#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p n VAL 3 N 0.00 0.00 0.36 0.00 3.14 -1.26 -4.00 118.33 116.57 1m4p n VAL 3 Ca 0.00 -0.11 0.07 0.00 -2.96 0.00 0.00 64.34 61.34 1m4p n VAL 3 Cb 0.00 0.90 0.30 0.00 -1.06 0.00 0.00 33.84 33.99 1m4p n VAL 3 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1m4p n SER 4 N -0.86 0.17 -0.36 6.55 2.88 -1.26 -3.35 113.62 117.39 1m4p n SER 4 Ca 0.07 0.55 0.31 0.00 -1.33 0.00 0.00 58.87 58.47 1m4p n SER 4 Cb 0.38 -0.58 0.52 0.00 -0.75 0.00 0.00 64.21 63.77 1m4p n SER 4 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m4p n GLU 5 N -1.70 -0.03 0.45 -1.46 -0.00 -1.26 0.20 120.64 116.85 1m4p n GLU 5 Ca 0.02 0.96 -0.18 0.00 -0.00 0.00 0.00 57.16 57.97 1m4p n GLU 5 Cb 0.14 -1.89 -0.08 0.00 -0.00 0.00 0.00 31.44 29.61 1m4p n GLU 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m4p h SER 6 N 0.00 -0.97 0.91 -1.84 0.02 -1.92 -2.16 113.55 107.59 1m4p h SER 6 Ca 0.67 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.62 1m4p h SER 6 Cb 2.16 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.94 1m4p h SER 6 CO -0.36 -0.64 -0.16 -0.61 -1.14 0.00 0.00 176.83 173.92 1m4p h GLN 7 N -1.26 0.00 -0.39 3.45 5.75 0.85 -2.63 115.11 120.88 1m4p h GLN 7 Ca -0.12 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1m4p h GLN 7 Cb 0.88 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 1m4p h GLN 7 CO 0.19 0.16 0.15 -0.07 -2.65 0.00 0.00 178.83 176.62 1m4p h LEU 8 N 0.00 0.50 -1.13 -2.39 3.38 0.25 0.17 115.31 116.08 1m4p h LEU 8 Ca -0.00 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1m4p h LEU 8 Cb 0.66 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1m4p h LEU 8 CO 0.02 0.46 -0.41 0.50 0.09 0.00 0.00 178.44 179.10 1m4p h LYS 9 N 0.55 0.05 0.00 1.13 3.11 -1.00 -1.60 116.57 118.82 1m4p h LYS 9 Ca 0.14 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.95 1m4p h LYS 9 Cb 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1m4p h LYS 9 CO -0.01 0.45 -0.35 1.17 -2.81 0.00 0.00 179.45 177.90 1m4p n LYS 10 N -4.05 0.12 0.01 1.90 4.81 -0.15 -3.31 118.16 117.49 1m4p n LYS 10 Ca -0.02 0.05 0.13 0.00 -0.87 0.00 0.00 58.31 57.60 1m4p n LYS 10 Cb 0.44 -1.59 0.56 0.00 0.02 0.00 0.00 35.03 34.46 1m4p n LYS 10 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1m4p n MET 11 N -1.77 0.02 0.00 1.64 2.81 0.41 -4.56 117.12 115.67 1m4p n MET 11 Ca 0.05 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1m4p n MET 11 Cb 0.38 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 1m4p n MET 11 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1m4p n VAL 12 N -1.57 0.00 -2.25 2.03 0.24 -1.20 -4.91 118.33 110.67 1m4p n VAL 12 Ca 0.06 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.27 1m4p n VAL 12 Cb 0.32 -0.14 -0.01 0.00 -1.47 0.00 0.00 33.84 32.55 1m4p n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4p n SER 13 N 0.00 -3.00 -0.74 -1.34 7.64 -1.22 -4.66 113.62 110.29 1m4p n SER 13 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1m4p n SER 13 Cb 0.00 -2.65 -0.00 0.00 -1.01 0.00 0.00 64.21 60.55 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4p n LYS 14 N -2.53 0.00 -4.14 1.43 5.02 -1.26 -5.08 118.16 111.60 1m4p n LYS 14 Ca -0.10 -0.97 -0.31 0.00 -2.02 0.00 0.00 58.31 54.91 1m4p n LYS 14 Cb 0.53 -0.20 -0.08 0.00 -0.02 0.00 0.00 35.03 35.27 1m4p n LYS 14 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1m4p s TYR 15 N 0.00 3.10 0.61 2.13 1.51 -1.26 -4.97 117.35 118.47 1m4p s TYR 15 Ca 0.07 0.05 0.28 0.00 -1.01 0.00 0.00 57.07 56.46 1m4p s TYR 15 Cb 0.08 -1.62 1.45 0.00 -0.11 0.00 0.00 41.96 41.76 1m4p s TYR 15 CO -0.03 0.49 1.85 -0.22 -1.11 0.00 0.00 175.55 176.54 1m4p h LYS 16 N 3.68 0.00 -0.85 -0.62 3.11 -1.95 -3.03 116.57 116.91 1m4p h LYS 16 Ca -0.48 0.00 -0.36 0.00 -2.81 0.00 0.00 60.65 57.00 1m4p h LYS 16 Cb 1.17 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.15 1m4p h LYS 16 CO 0.61 0.00 -0.75 0.66 -2.81 0.00 0.00 179.45 177.16 1m4p n TYR 17 N -3.50 -2.08 -0.23 1.91 4.01 -1.26 -4.98 117.16 111.03 1m4p n TYR 17 Ca 0.07 -2.53 -0.05 0.00 -0.16 0.00 0.00 57.90 55.23 1m4p n TYR 17 Cb 0.66 0.75 0.05 0.00 -0.31 0.00 0.00 39.34 40.49 1m4p n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4p h ARG 18 N 3.99 0.83 0.44 -0.72 2.43 -1.93 0.53 114.38 119.96 1m4p h ARG 18 Ca -0.06 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1m4p h ARG 18 Cb 0.97 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1m4p h ARG 18 CO 0.38 0.55 -0.27 0.22 -1.51 0.00 0.00 179.97 179.34 1m4p h ASP 19 N 0.86 -0.68 -0.23 -3.80 1.82 -1.94 1.47 116.42 113.91 1m4p h ASP 19 Ca 0.24 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1m4p h ASP 19 Cb -0.07 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1m4p h ASP 19 CO -0.06 -0.43 0.15 0.25 -1.61 0.00 0.00 179.24 177.54 1m4p h LEU 20 N -0.68 0.27 0.10 2.28 5.85 -1.90 0.13 115.31 121.36 1m4p h LEU 20 Ca -0.05 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1m4p h LEU 20 Cb 0.56 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1m4p h LEU 20 CO 0.05 0.19 -0.05 0.74 -0.34 0.00 0.00 178.44 179.03 1m4p h THR 21 N 0.31 1.12 -0.87 1.05 2.02 0.10 0.14 112.91 116.78 1m4p h THR 21 Ca 0.08 -1.18 0.08 0.00 0.77 0.00 0.00 66.41 66.17 1m4p h THR 21 Cb -0.04 1.83 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 1m4p h THR 21 CO -0.02 0.27 0.53 0.58 0.37 0.00 0.00 175.52 177.25 1m4p h VAL 22 N -0.72 0.97 -0.14 3.16 2.07 0.25 1.35 116.25 123.20 1m4p h VAL 22 Ca -0.01 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1m4p h VAL 22 Cb 0.55 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1m4p h VAL 22 CO 0.02 0.17 -0.49 -0.09 0.02 0.00 0.00 177.57 177.20 1m4p h ARG 23 N 0.91 0.37 -0.08 1.57 2.43 -0.75 -1.09 114.38 117.73 1m4p h ARG 23 Ca 0.40 -0.21 -0.16 0.00 -0.81 0.00 0.00 59.98 59.21 1m4p h ARG 23 Cb 0.29 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1m4p h ARG 23 CO -0.22 0.78 -0.57 0.93 -1.51 0.00 0.00 179.97 179.38 1m4p h GLU 24 N 0.29 0.54 -0.09 0.20 5.08 0.13 -0.87 114.58 119.86 1m4p h GLU 24 Ca 0.01 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1m4p h GLU 24 Cb 0.97 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1m4p h GLU 24 CO 0.08 1.10 0.04 1.15 -1.00 0.00 0.00 179.01 180.38 1m4p h THR 25 N 0.13 1.11 -0.72 1.13 2.02 0.17 0.29 112.91 117.05 1m4p h THR 25 Ca -0.05 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1m4p h THR 25 Cb 1.23 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 1m4p h THR 25 CO 0.12 0.09 0.30 -0.37 0.37 0.00 0.00 175.52 176.03 1m4p h VAL 26 N 0.03 1.25 -0.70 3.16 -1.51 -1.26 -1.21 116.25 116.00 1m4p h VAL 26 Ca 0.03 -0.76 -0.03 0.00 -1.23 0.00 0.00 66.70 64.71 1m4p h VAL 26 Cb 0.11 0.41 -0.03 0.00 -2.13 0.00 0.00 31.29 29.64 1m4p h VAL 26 CO -0.00 0.31 0.31 0.78 -1.23 0.00 0.00 177.57 177.73 1m4p h ASN 27 N 1.02 0.92 0.83 4.19 2.35 -0.83 0.80 115.58 124.86 1m4p h ASN 27 Ca 0.24 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1m4p h ASN 27 Cb 0.19 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.33 1m4p h ASN 27 CO -0.02 0.80 -0.40 0.58 -1.65 0.00 0.00 177.43 176.74 1m4p h VAL 28 N 1.00 0.00 -0.22 2.81 2.07 0.32 0.57 116.25 122.81 1m4p h VAL 28 Ca 0.24 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1m4p h VAL 28 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1m4p h VAL 28 CO -0.03 0.00 0.14 0.16 0.02 0.00 0.00 177.57 177.87 1m4p h ILE 29 N -1.16 1.05 0.00 4.57 3.07 -1.12 0.28 117.51 124.20 1m4p h ILE 29 Ca -0.11 -0.10 -0.04 0.00 1.55 0.00 0.00 64.86 66.15 1m4p h ILE 29 Cb 0.86 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.14 1m4p h ILE 29 CO 0.19 0.05 -0.20 0.74 -1.05 0.00 0.00 178.15 177.88 1m4p h THR 30 N 0.29 0.48 0.01 0.16 2.02 0.97 1.09 112.91 117.93 1m4p h THR 30 Ca 0.08 -1.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.02 1m4p h THR 30 Cb -0.03 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1m4p h THR 30 CO -0.02 0.20 -0.82 0.25 0.37 0.00 0.00 175.52 175.50 1m4p h LEU 31 N 0.00 0.05 0.00 2.58 5.85 0.31 -3.44 115.31 120.66 1m4p h LEU 31 Ca -0.00 -0.73 -0.05 0.00 0.84 0.00 0.00 57.88 57.94 1m4p h LEU 31 Cb 0.75 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1m4p h LEU 31 CO 0.03 1.33 -0.98 -1.22 -0.34 0.00 0.00 178.44 177.26 1m4p n TYR 32 N -4.44 0.00 -0.66 1.25 4.01 0.69 -5.00 117.16 113.01 1m4p n TYR 32 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1m4p n TYR 32 Cb 0.64 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1m4p n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1m4p n LYS 33 N -4.19 0.00 -0.01 -0.72 4.81 0.38 -4.85 118.16 113.57 1m4p n LYS 33 Ca -0.15 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.31 1m4p n LYS 33 Cb 0.46 -1.71 -0.13 0.00 0.02 0.00 0.00 35.03 33.67 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1m4p n ASP 34 N 0.00 0.31 -4.46 3.14 8.00 -1.26 -4.74 116.55 117.53 1m4p n ASP 34 Ca 0.00 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1m4p n ASP 34 Cb 0.00 1.10 -0.03 0.00 -0.02 0.00 0.00 41.12 42.17 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4p s LEU 35 N -5.19 4.49 -0.21 0.64 1.02 -1.26 -3.45 118.68 114.73 1m4p s LEU 35 Ca -0.06 -1.29 -0.27 0.00 0.02 0.00 0.00 54.13 52.52 1m4p s LEU 35 Cb 0.10 -2.42 -0.00 0.00 0.02 0.00 0.00 46.19 43.88 1m4p s LEU 35 CO 0.85 -1.35 0.94 -1.59 0.02 0.00 0.00 176.35 175.22 1m4p s LYS 36 N 3.78 4.26 0.24 1.70 -2.85 0.29 -4.53 119.74 122.63 1m4p s LYS 36 Ca 0.27 1.18 -0.30 0.00 -1.00 0.00 0.00 55.97 56.12 1m4p s LYS 36 Cb -0.12 -3.62 -0.09 0.00 -2.06 0.00 0.00 37.83 31.94 1m4p s LYS 36 CO 0.04 -0.51 1.09 -1.25 0.10 0.00 0.00 175.35 174.82 1m4p s PRO 37 N 2.79 4.64 0.07 1.78 0.04 -1.26 -2.12 135.00 140.94 1m4p s PRO 37 Ca 0.41 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1m4p s PRO 37 Cb -0.16 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1m4p s PRO 37 CO 0.09 0.18 -0.04 0.54 0.04 0.00 0.00 177.00 177.81 1m4p s VAL 38 N -0.84 0.41 -0.09 -0.36 0.11 0.00 -4.57 120.40 115.07 1m4p s VAL 38 Ca 0.46 -1.84 0.02 0.00 -2.93 0.00 0.00 61.98 57.69 1m4p s VAL 38 Cb -0.31 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 1m4p s VAL 38 CO 0.38 -0.94 -0.13 -0.22 -3.33 0.00 0.00 175.10 170.87 1m4p s LEU 39 N -2.94 2.77 -0.01 2.54 1.98 -1.26 0.30 118.68 122.05 1m4p s LEU 39 Ca 0.08 -0.24 0.00 0.00 -2.89 0.00 0.00 54.13 51.09 1m4p s LEU 39 Cb 0.06 -1.59 0.01 0.00 0.66 0.00 0.00 46.19 45.33 1m4p s LEU 39 CO -0.08 0.27 -0.00 1.51 -1.89 0.00 0.00 176.35 176.16 1m4p s ASP 40 N -0.28 0.19 -0.04 3.68 -4.77 -0.86 -4.92 116.67 109.67 1m4p s ASP 40 Ca 0.02 -0.01 0.03 0.00 -3.30 0.00 0.00 52.55 49.29 1m4p s ASP 40 Cb -0.13 -0.06 0.00 0.00 -1.09 0.00 0.00 42.92 41.64 1m4p s ASP 40 CO 0.03 -0.03 -0.12 -0.55 0.70 0.00 0.00 175.17 175.20 1m4p s SER 41 N 0.37 1.59 0.18 2.11 0.15 -1.26 -2.52 113.70 114.32 1m4p s SER 41 Ca -0.03 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.12 1m4p s SER 41 Cb -0.05 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 63.79 1m4p s SER 41 CO -0.01 0.08 0.88 -0.47 1.20 0.00 0.00 173.24 174.92 1m4p s TYR 42 N 0.30 -0.17 0.17 3.44 5.04 -0.58 -4.89 117.35 120.66 1m4p s TYR 42 Ca -0.06 -0.17 -0.27 0.00 -2.44 0.00 0.00 57.07 54.13 1m4p s TYR 42 Cb -0.11 0.65 -0.08 0.00 0.35 0.00 0.00 41.96 42.77 1m4p s TYR 42 CO 0.02 -0.93 0.84 0.14 -1.34 0.00 0.00 175.55 174.28 1m4p s VAL 43 N -3.46 4.31 0.23 3.14 -7.23 -1.26 0.16 120.40 116.29 1m4p s VAL 43 Ca 0.11 1.85 0.00 0.00 -1.81 0.00 0.00 61.98 62.13 1m4p s VAL 43 Cb -0.03 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.70 1m4p s VAL 43 CO 0.03 0.49 0.00 0.49 -0.31 0.00 0.00 175.10 175.79 1m4p n PHE 44 N 1.76 -2.17 -1.53 2.82 3.72 -0.59 -4.64 117.46 116.83 1m4p n PHE 44 Ca -0.04 0.43 -0.22 0.00 -0.05 0.00 0.00 57.45 57.58 1m4p n PHE 44 Cb 0.48 0.81 -0.12 0.00 -0.94 0.00 0.00 39.48 39.72 1m4p n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4p n ASN 45 N -3.24 0.76 -2.22 4.37 4.13 -1.24 -1.88 115.26 115.94 1m4p n ASN 45 Ca 0.00 -0.92 -0.03 0.00 1.68 0.00 0.00 54.58 55.31 1m4p n ASN 45 Cb 0.00 -1.25 -0.00 0.00 -1.54 0.00 0.00 39.78 36.99 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1m4p n ASP 46 N 13.64 -1.59 -0.48 6.41 2.03 -1.26 -1.42 116.55 133.88 1m4p n ASP 46 Ca 0.54 0.35 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1m4p n ASP 46 Cb 0.32 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m4p n GLY 47 N -0.48 0.86 2.70 0.27 0.00 -0.79 -5.11 105.19 102.64 1m4p n GLY 47 Ca -0.04 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4p s SER 48 N -2.28 1.91 0.25 1.61 0.15 -0.51 -4.78 113.70 110.05 1m4p s SER 48 Ca 0.00 -0.31 -0.27 0.00 0.70 0.00 0.00 55.95 56.07 1m4p s SER 48 Cb 0.00 -0.34 -0.16 0.00 -1.71 0.00 0.00 66.02 63.81 1m4p s SER 48 CO 0.00 -0.27 0.57 -0.24 1.20 0.00 0.00 173.24 174.50 1m4p n SER 49 N 5.20 -0.93 -3.85 5.45 2.88 -1.26 -1.54 113.62 119.57 1m4p n SER 49 Ca -0.06 1.09 -0.12 0.00 -1.33 0.00 0.00 58.87 58.45 1m4p n SER 49 Cb 0.49 -1.01 -0.13 0.00 -0.75 0.00 0.00 64.21 62.81 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1m4p s ARG 50 N -1.14 0.12 -0.31 -1.46 3.00 0.43 -4.81 118.95 114.77 1m4p s ARG 50 Ca 0.62 0.09 -0.06 0.00 -1.00 0.00 0.00 55.73 55.39 1m4p s ARG 50 Cb -0.84 0.05 0.03 0.00 0.00 0.00 0.00 34.95 34.20 1m4p s ARG 50 CO 0.58 -0.02 0.07 -2.00 0.00 0.00 0.00 175.30 173.93 1m4p s GLU 51 N -0.02 2.77 -0.06 5.12 2.12 -1.26 -1.53 118.70 125.83 1m4p s GLU 51 Ca -0.01 -1.07 -0.13 0.00 0.36 0.00 0.00 54.97 54.13 1m4p s GLU 51 Cb -0.01 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 31.05 1m4p s GLU 51 CO 0.00 -0.56 0.31 -0.48 -0.54 0.00 0.00 175.26 173.98 1m4p s LEU 52 N 1.41 0.85 0.21 2.70 -0.00 -1.05 -4.94 118.68 117.87 1m4p s LEU 52 Ca -0.01 0.34 -0.10 0.00 -0.00 0.00 0.00 54.13 54.36 1m4p s LEU 52 Cb -0.18 1.16 -0.07 0.00 -0.00 0.00 0.00 46.19 47.09 1m4p s LEU 52 CO 0.02 -0.28 0.54 0.00 -0.00 0.00 0.00 176.35 176.62 1m4p s MET 53 N -0.62 3.82 0.29 1.48 0.23 -1.24 -2.04 119.30 121.22 1m4p s MET 53 Ca -0.07 0.29 0.06 0.00 -1.03 0.00 0.00 55.69 54.94 1m4p s MET 53 Cb -0.04 -2.70 -0.06 0.00 -1.53 0.00 0.00 34.83 30.50 1m4p s MET 53 CO 0.02 0.35 -0.04 0.54 -2.03 0.00 0.00 175.02 173.86 1m4p s ASN 54 N -2.27 2.77 -0.00 -1.18 2.20 0.15 -0.34 114.94 116.27 1m4p s ASN 54 Ca 0.46 -1.22 0.07 0.00 -0.94 0.00 0.00 52.86 51.23 1m4p s ASN 54 Cb -0.12 -0.17 -0.02 0.00 -2.00 0.00 0.00 41.25 38.94 1m4p s ASN 54 CO 0.21 -0.37 -0.23 -0.76 -2.94 0.00 0.00 177.10 173.00 1m4p s LEU 55 N -3.46 2.25 -0.08 3.54 2.01 -0.14 -0.82 118.68 121.98 1m4p s LEU 55 Ca 0.30 -0.45 -0.14 0.00 0.01 0.00 0.00 54.13 53.86 1m4p s LEU 55 Cb 0.04 -1.38 0.03 0.00 0.01 0.00 0.00 46.19 44.89 1m4p s LEU 55 CO 0.13 0.30 0.34 0.28 1.01 0.00 0.00 176.35 178.41 1m4p s THR 56 N -0.71 0.02 -5.00 5.49 -1.32 -0.90 -1.92 115.64 111.30 1m4p s THR 56 Ca 0.11 -0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1m4p s THR 56 Cb -0.10 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 1m4p s THR 56 CO 0.01 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 1m4p n GLY 57 N 2.17 -0.85 3.01 6.08 0.00 -1.17 0.11 105.19 114.53 1m4p n GLY 57 Ca -0.17 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1m4p n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4p s THR 58 N -2.70 1.84 0.35 2.61 -4.23 -1.22 -0.82 115.64 111.46 1m4p s THR 58 Ca 0.00 -1.36 -0.24 0.00 -1.18 0.00 0.00 61.69 58.91 1m4p s THR 58 Cb 0.00 -1.99 -0.10 0.00 1.34 0.00 0.00 72.50 71.75 1m4p s THR 58 CO 0.00 -0.01 0.93 0.27 -0.54 0.00 0.00 174.62 175.27 1m4p s ILE 59 N 1.27 4.29 -0.33 2.99 -4.36 0.24 -4.66 121.20 120.63 1m4p s ILE 59 Ca -0.06 1.68 -0.29 0.00 -0.26 0.00 0.00 60.65 61.72 1m4p s ILE 59 Cb -0.19 -3.88 0.00 0.00 1.25 0.00 0.00 42.46 39.65 1m4p s ILE 59 CO -0.06 0.01 1.37 -2.16 0.24 0.00 0.00 174.94 174.34 1m4p s PRO 60 N -2.38 3.78 -0.35 0.37 0.04 -1.26 -0.75 135.00 134.45 1m4p s PRO 60 Ca 0.53 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1m4p s PRO 60 Cb -0.16 -3.95 -0.01 0.00 0.04 0.00 0.00 34.50 30.43 1m4p s PRO 60 CO 0.20 -1.30 0.27 0.08 0.04 0.00 0.00 177.00 176.29 1m4p s VAL 61 N 4.84 5.27 0.60 -0.36 1.01 -0.56 -4.93 120.40 126.27 1m4p s VAL 61 Ca 0.59 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 1m4p s VAL 61 Cb -0.16 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1m4p s VAL 61 CO 0.27 -0.06 1.05 -2.16 0.00 0.00 0.00 175.10 174.20 1m4p s PRO 62 N 1.76 3.32 0.00 2.72 0.04 -1.26 -0.33 135.00 141.25 1m4p s PRO 62 Ca 0.07 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1m4p s PRO 62 Cb -0.17 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1m4p s PRO 62 CO 0.11 -0.80 0.00 0.98 0.04 0.00 0.00 177.00 177.33 1m4p n TYR 63 N -2.17 0.00 0.68 0.56 9.36 0.48 -4.54 117.16 121.53 1m4p n TYR 63 Ca 0.08 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.41 1m4p n TYR 63 Cb 0.53 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.52 1m4p n TYR 63 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1m4p n ARG 64 N 0.00 2.14 0.00 2.98 0.63 -1.26 -4.49 116.66 116.66 1m4p n ARG 64 Ca 0.00 -1.73 0.00 0.00 -0.92 0.00 0.00 57.85 55.20 1m4p n ARG 64 Cb 0.00 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m4p n GLY 65 N 1.32 0.00 0.00 5.14 0.00 -1.26 -5.16 105.19 105.23 1m4p n GLY 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1m4p n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4p n ASN 66 N 0.00 0.00 -3.43 1.61 0.23 -1.26 -5.14 115.26 107.26 1m4p n ASN 66 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 1m4p n ASN 66 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.63 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1m4p s THR 67 N -2.31 -0.71 0.00 5.53 2.01 -1.26 0.18 115.64 119.08 1m4p s THR 67 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1m4p s THR 67 Cb 0.00 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1m4p s THR 67 CO 0.00 -0.04 0.00 -1.22 -0.69 0.00 0.00 174.62 172.67 1m4p n TYR 68 N 5.39 -1.90 -3.97 4.92 4.02 0.55 -4.78 117.16 121.39 1m4p n TYR 68 Ca -0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.53 1m4p n TYR 68 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.66 1m4p n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4p s ASN 69 N -1.00 3.60 -0.13 7.72 0.01 -1.26 -1.49 114.94 122.39 1m4p s ASN 69 Ca 0.00 -1.02 -0.03 0.00 -0.71 0.00 0.00 52.86 51.10 1m4p s ASN 69 Cb 0.00 -1.21 -0.03 0.00 0.41 0.00 0.00 41.25 40.42 1m4p s ASN 69 CO 0.00 -0.18 -0.02 -0.51 -1.51 0.00 0.00 177.10 174.87 1m4p s ILE 70 N 1.39 4.04 0.78 0.60 1.10 0.07 -4.91 121.20 124.27 1m4p s ILE 70 Ca -0.03 -0.32 -0.11 0.00 -0.51 0.00 0.00 60.65 59.67 1m4p s ILE 70 Cb -0.17 -2.74 0.06 0.00 0.15 0.00 0.00 42.46 39.75 1m4p s ILE 70 CO -0.07 0.53 1.09 -2.16 -2.11 0.00 0.00 174.94 172.22 1m4p s PRO 71 N -0.05 2.23 0.13 3.50 0.04 -1.26 0.79 135.00 140.38 1m4p s PRO 71 Ca 0.02 0.69 -0.25 0.00 0.04 0.00 0.00 61.00 61.50 1m4p s PRO 71 Cb -0.13 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.55 1m4p s PRO 71 CO 0.02 -1.53 0.91 -1.50 0.04 0.00 0.00 177.00 174.94 1m4p s ILE 72 N -3.14 0.00 -0.24 0.56 2.07 0.00 -4.24 121.20 116.21 1m4p s ILE 72 Ca 0.60 -0.54 -0.27 0.00 -1.41 0.00 0.00 60.65 59.04 1m4p s ILE 72 Cb -0.14 -1.76 0.12 0.00 0.13 0.00 0.00 42.46 40.81 1m4p s ILE 72 CO 0.54 0.00 1.01 0.00 -1.91 0.00 0.00 174.94 174.59 1m4p s LEU 74 N -0.18 0.79 -0.47 0.00 2.34 -0.81 -1.16 118.68 119.20 1m4p s LEU 74 Ca 0.01 -0.32 -0.09 0.00 0.06 0.00 0.00 54.13 53.80 1m4p s LEU 74 Cb -0.04 1.48 0.12 0.00 -0.56 0.00 0.00 46.19 47.20 1m4p s LEU 74 CO -0.04 -0.72 0.34 0.26 -1.06 0.00 0.00 176.35 175.13 1m4p s TRP 75 N -3.25 3.43 -1.16 3.48 0.52 -0.81 -0.97 118.94 120.18 1m4p s TRP 75 Ca -0.00 -1.90 -0.23 0.00 0.02 0.00 0.00 56.10 53.99 1m4p s TRP 75 Cb 0.01 -3.49 -0.11 0.00 -1.15 0.00 0.00 33.47 28.74 1m4p s TRP 75 CO -0.08 -0.99 1.95 -0.11 0.02 0.00 0.00 176.95 177.74 1m4p n LEU 76 N 4.89 2.95 -4.25 2.99 7.94 0.54 -3.47 117.00 128.59 1m4p n LEU 76 Ca -0.08 -3.10 -0.30 0.00 -1.11 0.00 0.00 56.01 51.43 1m4p n LEU 76 Cb 0.41 -1.71 0.29 0.00 0.53 0.00 0.00 43.42 42.93 1m4p n LEU 76 CO 0.43 -1.94 0.35 0.18 -1.11 0.00 0.00 177.39 175.30 1m4p n LEU 77 N 14.63 -0.62 0.06 -1.96 7.99 -1.26 -3.70 117.00 132.13 1m4p n LEU 77 Ca 0.45 -0.74 -0.05 0.00 -0.01 0.00 0.00 56.01 55.66 1m4p n LEU 77 Cb 0.46 -1.04 0.15 0.00 -0.11 0.00 0.00 43.42 42.88 1m4p n LEU 77 CO 0.69 -4.37 0.56 -2.24 -1.51 0.00 0.00 177.39 170.52 1m4p h ASP 78 N -3.47 0.37 0.00 -1.43 -0.00 -1.92 -3.44 116.42 106.53 1m4p h ASP 78 Ca -0.44 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 56.42 1m4p h ASP 78 Cb 1.32 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 1m4p h ASP 78 CO 0.28 0.80 0.00 1.07 -0.00 0.00 0.00 179.24 181.39 1m4p n THR 79 N -3.97 0.00 -3.86 1.15 5.66 -1.26 -3.57 114.28 108.42 1m4p n THR 79 Ca -0.02 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.88 1m4p n THR 79 Cb 0.54 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.24 1m4p n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1m4p s TYR 80 N 0.00 0.09 0.12 1.09 1.51 -1.26 -4.47 117.35 114.42 1m4p s TYR 80 Ca 0.00 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 1m4p s TYR 80 Cb 0.00 -0.06 -0.11 0.00 -0.11 0.00 0.00 41.96 41.68 1m4p s TYR 80 CO 0.00 -0.42 1.30 -1.00 -1.11 0.00 0.00 175.55 174.32 1m4p h PRO 81 N 3.49 0.55 0.00 -1.71 0.13 -1.92 -3.27 132.00 129.28 1m4p h PRO 81 Ca -0.32 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1m4p h PRO 81 Cb 1.19 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1m4p h PRO 81 CO 0.49 1.17 0.00 0.66 -0.23 0.00 0.00 178.00 180.08 1m4p n TYR 82 N -3.82 0.00 0.00 1.56 4.01 -1.26 -4.98 117.16 112.66 1m4p n TYR 82 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1m4p n TYR 82 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.84 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1m4p n ASN 83 N -0.09 0.00 -4.64 7.72 5.15 -1.26 -4.88 115.26 117.26 1m4p n ASN 83 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1m4p n ASN 83 Cb 0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.28 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1m4p s PRO 84 N 0.00 3.96 1.12 1.20 0.04 -1.26 -4.56 135.00 135.50 1m4p s PRO 84 Ca 0.00 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1m4p s PRO 84 Cb 0.00 -3.88 0.27 0.00 0.04 0.00 0.00 34.50 30.93 1m4p s PRO 84 CO 0.00 -1.07 1.24 -1.25 0.04 0.00 0.00 177.00 175.96 1m4p s PRO 85 N 4.11 -0.63 -0.02 0.56 0.04 -1.23 -3.22 135.00 134.61 1m4p s PRO 85 Ca 0.58 -0.37 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 1m4p s PRO 85 Cb -0.18 -1.69 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1m4p s PRO 85 CO 0.22 -3.26 1.60 0.42 0.04 0.00 0.00 177.00 176.02 1m4p s ILE 86 N -3.50 3.51 -0.28 0.56 1.01 -1.23 -4.88 121.20 116.41 1m4p s ILE 86 Ca 0.75 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 62.12 1m4p s ILE 86 Cb -0.05 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.97 1m4p s ILE 86 CO 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 174.94 175.44 1m4p s PHE 88 N 1.34 -0.19 0.38 0.00 -0.71 -0.31 -3.73 117.98 114.76 1m4p s PHE 88 Ca -0.01 0.49 -0.22 0.00 -1.04 0.00 0.00 56.93 56.15 1m4p s PHE 88 Cb -0.18 0.01 -0.10 0.00 -1.21 0.00 0.00 43.02 41.54 1m4p s PHE 88 CO -0.02 -0.13 0.93 0.54 -1.34 0.00 0.00 175.22 175.20 1m4p s VAL 89 N 0.60 4.37 -0.50 -2.49 0.11 0.16 -1.21 120.40 121.42 1m4p s VAL 89 Ca -0.04 1.54 0.03 0.00 -2.93 0.00 0.00 61.98 60.58 1m4p s VAL 89 Cb -0.06 -3.73 0.13 0.00 -1.53 0.00 0.00 36.38 31.20 1m4p s VAL 89 CO -0.03 -0.16 0.26 -0.54 -3.33 0.00 0.00 175.10 171.30 1m4p s LYS 90 N -2.80 1.80 0.69 1.54 -0.14 -1.26 -4.73 119.74 114.83 1m4p s LYS 90 Ca 0.57 -2.47 -0.11 0.00 -1.36 0.00 0.00 55.97 52.60 1m4p s LYS 90 Cb -0.12 -3.04 0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1m4p s LYS 90 CO 0.17 -1.13 1.06 -1.25 -0.76 0.00 0.00 175.35 173.44 1m4p s PRO 91 N -0.15 2.95 0.00 -1.68 0.04 -1.26 -4.52 135.00 130.38 1m4p s PRO 91 Ca 0.17 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1m4p s PRO 91 Cb -0.25 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1m4p s PRO 91 CO -0.00 -1.09 0.00 0.25 0.04 0.00 0.00 177.00 176.20 1m4p n THR 92 N -3.08 0.00 -0.02 1.26 -2.24 -1.26 -5.03 114.28 103.91 1m4p n THR 92 Ca 0.08 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1m4p n THR 92 Cb 0.53 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1m4p n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m4p n SER 93 N 0.00 2.12 0.00 3.42 2.88 -1.26 -4.59 113.62 116.19 1m4p n SER 93 Ca 0.00 0.01 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 1m4p n SER 93 Cb 0.00 -0.10 0.44 0.00 -0.75 0.00 0.00 64.21 63.80 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1m4p n SER 94 N -2.90 0.00 -4.08 -3.46 2.88 -1.26 -4.78 113.62 100.02 1m4p n SER 94 Ca -0.08 0.47 -0.29 0.00 -1.33 0.00 0.00 58.87 57.63 1m4p n SER 94 Cb 0.58 -0.49 0.19 0.00 -0.75 0.00 0.00 64.21 63.74 1m4p n SER 94 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1m4p s MET 95 N -2.97 0.55 -0.22 -1.46 1.00 -1.26 -4.44 119.30 110.50 1m4p s MET 95 Ca 0.11 -0.56 -0.10 0.00 0.00 0.00 0.00 55.69 55.13 1m4p s MET 95 Cb 0.13 -1.88 0.08 0.00 0.00 0.00 0.00 34.83 33.16 1m4p s MET 95 CO 0.37 -2.44 0.51 -0.08 0.00 0.00 0.00 175.02 173.38 1m4p s THR 96 N -3.86 -0.26 0.59 2.05 -1.32 -1.24 -4.93 115.64 106.66 1m4p s THR 96 Ca 0.75 0.08 -0.18 0.00 -1.21 0.00 0.00 61.69 61.12 1m4p s THR 96 Cb -0.03 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 1m4p s THR 96 CO 0.53 0.03 1.18 -0.63 -2.21 0.00 0.00 174.62 173.52 1m4p s ILE 97 N 1.89 2.82 -0.69 5.08 1.01 -1.26 -3.46 121.20 126.59 1m4p s ILE 97 Ca -0.08 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.11 1m4p s ILE 97 Cb -0.09 -3.17 0.17 0.00 0.01 0.00 0.00 42.46 39.38 1m4p s ILE 97 CO -0.15 -0.13 0.48 -0.75 0.00 0.00 0.00 174.94 174.39 1m4p s LYS 98 N -3.41 2.44 0.34 2.79 2.36 -1.01 -4.91 119.74 118.35 1m4p s LYS 98 Ca 0.75 -3.24 -0.29 0.00 -2.55 0.00 0.00 55.97 50.64 1m4p s LYS 98 Cb -0.28 -3.44 -0.11 0.00 -1.05 0.00 0.00 37.83 32.95 1m4p s LYS 98 CO 0.33 -1.26 1.47 0.95 1.55 0.00 0.00 175.35 178.39 1m4p s THR 99 N -1.28 2.21 0.00 3.43 -4.23 -1.26 -4.38 115.64 110.14 1m4p s THR 99 Ca 0.24 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 1m4p s THR 99 Cb -0.08 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1m4p s THR 99 CO -0.14 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1m4p n GLY 100 N 0.97 -0.95 1.99 3.99 0.00 -0.52 -4.93 105.19 105.73 1m4p n GLY 100 Ca 0.03 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1m4p n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4p n LYS 101 N 0.00 2.05 0.11 1.61 5.02 -1.26 -4.17 118.16 121.51 1m4p n LYS 101 Ca 0.00 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.13 1m4p n LYS 101 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1m4p n HIS 102 N -0.29 -2.48 -4.20 2.13 8.25 -1.26 -4.72 115.22 112.66 1m4p n HIS 102 Ca 0.42 0.56 -0.28 0.00 -0.26 0.00 0.00 57.72 58.15 1m4p n HIS 102 Cb 0.83 1.42 -0.09 0.00 1.12 0.00 0.00 29.99 33.27 1m4p n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4p s VAL 103 N -2.00 3.64 -0.07 1.59 1.01 -1.26 0.48 120.40 123.78 1m4p s VAL 103 Ca 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 60.64 1m4p s VAL 103 Cb 0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1m4p s VAL 103 CO 0.00 0.01 -0.10 -0.67 0.00 0.00 0.00 175.10 174.34 1m4p n ASP 104 N 0.32 0.90 0.00 3.32 4.64 -1.17 -1.44 116.55 123.12 1m4p n ASP 104 Ca -0.11 0.40 0.00 0.00 -1.38 0.00 0.00 54.79 53.69 1m4p n ASP 104 Cb 0.53 -0.67 0.00 0.00 -1.04 0.00 0.00 41.12 39.94 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1m4p n ALA 105 N -3.02 0.00 0.54 -1.67 0.00 -1.26 -4.59 120.51 110.51 1m4p n ALA 105 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1m4p n ALA 105 Cb 0.15 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.93 1m4p n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1m4p n ASN 106 N 0.00 0.00 0.00 0.00 2.85 -1.26 -4.81 115.26 112.04 1m4p n ASN 106 Ca 0.00 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.93 1m4p n ASN 106 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1m4p n GLY 107 N 0.05 0.83 3.79 8.20 0.00 -1.26 -4.90 105.19 111.90 1m4p n GLY 107 Ca 0.04 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1m4p n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4p s LYS 108 N -0.57 3.13 0.39 1.61 0.00 -1.26 0.36 119.74 123.41 1m4p s LYS 108 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 55.97 55.27 1m4p s LYS 108 Cb 0.00 -2.91 -0.10 0.00 0.00 0.00 0.00 37.83 34.83 1m4p s LYS 108 CO 0.00 0.67 1.38 0.42 0.00 0.00 0.00 175.35 177.82 1m4p s ILE 109 N -1.17 2.35 -0.20 3.79 1.01 -1.24 -3.02 121.20 122.72 1m4p s ILE 109 Ca 0.22 0.34 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 1m4p s ILE 109 Cb -0.12 -3.21 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 1m4p s ILE 109 CO 0.13 0.06 -0.14 0.00 0.00 0.00 0.00 174.94 174.99 1m4p n TYR 110 N 0.28 0.54 -1.71 3.97 9.36 0.18 -4.88 117.16 124.91 1m4p n TYR 110 Ca 0.02 0.23 -0.64 0.00 3.32 0.00 0.00 57.90 60.84 1m4p n TYR 110 Cb 0.42 -0.88 -0.09 0.00 -0.63 0.00 0.00 39.34 38.16 1m4p n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1m4p n LEU 111 N -4.44 1.57 -2.50 2.98 4.77 -1.26 -4.72 117.00 113.41 1m4p n LEU 111 Ca -0.28 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.66 1m4p n LEU 111 Cb 0.60 -0.97 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1m4p n LEU 111 CO 0.13 -0.71 1.84 -0.81 -1.33 0.00 0.00 177.39 176.51 1m4p n PRO 112 N 4.67 1.93 -0.21 3.23 -0.04 -1.26 -4.45 135.00 138.87 1m4p n PRO 112 Ca 0.31 -1.09 -0.07 0.00 -0.04 0.00 0.00 63.50 62.60 1m4p n PRO 112 Cb 0.00 -2.12 0.06 0.00 -0.04 0.00 0.00 33.50 31.41 1m4p n PRO 112 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1m4p h TYR 113 N 4.43 1.13 -0.68 0.54 -0.00 -1.98 -2.28 116.97 118.12 1m4p h TYR 113 Ca 0.32 -0.16 0.09 0.00 0.00 0.00 0.00 58.73 58.98 1m4p h TYR 113 Cb 0.83 -0.31 -0.04 0.00 0.00 0.00 0.00 36.73 37.20 1m4p h TYR 113 CO 1.71 0.96 0.45 1.37 -0.00 0.00 0.00 178.16 182.64 1m4p h LEU 114 N 0.99 0.52 -3.86 0.10 8.10 -1.98 0.34 115.31 119.51 1m4p h LEU 114 Ca 0.19 0.01 -0.44 0.00 0.11 0.00 0.00 57.88 57.75 1m4p h LEU 114 Cb 0.45 -0.10 -0.26 0.00 -0.44 0.00 0.00 40.66 40.31 1m4p h LEU 114 CO 0.02 0.32 0.56 1.57 -4.11 0.00 0.00 178.44 176.79 1m4p n HIS 115 N -4.48 2.84 0.00 0.17 -0.00 -0.89 -4.17 115.22 108.69 1m4p n HIS 115 Ca 0.11 -1.67 0.00 0.00 0.46 0.00 0.00 57.72 56.62 1m4p n HIS 115 Cb 0.32 -0.87 0.00 0.00 -0.12 0.00 0.00 29.99 29.32 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4p n GLU 116 N -0.90 0.00 0.00 1.57 2.13 0.11 -4.97 120.64 118.59 1m4p n GLU 116 Ca 0.54 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1m4p n GLU 116 Cb 1.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 33.29 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4p n TRP 117 N -1.98 0.00 -4.02 4.31 -0.00 -0.94 -4.78 117.44 110.04 1m4p n TRP 117 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 1m4p n TRP 117 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 1m4p n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4p n LYS 118 N -0.50 -0.81 -0.21 5.87 4.81 -1.26 -4.74 118.16 121.33 1m4p n LYS 118 Ca 0.00 0.11 -0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1m4p n LYS 118 Cb 0.00 -3.67 0.11 0.00 0.02 0.00 0.00 35.03 31.49 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4p h HIS 119 N -0.86 0.47 -0.00 5.64 2.76 -1.94 -3.46 115.15 117.75 1m4p h HIS 119 Ca -0.51 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1m4p h HIS 119 Cb 1.15 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.99 1m4p h HIS 119 CO 0.55 0.15 -0.02 -1.00 -1.30 0.00 0.00 177.93 176.31 1m4p h PRO 120 N 0.47 0.01 0.00 5.26 0.13 -1.90 -3.50 132.00 132.48 1m4p h PRO 120 Ca 0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1m4p h PRO 120 Cb 0.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1m4p h PRO 120 CO -0.27 0.76 0.00 0.94 -0.23 0.00 0.00 178.00 179.20 1m4p n GLN 121 N -4.71 0.00 -0.92 0.86 -0.06 -1.26 -4.82 117.38 106.47 1m4p n GLN 121 Ca -0.09 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.56 1m4p n GLN 121 Cb 0.38 0.00 0.07 0.00 -4.06 0.00 0.00 30.24 26.63 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4p n SER 122 N 0.67 -4.32 -4.39 1.69 2.88 -1.26 -5.01 113.62 103.88 1m4p n SER 122 Ca 0.00 0.19 -0.25 0.00 -1.33 0.00 0.00 58.87 57.49 1m4p n SER 122 Cb 0.00 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 62.48 1m4p n SER 122 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1m4p s ASP 123 N -1.37 2.82 0.34 -3.46 1.47 -1.26 -4.97 116.67 110.25 1m4p s ASP 123 Ca 0.46 -1.51 0.11 0.00 1.18 0.00 0.00 52.55 52.79 1m4p s ASP 123 Cb -0.16 0.15 0.89 0.00 -0.34 0.00 0.00 42.92 43.46 1m4p s ASP 123 CO 0.76 -0.73 1.78 0.25 0.68 0.00 0.00 175.17 177.91 1m4p h LEU 124 N 1.89 0.65 0.63 2.11 5.85 -1.95 0.54 115.31 125.04 1m4p h LEU 124 Ca -0.40 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1m4p h LEU 124 Cb 1.26 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.28 1m4p h LEU 124 CO 0.67 0.20 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.60 1m4p h LEU 125 N 0.61 -0.72 -0.70 2.25 4.07 -1.95 -2.27 115.31 116.60 1m4p h LEU 125 Ca 0.57 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.59 1m4p h LEU 125 Cb 1.11 0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.98 1m4p h LEU 125 CO -0.34 -0.47 0.42 1.23 -1.08 0.00 0.00 178.44 178.19 1m4p h GLY 126 N -0.90 1.03 -0.14 0.83 0.00 -1.44 0.87 103.07 103.32 1m4p h GLY 126 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 47.33 46.97 1m4p h GLY 126 CO 0.14 0.21 -0.30 -2.00 0.00 0.00 0.00 176.54 174.59 1m4p h LEU 127 N 0.78 -0.99 -1.92 3.11 6.46 0.18 0.44 115.31 123.37 1m4p h LEU 127 Ca 0.30 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 58.21 1m4p h LEU 127 Cb 0.13 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1m4p h LEU 127 CO -0.16 -0.25 0.11 0.40 -0.62 0.00 0.00 178.44 177.93 1m4p h ILE 128 N -0.27 0.98 -0.66 4.05 2.04 -1.19 -0.99 117.51 121.46 1m4p h ILE 128 Ca 0.03 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.88 1m4p h ILE 128 Cb 0.35 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1m4p h ILE 128 CO -0.28 0.02 0.41 -0.61 0.00 0.00 0.00 178.15 177.69 1m4p h GLN 129 N 0.11 0.78 -0.55 2.37 4.15 0.20 0.53 115.11 122.70 1m4p h GLN 129 Ca 0.07 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1m4p h GLN 129 Cb 0.15 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1m4p h GLN 129 CO -0.01 0.52 0.13 0.28 -1.93 0.00 0.00 178.83 177.82 1m4p h VAL 130 N 0.80 1.25 -0.16 2.39 2.07 0.10 -2.20 116.25 120.50 1m4p h VAL 130 Ca 0.26 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1m4p h VAL 130 Cb 0.01 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1m4p h VAL 130 CO -0.10 0.32 -0.26 -0.03 0.02 0.00 0.00 177.57 177.52 1m4p h MET 131 N 0.78 0.30 -0.51 1.57 1.85 -0.93 0.04 114.93 118.03 1m4p h MET 131 Ca 0.17 -0.11 -0.06 0.00 -0.61 0.00 0.00 59.70 59.10 1m4p h MET 131 Cb 0.35 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.33 1m4p h MET 131 CO 0.00 0.55 0.09 0.82 -0.40 0.00 0.00 176.91 177.97 1m4p h ILE 132 N 0.27 1.23 0.04 1.77 2.04 0.50 1.10 117.51 124.46 1m4p h ILE 132 Ca 0.04 -0.86 -0.23 0.00 1.00 0.00 0.00 64.86 64.81 1m4p h ILE 132 Cb 0.61 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1m4p h ILE 132 CO 0.04 0.32 -1.01 0.58 0.00 0.00 0.00 178.15 178.08 1m4p h VAL 133 N 0.77 1.49 0.03 1.67 2.07 -0.93 0.48 116.25 121.82 1m4p h VAL 133 Ca 0.16 -2.77 -0.00 0.00 0.82 0.00 0.00 66.70 64.92 1m4p h VAL 133 Cb 0.34 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1m4p h VAL 133 CO 0.00 0.81 -0.01 0.58 0.02 0.00 0.00 177.57 178.97 1m4p h VAL 134 N 0.12 1.37 -0.31 2.57 2.07 -0.42 -2.99 116.25 118.67 1m4p h VAL 134 Ca -0.08 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1m4p h VAL 134 Cb 1.68 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1m4p h VAL 134 CO 0.16 0.33 0.00 0.49 0.02 0.00 0.00 177.57 178.57 1m4p n PHE 135 N -4.83 1.08 0.19 1.57 3.01 0.38 -3.53 117.46 115.32 1m4p n PHE 135 Ca -0.09 -0.38 0.03 0.00 1.01 0.00 0.00 57.45 58.02 1m4p n PHE 135 Cb 0.29 -0.30 -0.04 0.00 -0.01 0.00 0.00 39.48 39.41 1m4p n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m4p n GLY 136 N 0.38 0.19 0.07 1.37 0.00 0.16 -4.72 105.19 102.64 1m4p n GLY 136 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1m4p n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m4p n ASP 137 N -1.34 1.70 -4.92 1.61 2.03 -1.14 -4.41 116.55 110.09 1m4p n ASP 137 Ca 0.00 0.43 -0.22 0.00 0.52 0.00 0.00 54.79 55.53 1m4p n ASP 137 Cb 0.12 -0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 39.72 1m4p n ASP 137 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1m4p s GLU 138 N -2.47 3.28 -0.33 -0.67 2.02 -1.25 -4.99 118.70 114.29 1m4p s GLU 138 Ca -0.21 -0.84 -0.29 0.00 0.02 0.00 0.00 54.97 53.65 1m4p s GLU 138 Cb 0.03 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1m4p s GLU 138 CO 0.31 0.43 1.36 -1.25 0.02 0.00 0.00 175.26 176.13 1m4p s PRO 139 N -3.89 3.80 0.25 0.39 0.04 -1.26 -4.67 135.00 129.66 1m4p s PRO 139 Ca 0.34 1.18 0.12 0.00 0.04 0.00 0.00 61.00 62.68 1m4p s PRO 139 Cb -0.09 -3.94 0.24 0.00 0.04 0.00 0.00 34.50 30.76 1m4p s PRO 139 CO 0.28 -1.28 1.53 -1.00 0.04 0.00 0.00 177.00 176.57 1m4p h PRO 140 N 9.87 0.00 0.00 0.56 0.13 -1.89 -3.41 132.00 137.25 1m4p h PRO 140 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 1m4p h PRO 140 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.66 -0.15 1.55 -0.23 0.00 0.00 178.00 180.88 1m4p n VAL 141 N -3.57 0.00 -1.73 1.56 3.14 -1.26 -2.40 118.33 114.07 1m4p n VAL 141 Ca -0.00 -0.99 -0.42 0.00 -2.96 0.00 0.00 64.34 59.97 1m4p n VAL 141 Cb 0.69 1.25 0.00 0.00 -1.06 0.00 0.00 33.84 34.72 1m4p n VAL 141 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1m4p n PHE 142 N 0.60 2.50 -3.28 1.45 -1.74 -1.23 -4.30 117.46 111.47 1m4p n PHE 142 Ca -0.00 0.50 -0.20 0.00 -0.56 0.00 0.00 57.45 57.19 1m4p n PHE 142 Cb 0.73 -2.45 0.02 0.00 1.52 0.00 0.00 39.48 39.30 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1m4p s SER 143 N -0.32 5.17 0.58 5.98 0.15 -1.26 -3.72 113.70 120.29 1m4p s SER 143 Ca 0.56 -0.77 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 1m4p s SER 143 Cb -0.52 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.61 1m4p s SER 143 CO 0.61 -0.99 1.26 0.00 1.20 0.00 0.00 173.24 175.33 1m4p s ARG 144 N -4.40 2.97 0.00 5.44 1.04 -1.26 -5.04 118.95 117.71 1m4p s ARG 144 Ca 0.52 1.98 0.24 0.00 -1.04 0.00 0.00 55.73 57.44 1m4p s ARG 144 Cb -0.06 -2.03 1.43 0.00 -2.04 0.00 0.00 34.95 32.26 1m4p s ARG 144 CO 0.32 -1.25 1.80 -0.35 -0.04 0.00 0.00 175.30 175.78