115.26 105.23 1v4p n ASN 69 Ca -0.01 -1.01 -0.32 0.00 -0.60 0.00 0.00 54.58 52.64 1v4p n ASN 69 Cb 0.17 -3.26 -0.05 0.00 -0.53 0.00 0.00 39.78 36.12 1v4p n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1v4p s ALA 70 N -3.66 3.11 0.41 5.20 0.00 -1.26 -4.63 121.76 120.93 1v4p s ALA 70 Ca 0.27 0.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 1v4p s ALA 70 Cb -0.10 -3.05 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 1v4p s ALA 70 CO 0.87 -0.05 1.11 -1.25 0.00 0.00 0.00 175.76 176.44 1v4p s PRO 71 N -3.68 4.06 -0.55 0.00 0.04 -1.26 -0.63 135.00 132.98 1v4p s PRO 71 Ca 0.59 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 63.20 1v4p s PRO 71 Cb -0.10 -2.57 0.14 0.00 0.04 0.00 0.00 34.50 32.02 1v4p s PRO 71 CO 0.24 -0.27 0.43 0.42 0.04 0.00 0.00 177.00 177.86 1v4p s ILE 72 N -1.55 4.34 0.30 0.56 1.01 -0.37 -4.58 121.20 120.91 1v4p s ILE 72 Ca 0.58 -2.09 -0.28 0.00 0.00 0.00 0.00 60.65 58.86 1v4p s ILE 72 Cb -0.26 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1v4p s ILE 72 CO 0.32 -0.83 1.05 -0.54 0.00 0.00 0.00 174.94 174.94 1v4p s LYS 73 N 0.94 4.57 -0.16 2.79 1.02 -0.04 -4.85 119.74 124.00 1v4p s LYS 73 Ca 0.09 1.65 0.01 0.00 0.02 0.00 0.00 55.97 57.75 1v4p s LYS 73 Cb -0.23 -3.03 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 1v4p s LYS 73 CO -0.02 0.19 -0.18 0.42 -0.92 0.00 0.00 175.35 174.83 1v4p s ILE 74 N -1.31 1.89 -0.18 2.17 -1.09 -1.26 0.24 121.20 121.67 1v4p s ILE 74 Ca 0.47 -0.84 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1v4p s ILE 74 Cb -0.28 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.86 1v4p s ILE 74 CO 0.35 0.51 -0.06 -0.31 -1.23 0.00 0.00 174.94 174.21 1v4p s TYR 75 N 1.26 2.95 -0.38 3.97 1.51 0.15 -4.91 117.35 121.90 1v4p s TYR 75 Ca 0.03 -0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 55.39 1v4p s TYR 75 Cb -0.13 -2.01 0.09 0.00 -0.11 0.00 0.00 41.96 39.80 1v4p s TYR 75 CO -0.10 -0.31 0.17 -2.00 -1.11 0.00 0.00 175.55 172.20 1v4p s GLU 76 N 0.89 2.23 0.12 -0.62 2.12 -1.26 0.17 118.70 122.35 1v4p s GLU 76 Ca -0.01 -1.61 0.05 0.00 0.36 0.00 0.00 54.97 53.75 1v4p s GLU 76 Cb -0.15 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1v4p s GLU 76 CO 0.01 -0.94 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.17 1v4p s LEU 77 N 1.23 2.44 0.41 2.70 1.43 0.51 -4.97 118.68 122.44 1v4p s LEU 77 Ca 0.04 -0.87 -0.26 0.00 -1.03 0.00 0.00 54.13 52.01 1v4p s LEU 77 Cb -0.22 -0.39 -0.08 0.00 0.03 0.00 0.00 46.19 45.53 1v4p s LEU 77 CO -0.02 -0.25 1.30 -2.84 0.23 0.00 0.00 176.35 174.76 1v4p s PRO 78 N -3.05 3.92 0.25 1.29 0.02 -1.26 -0.26 135.00 135.91 1v4p s PRO 78 Ca 0.10 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.19 1v4p s PRO 78 Cb -0.02 -2.72 0.46 0.00 0.02 0.00 0.00 34.50 32.25 1v4p s PRO 78 CO 0.01 -0.52 1.63 -0.09 -0.33 0.00 0.00 177.00 177.70 1v4p h ARG 79 N 2.59 0.10 -0.86 5.54 2.43 -1.05 -0.75 114.38 122.39 1v4p h ARG 79 Ca -0.50 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.71 1v4p h ARG 79 Cb 1.25 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.72 1v4p h ARG 79 CO 0.62 0.07 0.55 0.93 -1.51 0.00 0.00 179.97 180.62 1v4p h GLU 80 N 0.10 1.01 -0.31 0.20 3.07 -1.89 -1.36 114.58 115.40 1v4p h GLU 80 Ca 0.43 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 59.07 1v4p h GLU 80 Cb 0.77 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1v4p h GLU 80 CO -0.68 0.67 -0.45 0.93 -1.40 0.00 0.00 179.01 178.08 1v4p h GLU 81 N 1.04 0.79 -0.81 2.33 5.08 -1.54 -2.55 114.58 118.92 1v4p h GLU 81 Ca 0.35 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1v4p h GLU 81 Cb 0.07 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1v4p h GLU 81 CO -0.14 1.08 0.45 0.00 -1.00 0.00 0.00 179.01 179.40 1v4p h ALA 82 N 0.85 1.04 -0.53 3.43 0.00 -0.78 -0.76 119.26 122.51 1v4p h ALA 82 Ca 0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1v4p h ALA 82 Cb 1.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1v4p h ALA 82 CO 0.10 0.55 0.03 0.93 0.00 0.00 0.00 179.25 180.86 1v4p h GLU 83 N 1.13 0.92 -0.31 0.00 5.08 -1.17 0.13 114.58 120.36 1v4p h GLU 83 Ca 0.29 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1v4p h GLU 83 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1v4p h GLU 83 CO -0.05 0.93 -0.18 0.87 -1.00 0.00 0.00 179.01 179.58 1v4p h LYS 84 N 0.80 0.56 0.09 2.33 1.57 -1.15 0.11 116.57 120.89 1v4p h LYS 84 Ca 0.15 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1v4p h LYS 84 Cb 0.49 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.77 1v4p h LYS 84 CO 0.02 0.72 -0.61 1.98 -0.57 0.00 0.00 179.45 180.99 1v4p h MET 85 N 0.51 0.25 0.00 3.15 4.05 -0.89 -3.41 114.93 118.59 1v4p h MET 85 Ca 0.08 -0.40 -0.11 0.00 -0.28 0.00 0.00 59.70 59.00 1v4p h MET 85 Cb 0.60 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1v4p h MET 85 CO 0.04 1.17 -1.75 1.19 0.23 0.00 0.00 176.91 177.79 1v4p n PHE 86 N -4.24 0.00 -4.29 1.39 3.72 0.44 -5.09 117.46 109.39 1v4p n PHE 86 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1v4p n PHE 86 Cb 0.73 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1v4p n PHE 86 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1v4p n GLY 87 N 1.94 -1.62 0.32 1.37 0.00 0.37 -4.09 105.19 103.49 1v4p n GLY 87 Ca -0.11 -1.28 0.15 0.00 0.00 0.00 0.00 46.02 44.77 1v4p n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1v4p h GLU 88 N 0.00 0.00 -0.05 1.61 4.11 -1.95 -2.96 114.58 115.35 1v4p h GLU 88 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1v4p h GLU 88 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1v4p h GLU 88 CO 0.00 0.00 0.10 -0.44 0.07 0.00 0.00 179.01 178.74 1v4p h ASP 89 N 0.00 0.00 1.07 3.06 5.19 -1.93 -1.06 116.42 122.74 1v4p h ASP 89 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1v4p h ASP 89 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1v4p h ASP 89 CO -0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1v4p h MET 90 N 0.00 0.00 -7.01 3.56 -0.00 -1.67 -3.43 114.93 106.38 1v4p h MET 90 Ca 0.02 0.00 -0.48 0.00 -0.00 0.00 0.00 59.70 59.24 1v4p h MET 90 Cb 0.22 0.00 0.04 0.00 -0.00 0.00 0.00 31.60 31.86 1v4p h MET 90 CO -0.00 0.00 0.13 0.71 -0.00 0.00 0.00 176.91 177.75 1v4p s TYR 91 N -3.34 3.38 0.43 -0.10 2.02 -0.40 -0.29 117.35 119.05 1v4p s TYR 91 Ca 0.05 0.68 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 1v4p s TYR 91 Cb 0.09 -2.52 0.08 0.00 -0.40 0.00 0.00 41.96 39.21 1v4p s TYR 91 CO 0.49 -0.56 0.60 -0.25 -1.57 0.00 0.00 175.55 174.26 1v4p n ASP 92 N -2.41 1.28 -0.31 2.29 8.00 -1.26 -4.76 116.55 119.38 1v4p n ASP 92 Ca 0.03 -1.97 0.10 0.00 0.71 0.00 0.00 54.79 53.66 1v4p n ASP 92 Cb 0.57 -0.34 0.27 0.00 -0.02 0.00 0.00 41.12 41.59 1v4p n ASP 92 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1v4p h LEU 93 N 0.00 0.49 -8.13 0.64 5.85 -1.22 -3.28 115.31 109.66 1v4p h LEU 93 Ca -0.20 0.12 -0.72 0.00 0.84 0.00 0.00 57.88 57.91 1v4p h LEU 93 Cb 0.85 0.05 -0.27 0.00 0.37 0.00 0.00 40.66 41.66 1v4p h LEU 93 CO 0.26 0.14 -0.43 -0.36 -0.34 0.00 0.00 178.44 177.71 1v4p s PHE 94 N -5.92 3.33 0.56 1.25 0.08 -1.26 -5.06 117.98 110.96 1v4p s PHE 94 Ca -0.12 -1.45 -0.20 0.00 0.12 0.00 0.00 56.93 55.28 1v4p s PHE 94 Cb 0.23 -3.07 -0.05 0.00 -0.57 0.00 0.00 43.02 39.56 1v4p s PHE 94 CO 0.78 -0.86 1.12 -2.30 -0.10 0.00 0.00 175.22 173.86 1v4p n PRO 95 N 4.97 1.23 -1.63 0.24 -0.02 -1.24 -4.88 135.00 133.68 1v4p n PRO 95 Ca -0.10 0.46 -0.48 0.00 -2.02 0.00 0.00 63.50 61.36 1v4p n PRO 95 Cb 0.43 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1v4p n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1v4p n VAL 96 N -1.34 0.48 -1.58 -1.45 0.31 -1.26 -4.86 118.33 108.63 1v4p n VAL 96 Ca 0.12 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 1v4p n VAL 96 Cb 0.45 -1.19 0.02 0.00 -0.91 0.00 0.00 33.84 32.21 1v4p n VAL 96 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1v4p n PRO 97 N 2.42 1.10 0.04 5.55 -0.02 -1.26 -4.85 135.00 137.99 1v4p n PRO 97 Ca 0.15 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 1v4p n PRO 97 Cb 0.26 -2.00 0.24 0.00 -0.02 0.00 0.00 33.50 31.99 1v4p n PRO 97 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1v4p n GLU 98 N -0.10 0.05 0.00 -0.52 -0.58 -1.26 -1.94 120.64 116.28 1v4p n GLU 98 Ca 0.11 0.45 0.14 0.00 -0.42 0.00 0.00 57.16 57.44 1v4p n GLU 98 Cb 0.42 -1.62 0.63 0.00 -0.57 0.00 0.00 31.44 30.30 1v4p n GLU 98 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1v4p n ASP 99 N -1.72 0.05 -4.54 1.62 5.75 -1.26 -4.58 116.55 111.88 1v4p n ASP 99 Ca 0.01 0.26 -0.43 0.00 -0.01 0.00 0.00 54.79 54.62 1v4p n ASP 99 Cb 0.08 -0.38 -0.07 0.00 -1.03 0.00 0.00 41.12 39.72 1v4p n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1v4p s VAL 100 N -2.88 4.83 -1.98 2.12 1.01 -0.82 -4.91 120.40 117.77 1v4p s VAL 100 Ca 0.18 0.31 0.20 0.00 0.00 0.00 0.00 61.98 62.68 1v4p s VAL 100 Cb 0.19 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1v4p s VAL 100 CO 0.52 -0.51 1.03 0.54 0.00 0.00 0.00 175.10 176.68 1v4p n ARG 101 N 6.24 1.50 -4.72 2.72 5.12 -1.26 -4.85 116.66 121.41 1v4p n ARG 101 Ca -0.01 -1.09 -0.26 0.00 -1.93 0.00 0.00 57.85 54.56 1v4p n ARG 101 Cb 0.48 -1.40 -0.17 0.00 -1.16 0.00 0.00 32.46 30.21 1v4p n ARG 101 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1v4p s ILE 102 N -2.16 1.35 -0.01 0.55 -1.09 -1.26 -0.39 121.20 118.19 1v4p s ILE 102 Ca 0.18 -0.60 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 1v4p s ILE 102 Cb 0.16 -1.22 -0.02 0.00 -1.58 0.00 0.00 42.46 39.81 1v4p s ILE 102 CO 0.46 0.40 -0.26 -0.76 -1.23 0.00 0.00 174.94 173.56 1v4p s LEU 103 N 0.61 2.06 -0.25 2.97 1.43 0.64 -4.85 118.68 121.30 1v4p s LEU 103 Ca -0.15 -0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 52.39 1v4p s LEU 103 Cb -0.16 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1v4p s LEU 103 CO 0.05 0.31 0.10 -0.54 0.23 0.00 0.00 176.35 176.49 1v4p s LYS 104 N -0.68 3.78 -0.16 1.70 1.02 -1.25 -0.36 119.74 123.79 1v4p s LYS 104 Ca 0.10 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.67 1v4p s LYS 104 Cb -0.10 -3.39 -0.00 0.00 -0.52 0.00 0.00 37.83 33.82 1v4p s LYS 104 CO -0.01 -0.11 -0.14 0.08 -0.92 0.00 0.00 175.35 174.25 1v4p s VAL 105 N 1.44 2.73 -0.03 3.17 1.01 0.44 -0.81 120.40 128.35 1v4p s VAL 105 Ca 0.06 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 1v4p s VAL 105 Cb -0.15 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1v4p s VAL 105 CO 0.05 0.51 0.59 -0.69 0.00 0.00 0.00 175.10 175.56 1v4p s VAL 106 N 0.87 4.98 -0.07 2.92 1.01 0.83 0.33 120.40 131.28 1v4p s VAL 106 Ca -0.04 1.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.16 1v4p s VAL 106 Cb -0.15 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1v4p s VAL 106 CO -0.01 0.38 -0.04 -0.69 0.00 0.00 0.00 175.10 174.74 1v4p s VAL 107 N 0.11 0.60 -0.35 2.92 1.01 0.14 -1.17 120.40 123.66 1v4p s VAL 107 Ca 0.31 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1v4p s VAL 107 Cb -0.18 -0.68 0.09 0.00 0.00 0.00 0.00 36.38 35.61 1v4p s VAL 107 CO 0.16 0.28 0.08 -0.63 0.00 0.00 0.00 175.10 174.99 1v4p s ILE 108 N 1.54 2.84 -0.22 2.22 1.01 0.29 -0.86 121.20 128.01 1v4p s ILE 108 Ca -0.01 -1.93 -0.33 0.00 0.00 0.00 0.00 60.65 58.38 1v4p s ILE 108 Cb -0.13 -2.88 -0.15 0.00 0.01 0.00 0.00 42.46 39.31 1v4p s ILE 108 CO -0.04 -0.46 1.05 -0.62 0.00 0.00 0.00 174.94 174.87 1v4p n GLU 109 N 4.49 0.00 -3.64 2.79 1.02 -1.26 -0.69 120.64 123.35 1v4p n GLU 109 Ca -0.04 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.82 1v4p n GLU 109 Cb 0.42 -1.14 -0.00 0.00 -0.02 0.00 0.00 31.44 30.70 1v4p n GLU 109 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1v4p n ASP 110 N 2.25 -3.96 0.08 1.62 2.03 -1.26 -4.72 116.55 112.59 1v4p n ASP 110 Ca 0.20 -0.59 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1v4p n ASP 110 Cb -0.00 -3.24 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 1v4p n ASP 110 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1v4p n TRP 111 N -4.20 -1.62 -3.66 -0.67 -0.00 0.13 -5.13 117.44 102.28 1v4p n TRP 111 Ca 0.01 0.31 -0.12 0.00 -0.00 0.00 0.00 57.50 57.70 1v4p n TRP 111 Cb 0.53 0.81 -0.08 0.00 -0.00 0.00 0.00 31.31 32.56 1v4p n TRP 111 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1v4p s ASN 112 N -4.56 -0.69 -0.09 5.87 3.84 -0.48 -4.24 114.94 114.58 1v4p s ASN 112 Ca 0.00 1.28 0.00 0.00 0.21 0.00 0.00 52.86 54.35 1v4p s ASN 112 Cb 0.00 1.26 0.02 0.00 -0.55 0.00 0.00 41.25 41.98 1v4p s ASN 112 CO 0.00 -0.22 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.32 1v4p s VAL 113 N 0.65 0.98 -0.19 -5.21 1.01 -1.26 -0.55 120.40 115.82 1v4p s VAL 113 Ca -0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1v4p s VAL 113 Cb -0.05 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.42 1v4p s VAL 113 CO -0.04 0.35 0.48 0.21 0.00 0.00 0.00 175.10 176.09 1v4p s ASN 114 N 1.42 -0.61 -0.24 3.32 3.84 -0.31 -4.09 114.94 118.27 1v4p s ASN 114 Ca -0.01 1.03 -0.29 0.00 0.21 0.00 0.00 52.86 53.80 1v4p s ASN 114 Cb -0.13 0.92 -0.02 0.00 -0.55 0.00 0.00 41.25 41.47 1v4p s ASN 114 CO -0.05 -0.20 1.45 0.00 -2.79 0.00 0.00 177.10 175.51 1v4p s ALA 115 N 1.35 3.38 -0.18 1.71 0.00 0.61 -0.12 121.76 128.50 1v4p s ALA 115 Ca -0.09 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 1v4p s ALA 115 Cb -0.07 -3.79 0.06 0.00 0.00 0.00 0.00 23.12 19.32 1v4p s ALA 115 CO -0.13 -1.75 0.45 0.00 0.00 0.00 0.00 175.76 174.32 1v4p n ASN 117 N 4.01 4.37 -4.59 0.00 0.23 -1.26 -4.52 115.26 113.51 1v4p n ASN 117 Ca -0.21 -2.27 -0.26 0.00 -0.53 0.00 0.00 54.58 51.31 1v4p n ASN 117 Cb 0.56 -0.53 0.12 0.00 -2.08 0.00 0.00 39.78 37.85 1v4p n ASN 117 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1v4p s LYS 118 N -1.51 1.52 0.10 -3.83 1.02 -1.26 -5.07 119.74 110.72 1v4p s LYS 118 Ca 0.49 -0.65 -0.14 0.00 0.02 0.00 0.00 55.97 55.69 1v4p s LYS 118 Cb 0.29 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 35.40 1v4p s LYS 118 CO 0.27 -1.67 0.51 -1.21 -0.92 0.00 0.00 175.35 172.33 1v4p s GLU 119 N -5.39 3.97 0.28 1.68 0.41 -1.26 -5.09 118.70 113.30 1v4p s GLU 119 Ca 0.67 0.47 0.02 0.00 -0.41 0.00 0.00 54.97 55.72 1v4p s GLU 119 Cb -0.06 -3.03 -0.06 0.00 -1.78 0.00 0.00 34.13 29.20 1v4p s GLU 119 CO 0.47 0.54 0.07 -1.01 -0.49 0.00 0.00 175.26 174.85 1v4p s HIS 120 N -1.35 1.70 0.74 1.61 3.76 -1.26 -4.69 115.29 115.80 1v4p s HIS 120 Ca 0.34 -1.07 -0.12 0.00 -0.15 0.00 0.00 55.06 54.06 1v4p s HIS 120 Cb -0.16 -1.04 0.04 0.00 1.11 0.00 0.00 32.58 32.53 1v4p s HIS 120 CO 0.18 -0.18 1.12 0.95 -0.85 0.00 0.00 174.74 175.96 1v4p s THR 121 N -3.55 3.08 0.14 1.30 -4.23 -1.26 -4.98 115.64 106.14 1v4p s THR 121 Ca 0.36 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 1v4p s THR 121 Cb 0.08 -3.31 -0.18 0.00 1.34 0.00 0.00 72.50 70.42 1v4p s THR 121 CO 0.14 -0.46 1.33 0.11 -0.54 0.00 0.00 174.62 175.20 1v4p h LYS 122 N -0.81 0.10 -4.62 3.99 6.56 -1.97 -3.43 116.57 116.39 1v4p h LYS 122 Ca -0.46 -0.13 -0.22 0.00 -1.06 0.00 0.00 60.65 58.78 1v4p h LYS 122 Cb 1.27 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 32.83 1v4p h LYS 122 CO 0.64 0.97 -0.68 0.95 -2.06 0.00 0.00 179.45 179.27 1v4p s THR 123 N -2.96 0.59 0.05 -0.16 -4.23 -1.26 -1.24 115.64 106.43 1v4p s THR 123 Ca -0.01 -1.93 0.31 0.00 -1.18 0.00 0.00 61.69 58.88 1v4p s THR 123 Cb 0.10 -1.79 0.36 0.00 1.34 0.00 0.00 72.50 72.51 1v4p s THR 123 CO 0.82 -0.77 1.92 0.71 -0.54 0.00 0.00 174.62 176.77 1v4p h THR 124 N 2.92 0.10 0.00 3.99 1.35 -1.13 -2.88 112.91 117.26 1v4p h THR 124 Ca -0.35 -0.67 -0.02 0.00 -0.55 0.00 0.00 66.41 64.81 1v4p h THR 124 Cb 1.17 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1v4p h THR 124 CO 0.64 0.04 -0.12 1.23 -0.25 0.00 0.00 175.52 177.06 1v4p h GLY 125 N 2.25 0.00 1.65 5.82 0.00 -1.79 -2.49 103.07 108.50 1v4p h GLY 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v4p h GLY 125 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.73 1v4p n GLU 126 N -3.31 0.33 -0.02 4.80 1.02 -1.09 -3.63 120.64 118.75 1v4p n GLU 126 Ca -0.00 0.02 -0.09 0.00 -0.02 0.00 0.00 57.16 57.07 1v4p n GLU 126 Cb 0.34 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.18 1v4p n GLU 126 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1v4p h ILE 127 N 0.00 1.00 0.00 -3.67 2.04 -1.61 -3.48 117.51 111.80 1v4p h ILE 127 Ca 0.00 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1v4p h ILE 127 Cb 0.30 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1v4p h ILE 127 CO 0.00 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.08 1v4p n GLY 128 N 1.32 0.78 3.70 5.37 0.00 -1.24 -4.91 105.19 110.21 1v4p n GLY 128 Ca -0.07 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 1v4p n GLY 128 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v4p n PRO 129 N 0.72 2.26 -5.01 1.61 -0.04 -1.26 -4.89 135.00 128.41 1v4p n PRO 129 Ca 0.00 0.80 -0.32 0.00 -0.04 0.00 0.00 63.50 63.94 1v4p n PRO 129 Cb 0.00 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 30.83 1v4p n PRO 129 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1v4p s ILE 130 N -0.19 2.78 -0.11 0.52 1.01 -1.26 -1.59 121.20 122.35 1v4p s ILE 130 Ca 0.65 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1v4p s ILE 130 Cb -0.59 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1v4p s ILE 130 CO 0.51 0.59 -0.08 -0.75 0.00 0.00 0.00 174.94 175.21 1v4p s LYS 131 N -0.70 1.55 -0.26 2.79 2.47 -0.44 -4.90 119.74 120.25 1v4p s LYS 131 Ca 0.11 -0.27 -0.28 0.00 -1.56 0.00 0.00 55.97 53.96 1v4p s LYS 131 Cb -0.10 -1.57 0.01 0.00 -1.46 0.00 0.00 37.83 34.70 1v4p s LYS 131 CO 0.00 -0.24 1.02 0.42 0.16 0.00 0.00 175.35 176.71 1v4p s ILE 132 N 1.60 4.66 -0.20 5.43 1.01 -1.26 -0.14 121.20 132.29 1v4p s ILE 132 Ca 0.03 1.88 -0.08 0.00 0.00 0.00 0.00 60.65 62.47 1v4p s ILE 132 Cb -0.13 -4.31 -0.20 0.00 0.01 0.00 0.00 42.46 37.83 1v4p s ILE 132 CO -0.07 -0.25 0.06 0.54 0.00 0.00 0.00 174.94 175.22 1v4p n ARG 133 N 6.43 0.67 -3.88 2.79 5.12 0.25 -4.97 116.66 123.06 1v4p n ARG 133 Ca 0.11 0.29 -0.11 0.00 -1.93 0.00 0.00 57.85 56.21 1v4p n ARG 133 Cb 0.47 -1.63 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 1v4p n ARG 133 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1v4p s LYS 134 N -2.50 0.26 -0.06 5.56 2.20 -1.00 -5.02 119.74 119.18 1v4p s LYS 134 Ca -0.30 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 1v4p s LYS 134 Cb 0.08 0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1v4p s LYS 134 CO 0.64 -0.05 -0.05 0.08 -0.36 0.00 0.00 175.35 175.62 1v4p s VAL 135 N -0.69 0.62 -0.05 4.02 1.01 -1.26 0.03 120.40 124.08 1v4p s VAL 135 Ca -0.08 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1v4p s VAL 135 Cb -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1v4p s VAL 135 CO 0.00 0.26 -0.08 -0.60 0.00 0.00 0.00 175.10 174.69 1v4p s ARG 136 N 1.20 1.13 -0.21 2.72 3.52 -0.45 -4.99 118.95 121.87 1v4p s ARG 136 Ca -0.06 -0.25 -0.05 0.00 -0.13 0.00 0.00 55.73 55.24 1v4p s ARG 136 Cb -0.14 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.21 1v4p s ARG 136 CO -0.02 0.00 0.00 0.12 -0.81 0.00 0.00 175.30 174.60 1v4p s PHE 137 N 0.65 3.03 -0.53 5.12 5.36 -1.26 -0.32 117.98 130.03 1v4p s PHE 137 Ca -0.11 -0.51 -0.14 0.00 -0.96 0.00 0.00 56.93 55.21 1v4p s PHE 137 Cb -0.13 -2.10 0.13 0.00 -0.34 0.00 0.00 43.02 40.57 1v4p s PHE 137 CO 0.01 -0.29 0.47 1.03 -1.46 0.00 0.00 175.22 174.98 1v4p s ARG 138 N 1.11 2.87 0.10 10.12 0.52 0.53 -4.97 118.95 129.23 1v4p s ARG 138 Ca 0.02 -1.73 -0.23 0.00 -0.52 0.00 0.00 55.73 53.28 1v4p s ARG 138 Cb -0.14 -4.21 -0.13 0.00 0.52 0.00 0.00 34.95 30.98 1v4p s ARG 138 CO 0.01 -1.30 1.73 -0.22 0.02 0.00 0.00 175.30 175.54 1v4p h LYS 139 N 8.78 -0.03 -0.68 3.54 3.64 -1.96 0.22 116.57 130.09 1v4p h LYS 139 Ca -0.28 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1v4p h LYS 139 Cb 1.09 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 1v4p h LYS 139 CO 1.00 -0.02 0.40 1.03 -2.27 0.00 0.00 179.45 179.59 1v4p h SER 140 N -0.03 0.63 0.99 4.20 0.87 -1.97 -2.54 113.55 115.70 1v4p h SER 140 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1v4p h SER 140 Cb 0.05 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1v4p h SER 140 CO -0.04 0.42 -0.45 0.29 -0.53 0.00 0.00 176.83 176.53 1v4p n LYS 141 N -4.73 0.26 -3.16 2.24 5.02 -1.18 -4.96 118.16 111.64 1v4p n LYS 141 Ca 0.08 0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.33 1v4p n LYS 141 Cb 0.13 -1.70 0.06 0.00 -0.02 0.00 0.00 35.03 33.51 1v4p n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v4p n GLY 142 N 1.35 -0.15 3.19 0.72 0.00 0.71 -4.96 105.19 106.05 1v4p n GLY 142 Ca 0.04 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1v4p n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v4p s LEU 143 N -5.41 1.98 -0.20 0.99 1.43 -0.83 -1.68 118.68 114.96 1v4p s LEU 143 Ca 0.18 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1v4p s LEU 143 Cb -0.08 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.07 1v4p s LEU 143 CO 0.54 0.20 -0.13 -0.22 0.23 0.00 0.00 176.35 176.98 1v4p s LEU 144 N -0.16 2.51 -0.18 1.79 2.96 0.53 -0.34 118.68 125.78 1v4p s LEU 144 Ca -0.00 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 1v4p s LEU 144 Cb -0.11 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.94 1v4p s LEU 144 CO 0.02 -0.01 0.11 -1.61 -1.32 0.00 0.00 176.35 173.53 1v4p s GLU 145 N 1.37 4.03 -0.26 1.98 2.02 0.56 -1.27 118.70 127.13 1v4p s GLU 145 Ca 0.05 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 54.81 1v4p s GLU 145 Cb -0.14 -3.32 0.06 0.00 0.10 0.00 0.00 34.13 30.83 1v4p s GLU 145 CO -0.08 0.35 -0.10 0.42 0.02 0.00 0.00 175.26 175.86 1v4p s ILE 146 N 0.21 2.10 -0.22 -1.63 1.01 0.62 -1.35 121.20 121.95 1v4p s ILE 146 Ca 0.07 -1.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.00 1v4p s ILE 146 Cb -0.12 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1v4p s ILE 146 CO -0.01 -0.04 0.20 -1.00 0.00 0.00 0.00 174.94 174.09 1v4p s HIS 147 N 1.13 3.35 0.17 3.97 3.76 0.10 -1.47 115.29 126.30 1v4p s HIS 147 Ca -0.08 0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 1v4p s HIS 147 Cb -0.20 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 1v4p s HIS 147 CO -0.05 0.12 0.02 -0.59 -0.85 0.00 0.00 174.74 173.38 1v4p s PHE 148 N 0.90 1.15 -0.00 1.40 -0.12 -0.36 -0.59 117.98 120.37 1v4p s PHE 148 Ca 0.10 -1.07 0.05 0.00 -0.05 0.00 0.00 56.93 55.96 1v4p s PHE 148 Cb -0.13 -0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 41.59 1v4p s PHE 148 CO 0.04 -0.28 -0.16 -2.00 -0.05 0.00 0.00 175.22 172.76 1v4p s GLU 149 N -3.95 1.24 -0.43 1.99 2.12 0.80 -1.34 118.70 119.13 1v4p s GLU 149 Ca 0.24 -0.62 -0.19 0.00 0.36 0.00 0.00 54.97 54.77 1v4p s GLU 149 Cb 0.06 -1.22 0.02 0.00 0.26 0.00 0.00 34.13 33.26 1v4p s GLU 149 CO 0.04 0.33 0.53 -1.17 -0.54 0.00 0.00 175.26 174.45 1v4p s LEU 150 N -0.53 4.72 0.00 2.70 2.96 -0.16 -1.33 118.68 127.05 1v4p s LEU 150 Ca 0.06 -0.54 0.24 0.00 -0.22 0.00 0.00 54.13 53.66 1v4p s LEU 150 Cb -0.06 -2.53 1.41 0.00 0.50 0.00 0.00 46.19 45.51 1v4p s LEU 150 CO -0.00 -0.68 1.78 0.18 -1.32 0.00 0.00 176.35 176.31