#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 0.32 0.28 0.00 3.14 -1.26 -4.38 118.33 116.44 1m4p n VAL 3 Ca 0.00 -0.39 0.18 0.00 -2.96 0.00 0.00 64.34 61.17 1m4p n VAL 3 Cb 0.00 -0.13 0.95 0.00 -1.06 0.00 0.00 33.84 33.60 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4p h SER 4 N 0.00 0.00 -1.67 6.55 0.87 -2.00 -2.25 113.55 115.05 1m4p h SER 4 Ca -0.13 0.00 0.49 0.00 -1.23 0.00 0.00 61.79 60.92 1m4p h SER 4 Cb 1.05 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.94 1m4p h SER 4 CO 0.01 0.00 1.30 -1.84 -0.53 0.00 0.00 176.83 175.77 1m4p n GLU 5 N -3.35 0.00 0.09 2.24 0.28 -1.26 0.24 120.64 118.87 1m4p n GLU 5 Ca -0.01 1.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.87 1m4p n GLU 5 Cb 0.26 -2.35 -0.08 0.00 1.43 0.00 0.00 31.44 30.69 1m4p n GLU 5 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1m4p h SER 6 N 0.00 -0.22 1.45 -1.84 0.87 -1.76 -2.26 113.55 109.80 1m4p h SER 6 Ca 0.80 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.96 1m4p h SER 6 Cb 3.39 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 65.39 1m4p h SER 6 CO -0.01 0.21 -0.53 -0.61 -0.53 0.00 0.00 176.83 175.35 1m4p h GLN 7 N -0.69 0.00 -0.36 2.24 5.75 0.18 -3.17 115.11 119.06 1m4p h GLN 7 Ca -0.03 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1m4p h GLN 7 Cb 0.49 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1m4p h GLN 7 CO 0.04 0.53 0.05 1.25 -2.65 0.00 0.00 178.83 178.06 1m4p h LEU 8 N 0.00 0.50 -0.67 -2.39 7.12 0.30 0.80 115.31 120.97 1m4p h LEU 8 Ca -0.01 -0.08 -0.13 0.00 0.13 0.00 0.00 57.88 57.79 1m4p h LEU 8 Cb 1.40 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.38 1m4p h LEU 8 CO 0.07 0.53 -0.64 0.50 -0.13 0.00 0.00 178.44 178.77 1m4p h LYS 9 N 0.52 0.00 0.00 1.25 3.64 -1.38 -2.80 116.57 117.80 1m4p h LYS 9 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1m4p h LYS 9 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1m4p h LYS 9 CO 0.00 0.64 -0.59 -0.22 -2.27 0.00 0.00 179.45 177.02 1m4p h LYS 10 N 0.00 0.00 0.00 1.90 3.64 -1.20 -3.07 116.57 117.84 1m4p h LYS 10 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1m4p h LYS 10 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1m4p h LYS 10 CO 0.08 0.12 0.00 -1.33 -2.27 0.00 0.00 179.45 176.06 1m4p n MET 11 N -2.96 0.12 0.00 1.90 2.81 0.27 -4.34 117.12 114.92 1m4p n MET 11 Ca 0.01 0.43 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1m4p n MET 11 Cb 0.61 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 -2.00 0.00 0.00 2.03 0.24 -1.21 -4.80 118.33 112.58 1m4p n VAL 12 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1m4p n VAL 12 Cb 0.16 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 1m4p n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4p n SER 13 N 0.00 0.00 -2.75 -1.34 2.88 -1.16 -4.37 113.62 106.88 1m4p n SER 13 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1m4p n SER 13 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1m4p n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1m4p n LYS 14 N 0.00 3.07 -4.64 -1.46 4.81 -1.26 -4.85 118.16 113.83 1m4p n LYS 14 Ca 0.00 -2.30 -0.28 0.00 -0.87 0.00 0.00 58.31 54.86 1m4p n LYS 14 Cb 0.00 -2.33 -0.17 0.00 0.02 0.00 0.00 35.03 32.55 1m4p n LYS 14 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1m4p s TYR 15 N -0.37 1.90 0.14 5.64 1.51 -1.26 -5.01 117.35 119.90 1m4p s TYR 15 Ca 0.61 -0.81 -0.27 0.00 -1.01 0.00 0.00 57.07 55.59 1m4p s TYR 15 Cb 0.29 -1.35 -0.06 0.00 -0.11 0.00 0.00 41.96 40.72 1m4p s TYR 15 CO -0.11 -0.40 1.46 1.17 -1.11 0.00 0.00 175.55 176.56 1m4p n LYS 16 N 3.94 -0.38 -2.41 -0.62 0.00 -1.26 -0.88 118.16 116.55 1m4p n LYS 16 Ca -0.20 1.44 -0.37 0.00 0.00 0.00 0.00 58.31 59.17 1m4p n LYS 16 Cb 0.52 -2.11 0.02 0.00 0.00 0.00 0.00 35.03 33.45 1m4p n LYS 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1m4p n TYR 17 N -4.94 3.10 -0.35 5.64 4.01 -1.26 -4.78 117.16 118.58 1m4p n TYR 17 Ca 0.02 -2.74 0.12 0.00 -0.16 0.00 0.00 57.90 55.13 1m4p n TYR 17 Cb 0.22 -0.96 0.30 0.00 -0.31 0.00 0.00 39.34 38.59 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 3.41 0.74 0.39 -0.72 2.43 -1.34 1.56 114.38 120.85 1m4p h ARG 18 Ca 0.47 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.57 1m4p h ARG 18 Cb 0.31 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1m4p h ARG 18 CO 1.18 0.49 -0.19 0.22 -1.51 0.00 0.00 179.97 180.17 1m4p h ASP 19 N 0.77 -0.44 -0.99 -3.80 1.82 -1.86 0.63 116.42 112.55 1m4p h ASP 19 Ca 0.56 -0.10 0.16 0.00 -0.39 0.00 0.00 57.03 57.25 1m4p h ASP 19 Cb 0.82 0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.85 1m4p h ASP 19 CO -0.37 -0.00 0.62 0.25 -1.61 0.00 0.00 179.24 178.13 1m4p h LEU 20 N -1.03 0.82 0.26 2.28 5.85 -1.76 0.34 115.31 122.07 1m4p h LEU 20 Ca -0.05 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1m4p h LEU 20 Cb 0.51 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1m4p h LEU 20 CO 0.09 0.37 -0.12 0.74 -0.34 0.00 0.00 178.44 179.17 1m4p h THR 21 N 0.84 0.67 -1.01 1.05 2.02 0.22 0.15 112.91 116.86 1m4p h THR 21 Ca 0.53 -0.84 0.23 0.00 0.77 0.00 0.00 66.41 67.10 1m4p h THR 21 Cb 0.72 1.06 -0.11 0.00 -1.74 0.00 0.00 68.15 68.09 1m4p h THR 21 CO -0.31 0.15 0.62 0.58 0.37 0.00 0.00 175.52 176.93 1m4p h VAL 22 N -0.86 0.59 -0.11 3.16 2.07 0.10 1.07 116.25 122.27 1m4p h VAL 22 Ca -0.04 -0.20 -0.23 0.00 0.82 0.00 0.00 66.70 67.06 1m4p h VAL 22 Cb 0.51 -0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1m4p h VAL 22 CO 0.06 0.11 -0.83 -0.09 0.02 0.00 0.00 177.57 176.84 1m4p h ARG 23 N 0.58 0.72 -0.52 1.57 2.43 -0.30 -1.49 114.38 117.36 1m4p h ARG 23 Ca 0.60 -0.62 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1m4p h ARG 23 Cb 1.20 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.87 1m4p h ARG 23 CO -0.38 1.23 0.03 0.93 -1.51 0.00 0.00 179.97 180.27 1m4p h GLU 24 N 0.47 0.90 0.68 0.20 3.07 0.27 0.38 114.58 120.55 1m4p h GLU 24 Ca -0.06 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.49 1m4p h GLU 24 Cb 1.46 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 29.28 1m4p h GLU 24 CO 0.16 0.91 -0.32 1.15 -1.40 0.00 0.00 179.01 179.51 1m4p h THR 25 N 0.78 0.07 -0.94 1.13 2.02 0.93 -1.48 112.91 115.42 1m4p h THR 25 Ca 0.15 -0.32 0.09 0.00 0.77 0.00 0.00 66.41 67.10 1m4p h THR 25 Cb 0.49 0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 1m4p h THR 25 CO 0.02 0.01 0.58 -0.37 0.37 0.00 0.00 175.52 176.13 1m4p h VAL 26 N -1.21 0.98 -0.48 3.16 -1.51 -1.30 -0.58 116.25 115.33 1m4p h VAL 26 Ca -0.09 -0.34 0.07 0.00 -1.23 0.00 0.00 66.70 65.11 1m4p h VAL 26 Cb 0.71 -0.10 -0.06 0.00 -2.13 0.00 0.00 31.29 29.72 1m4p h VAL 26 CO 0.15 0.18 0.13 0.78 -1.23 0.00 0.00 177.57 177.58 1m4p h ASN 27 N 0.99 0.08 0.09 4.19 4.21 -0.18 1.33 115.58 126.28 1m4p h ASN 27 Ca 0.44 0.07 -0.00 0.00 1.21 0.00 0.00 56.30 58.01 1m4p h ASN 27 Cb 0.32 0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1m4p h ASN 27 CO -0.22 0.07 -0.07 0.58 -1.29 0.00 0.00 177.43 176.50 1m4p h VAL 28 N 0.28 0.00 -0.53 2.81 2.07 -0.02 0.99 116.25 121.85 1m4p h VAL 28 Ca 0.23 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.91 1m4p h VAL 28 Cb 0.28 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1m4p h VAL 28 CO -0.27 0.00 0.47 0.16 0.02 0.00 0.00 177.57 177.95 1m4p h ILE 29 N -0.16 0.48 -0.00 4.57 3.07 -1.19 1.12 117.51 125.40 1m4p h ILE 29 Ca -0.01 0.00 -0.16 0.00 1.55 0.00 0.00 64.86 66.24 1m4p h ILE 29 Cb 0.13 0.64 -0.02 0.00 -0.27 0.00 0.00 36.82 37.30 1m4p h ILE 29 CO -0.00 0.00 -0.75 0.74 -1.05 0.00 0.00 178.15 177.09 1m4p h THR 30 N 0.00 1.53 0.06 0.16 2.02 0.28 0.48 112.91 117.43 1m4p h THR 30 Ca 0.25 -2.55 -0.20 0.00 0.77 0.00 0.00 66.41 64.68 1m4p h THR 30 Cb 1.20 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.98 1m4p h THR 30 CO -0.00 0.73 -1.06 0.25 0.37 0.00 0.00 175.52 175.81 1m4p h LEU 31 N 0.01 0.20 0.00 2.58 6.46 0.87 -3.43 115.31 122.00 1m4p h LEU 31 Ca -0.01 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.96 1m4p h LEU 31 Cb 1.33 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.19 1m4p h LEU 31 CO 0.10 1.45 -0.13 -1.22 -0.62 0.00 0.00 178.44 178.02 1m4p n TYR 32 N -4.21 0.16 -0.62 1.25 4.01 0.27 -5.00 117.16 113.02 1m4p n TYR 32 Ca -0.23 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1m4p n TYR 32 Cb 0.75 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.79 0.00 -0.02 -0.72 4.81 0.17 -4.89 118.16 114.72 1m4p n LYS 33 Ca -0.02 0.09 0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1m4p n LYS 33 Cb 0.07 -2.05 -0.09 0.00 0.02 0.00 0.00 35.03 32.98 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 0.37 2.42 -4.34 3.14 8.00 -1.26 -5.01 116.55 119.87 1m4p n ASP 34 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 1m4p n ASP 34 Cb 0.00 1.32 0.18 0.00 -0.02 0.00 0.00 41.12 42.60 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4p s LEU 35 N -4.04 1.91 -0.23 0.64 2.96 -1.26 -3.54 118.68 115.12 1m4p s LEU 35 Ca -0.04 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.46 1m4p s LEU 35 Cb 0.06 -2.75 0.11 0.00 0.50 0.00 0.00 46.19 44.12 1m4p s LEU 35 CO 0.46 -2.98 0.46 -0.54 -1.32 0.00 0.00 176.35 172.42 1m4p s LYS 36 N -5.51 0.38 0.03 1.98 1.02 0.15 -4.90 119.74 112.89 1m4p s LYS 36 Ca 0.69 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 57.39 1m4p s LYS 36 Cb -0.10 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 1m4p s LYS 36 CO 0.54 -0.33 1.17 -1.25 -0.92 0.00 0.00 175.35 174.56 1m4p s PRO 37 N 2.66 4.43 0.17 -1.68 0.04 -1.26 -0.38 135.00 138.99 1m4p s PRO 37 Ca 0.01 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.80 1m4p s PRO 37 Cb -0.13 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1m4p s PRO 37 CO -0.15 -0.27 -0.04 0.54 0.04 0.00 0.00 177.00 177.12 1m4p s VAL 38 N 1.26 0.95 0.09 -0.36 0.11 0.36 -4.96 120.40 117.86 1m4p s VAL 38 Ca 0.57 -2.02 0.08 0.00 -2.93 0.00 0.00 61.98 57.69 1m4p s VAL 38 Cb -0.28 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.50 1m4p s VAL 38 CO 0.28 -0.57 -0.19 -0.22 -3.33 0.00 0.00 175.10 171.07 1m4p s LEU 39 N -3.19 2.63 0.06 2.54 1.98 -1.26 -0.28 118.68 121.16 1m4p s LEU 39 Ca 0.21 -0.52 -0.02 0.00 -2.89 0.00 0.00 54.13 50.91 1m4p s LEU 39 Cb 0.05 -1.51 -0.04 0.00 0.66 0.00 0.00 46.19 45.35 1m4p s LEU 39 CO 0.03 0.21 0.00 1.51 -1.89 0.00 0.00 176.35 176.21 1m4p s ASP 40 N -1.86 0.44 0.01 3.68 3.84 0.04 -4.90 116.67 117.92 1m4p s ASP 40 Ca 0.16 -0.97 0.03 0.00 -0.00 0.00 0.00 52.55 51.78 1m4p s ASP 40 Cb -0.10 0.22 -0.01 0.00 -1.38 0.00 0.00 42.92 41.64 1m4p s ASP 40 CO 0.08 -0.62 -0.09 -0.55 -0.00 0.00 0.00 175.17 173.99 1m4p s SER 41 N -2.92 1.07 -0.15 2.11 0.15 -1.26 -1.55 113.70 111.16 1m4p s SER 41 Ca 0.07 -0.28 -0.27 0.00 0.70 0.00 0.00 55.95 56.18 1m4p s SER 41 Cb 0.08 -0.08 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 1m4p s SER 41 CO -0.10 0.03 0.67 -0.47 1.20 0.00 0.00 173.24 174.58 1m4p s TYR 42 N -0.52 -0.68 0.27 3.44 6.14 -0.78 -4.88 117.35 120.33 1m4p s TYR 42 Ca 0.01 1.43 -0.29 0.00 0.64 0.00 0.00 57.07 58.85 1m4p s TYR 42 Cb -0.05 0.33 -0.09 0.00 0.42 0.00 0.00 41.96 42.56 1m4p s TYR 42 CO 0.00 -0.49 0.98 0.14 0.64 0.00 0.00 175.55 176.82 1m4p s VAL 43 N -0.47 3.96 0.20 3.14 -7.23 -1.26 0.15 120.40 118.89 1m4p s VAL 43 Ca -0.06 1.89 0.00 0.00 -1.81 0.00 0.00 61.98 62.00 1m4p s VAL 43 Cb -0.02 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.74 1m4p s VAL 43 CO 0.06 0.39 0.00 0.49 -0.31 0.00 0.00 175.10 175.73 1m4p n PHE 44 N 1.22 -2.33 -1.53 2.82 3.72 -0.78 -4.66 117.46 115.91 1m4p n PHE 44 Ca -0.01 0.51 -0.14 0.00 -0.05 0.00 0.00 57.45 57.76 1m4p n PHE 44 Cb 0.47 1.31 -0.10 0.00 -0.94 0.00 0.00 39.48 40.22 1m4p n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1m4p n ASN 45 N -3.03 1.18 -1.70 4.37 5.15 -1.24 -2.43 115.26 117.56 1m4p n ASN 45 Ca 0.00 -1.62 -0.10 0.00 -0.60 0.00 0.00 54.58 52.26 1m4p n ASN 45 Cb 0.00 -1.52 -0.03 0.00 -0.53 0.00 0.00 39.78 37.71 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1m4p n ASP 46 N 17.05 -2.88 -0.29 1.20 2.03 -1.26 -2.02 116.55 130.38 1m4p n ASP 46 Ca 0.46 0.25 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1m4p n ASP 46 Cb 0.41 -2.68 0.00 0.00 -0.72 0.00 0.00 41.12 38.12 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 -0.38 0.91 2.67 0.27 0.00 -1.02 -5.12 105.19 102.53 1m4p n GLY 47 Ca -0.11 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.18 1.41 0.23 1.61 0.15 -0.86 -4.79 113.70 109.27 1m4p s SER 48 Ca 0.00 -0.06 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 1m4p s SER 48 Cb 0.00 -0.20 -0.15 0.00 -1.71 0.00 0.00 66.02 63.96 1m4p s SER 48 CO 0.00 -0.26 0.36 -0.24 1.20 0.00 0.00 173.24 174.30 1m4p n SER 49 N 5.27 -1.54 -3.93 5.45 2.88 -1.26 -1.86 113.62 118.64 1m4p n SER 49 Ca -0.04 0.94 -0.14 0.00 -1.33 0.00 0.00 58.87 58.30 1m4p n SER 49 Cb 0.50 -0.84 -0.14 0.00 -0.75 0.00 0.00 64.21 62.97 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 -0.91 0.27 -0.37 -1.46 3.52 0.40 -4.79 118.95 115.61 1m4p s ARG 50 Ca 0.57 -0.12 -0.25 0.00 -0.13 0.00 0.00 55.73 55.80 1m4p s ARG 50 Cb -0.77 -0.26 0.01 0.00 -1.56 0.00 0.00 34.95 32.38 1m4p s ARG 50 CO 0.52 0.07 0.87 -2.00 -0.81 0.00 0.00 175.30 173.95 1m4p s GLU 51 N -0.09 3.80 0.00 5.12 2.12 -1.26 -1.86 118.70 126.53 1m4p s GLU 51 Ca 0.01 0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.84 1m4p s GLU 51 Cb -0.01 -3.81 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 1m4p s GLU 51 CO -0.00 -0.91 -0.09 -1.17 -0.54 0.00 0.00 175.26 172.55 1m4p s LEU 52 N 3.32 2.05 0.50 2.70 0.20 -0.59 -5.05 118.68 121.81 1m4p s LEU 52 Ca 0.35 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 54.91 1m4p s LEU 52 Cb -0.12 -0.45 -0.01 0.00 -0.43 0.00 0.00 46.19 45.17 1m4p s LEU 52 CO 0.18 0.07 0.77 -0.32 -0.29 0.00 0.00 176.35 176.77 1m4p s MET 53 N -0.42 3.21 -0.10 1.98 -2.45 -1.21 -0.78 119.30 119.53 1m4p s MET 53 Ca 0.02 -0.08 -0.30 0.00 -1.25 0.00 0.00 55.69 54.07 1m4p s MET 53 Cb -0.04 -2.41 0.09 0.00 1.25 0.00 0.00 34.83 33.72 1m4p s MET 53 CO -0.00 -0.35 0.80 0.54 1.05 0.00 0.00 175.02 177.06 1m4p s ASN 54 N -4.19 -0.55 0.29 1.11 4.22 0.62 -0.11 114.94 116.33 1m4p s ASN 54 Ca 0.49 0.62 0.09 0.00 -2.14 0.00 0.00 52.86 51.93 1m4p s ASN 54 Cb -0.10 0.48 -0.05 0.00 1.28 0.00 0.00 41.25 42.86 1m4p s ASN 54 CO 0.42 -0.50 0.01 -0.76 -2.04 0.00 0.00 177.10 174.24 1m4p s LEU 55 N -1.10 3.13 -0.20 3.54 1.43 0.85 0.14 118.68 126.47 1m4p s LEU 55 Ca -0.07 -0.75 -0.28 0.00 -1.03 0.00 0.00 54.13 52.00 1m4p s LEU 55 Cb -0.00 -1.62 0.11 0.00 0.03 0.00 0.00 46.19 44.71 1m4p s LEU 55 CO 0.06 -0.09 0.92 0.28 0.23 0.00 0.00 176.35 177.76 1m4p s THR 56 N -2.39 0.00 -4.98 5.49 -1.32 0.49 -1.88 115.64 111.06 1m4p s THR 56 Ca 0.33 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1m4p s THR 56 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1m4p s THR 56 CO 0.20 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.22 1m4p n GLY 57 N 1.53 -1.60 3.20 6.08 0.00 -1.14 0.30 105.19 113.56 1m4p n GLY 57 Ca -0.13 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.86 3.40 0.32 2.61 -4.23 -1.23 -0.36 115.64 113.29 1m4p s THR 58 Ca 0.00 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 1m4p s THR 58 Cb 0.00 -3.03 -0.09 0.00 1.34 0.00 0.00 72.50 70.71 1m4p s THR 58 CO 0.00 -0.28 0.76 0.27 -0.54 0.00 0.00 174.62 174.82 1m4p s ILE 59 N 1.29 4.64 -0.30 2.99 -4.36 0.18 -4.64 121.20 121.00 1m4p s ILE 59 Ca -0.01 1.03 -0.29 0.00 -0.26 0.00 0.00 60.65 61.13 1m4p s ILE 59 Cb -0.21 -3.63 -0.00 0.00 1.25 0.00 0.00 42.46 39.87 1m4p s ILE 59 CO -0.00 -0.16 1.35 -2.16 0.24 0.00 0.00 174.94 174.20 1m4p s PRO 60 N -2.91 3.88 -0.40 0.37 0.04 -1.26 -1.33 135.00 133.39 1m4p s PRO 60 Ca 0.54 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 62.80 1m4p s PRO 60 Cb -0.11 -3.91 0.09 0.00 0.04 0.00 0.00 34.50 30.61 1m4p s PRO 60 CO 0.17 -1.17 0.22 0.08 0.04 0.00 0.00 177.00 176.34 1m4p s VAL 61 N 4.55 3.81 0.56 -0.36 1.01 -0.92 -4.97 120.40 124.09 1m4p s VAL 61 Ca 0.59 -1.60 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 1m4p s VAL 61 Cb -0.18 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1m4p s VAL 61 CO 0.24 -0.52 1.05 -2.16 0.00 0.00 0.00 175.10 173.71 1m4p s PRO 62 N 1.32 3.49 -0.05 2.72 0.04 -1.26 -1.93 135.00 139.32 1m4p s PRO 62 Ca 0.04 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.37 1m4p s PRO 62 Cb -0.23 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.40 1m4p s PRO 62 CO -0.00 -0.67 1.07 0.66 0.04 0.00 0.00 177.00 178.09 1m4p n TYR 63 N -1.75 0.00 -2.14 0.56 4.02 0.87 -4.69 117.16 114.03 1m4p n TYR 63 Ca 0.09 -0.43 -0.02 0.00 -0.01 0.00 0.00 57.90 57.53 1m4p n TYR 63 Cb 0.53 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1m4p n TYR 63 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1m4p n ARG 64 N -0.51 -0.81 0.00 -0.72 1.74 -1.26 -4.64 116.66 110.46 1m4p n ARG 64 Ca 0.07 1.08 0.00 0.00 -0.77 0.00 0.00 57.85 58.22 1m4p n ARG 64 Cb 0.71 -3.35 0.00 0.00 -1.02 0.00 0.00 32.46 28.80 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4p n GLY 65 N -0.87 1.37 3.32 -0.13 0.00 -1.26 -5.08 105.19 102.53 1m4p n GLY 65 Ca 0.03 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1m4p n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m4p s ASN 66 N -0.43 -0.36 -0.19 1.61 0.01 -1.26 -5.15 114.94 109.18 1m4p s ASN 66 Ca 0.00 0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.60 1m4p s ASN 66 Cb 0.00 0.53 0.04 0.00 0.41 0.00 0.00 41.25 42.23 1m4p s ASN 66 CO 0.00 -0.38 -0.09 -0.89 -1.51 0.00 0.00 177.10 174.22 1m4p s THR 67 N -0.82 1.50 0.00 1.60 2.01 -1.26 -0.09 115.64 118.58 1m4p s THR 67 Ca -0.09 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.03 1m4p s THR 67 Cb -0.04 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.89 1m4p s THR 67 CO 0.04 0.18 0.00 -1.22 -0.69 0.00 0.00 174.62 172.93 1m4p n TYR 68 N 4.74 -2.87 -4.09 4.92 4.02 -0.81 -4.82 117.16 118.24 1m4p n TYR 68 Ca -0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.42 1m4p n TYR 68 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.64 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 3.75 -0.14 7.72 0.01 -1.26 -2.15 114.94 121.86 1m4p s ASN 69 Ca 0.00 -1.01 -0.01 0.00 -0.71 0.00 0.00 52.86 51.14 1m4p s ASN 69 Cb 0.00 -1.51 -0.01 0.00 0.41 0.00 0.00 41.25 40.14 1m4p s ASN 69 CO 0.00 -0.09 -0.11 -0.51 -1.51 0.00 0.00 177.10 174.88 1m4p s ILE 70 N 1.20 3.14 0.84 0.60 1.10 -0.44 -4.92 121.20 122.72 1m4p s ILE 70 Ca -0.02 -0.62 -0.12 0.00 -0.51 0.00 0.00 60.65 59.38 1m4p s ILE 70 Cb -0.16 -2.34 0.10 0.00 0.15 0.00 0.00 42.46 40.20 1m4p s ILE 70 CO -0.09 0.51 1.11 -2.16 -2.11 0.00 0.00 174.94 172.20 1m4p s PRO 71 N 0.51 1.72 0.24 3.50 0.04 -1.26 0.47 135.00 140.22 1m4p s PRO 71 Ca -0.08 0.51 -0.21 0.00 0.04 0.00 0.00 61.00 61.26 1m4p s PRO 71 Cb -0.15 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.56 1m4p s PRO 71 CO 0.04 -1.84 0.90 -1.50 0.04 0.00 0.00 177.00 174.64 1m4p s ILE 72 N -3.20 0.00 -0.30 0.56 2.07 0.52 -4.24 121.20 116.60 1m4p s ILE 72 Ca 0.62 -0.78 -0.16 0.00 -1.41 0.00 0.00 60.65 58.93 1m4p s ILE 72 Cb -0.15 -2.46 0.18 0.00 0.13 0.00 0.00 42.46 40.16 1m4p s ILE 72 CO 0.54 0.00 1.10 0.00 -1.91 0.00 0.00 174.94 174.66 1m4p s LEU 74 N 2.52 2.01 0.18 0.00 2.34 -0.79 -2.00 118.68 122.94 1m4p s LEU 74 Ca -0.01 -1.21 0.05 0.00 0.06 0.00 0.00 54.13 53.02 1m4p s LEU 74 Cb -0.06 -0.01 -0.04 0.00 -0.56 0.00 0.00 46.19 45.53 1m4p s LEU 74 CO -0.15 -0.61 0.20 0.26 -1.06 0.00 0.00 176.35 174.99 1m4p s TRP 75 N -3.71 3.24 -0.23 3.48 0.52 -0.21 -0.10 118.94 121.93 1m4p s TRP 75 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.38 1m4p s TRP 75 Cb 0.06 -1.53 0.06 0.00 -1.15 0.00 0.00 33.47 30.91 1m4p s TRP 75 CO 0.05 0.51 -0.05 -1.17 0.02 0.00 0.00 176.95 176.32 1m4p s LEU 76 N -3.34 2.43 0.00 2.99 2.96 0.85 -2.99 118.68 121.58 1m4p s LEU 76 Ca 0.32 -1.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.05 1m4p s LEU 76 Cb -0.10 -1.12 0.07 0.00 0.50 0.00 0.00 46.19 45.54 1m4p s LEU 76 CO 0.25 -0.24 0.45 -0.11 -1.32 0.00 0.00 176.35 175.38 1m4p n LEU 77 N 4.71 0.00 -0.07 -0.68 -0.00 -1.26 -3.31 117.00 116.39 1m4p n LEU 77 Ca -0.12 -0.57 -0.21 0.00 -0.00 0.00 0.00 56.01 55.11 1m4p n LEU 77 Cb 0.44 -0.33 -0.12 0.00 -0.00 0.00 0.00 43.42 43.41 1m4p n LEU 77 CO 0.17 -0.80 -0.44 -2.24 -0.00 0.00 0.00 177.39 174.08 1m4p h ASP 78 N -0.54 0.10 0.00 1.96 2.03 -1.92 -3.47 116.42 114.58 1m4p h ASP 78 Ca -0.15 -0.66 0.00 0.00 -0.73 0.00 0.00 57.03 55.50 1m4p h ASP 78 Cb 0.43 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1m4p h ASP 78 CO 0.11 1.50 0.00 1.07 -1.03 0.00 0.00 179.24 180.89 1m4p n THR 79 N -4.28 0.00 0.00 1.15 5.66 -1.26 -4.28 114.28 111.27 1m4p n THR 79 Ca -0.29 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1m4p n THR 79 Cb 0.73 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 1m4p n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1m4p n TYR 80 N 0.00 0.00 -1.52 1.09 4.19 -1.26 -4.41 117.16 115.25 1m4p n TYR 80 Ca 0.00 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.91 1m4p n TYR 80 Cb 0.00 0.00 0.21 0.00 0.49 0.00 0.00 39.34 40.04 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1m4p s PRO 81 N 0.00 -0.27 0.09 2.98 0.04 -1.26 -5.00 135.00 131.58 1m4p s PRO 81 Ca 0.00 -0.25 0.14 0.00 0.04 0.00 0.00 61.00 60.93 1m4p s PRO 81 Cb 0.00 -1.72 0.61 0.00 0.04 0.00 0.00 34.50 33.42 1m4p s PRO 81 CO 0.00 -3.05 1.43 0.66 0.04 0.00 0.00 177.00 176.08 1m4p n TYR 82 N -4.25 0.25 -3.54 0.56 4.01 -1.26 -4.68 117.16 108.25 1m4p n TYR 82 Ca 0.14 0.11 -0.19 0.00 -0.16 0.00 0.00 57.90 57.80 1m4p n TYR 82 Cb 0.59 -0.68 -0.01 0.00 -0.31 0.00 0.00 39.34 38.94 1m4p n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1m4p s ASN 83 N -3.38 6.02 -0.31 7.72 0.02 -1.26 -4.84 114.94 118.91 1m4p s ASN 83 Ca 0.04 -0.14 -0.29 0.00 -1.02 0.00 0.00 52.86 51.44 1m4p s ASN 83 Cb 0.07 -1.33 0.00 0.00 0.02 0.00 0.00 41.25 40.01 1m4p s ASN 83 CO 0.22 -0.38 1.36 -2.16 0.02 0.00 0.00 177.10 176.16 1m4p s PRO 84 N -4.15 3.83 0.42 -0.60 0.04 -1.26 -4.50 135.00 128.78 1m4p s PRO 84 Ca 0.43 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 1m4p s PRO 84 Cb -0.09 -3.93 0.10 0.00 0.04 0.00 0.00 34.50 30.62 1m4p s PRO 84 CO 0.31 -1.23 0.46 -0.35 0.04 0.00 0.00 177.00 176.22 1m4p n PRO 85 N 7.51 -1.14 -3.19 0.56 -0.04 -1.16 -4.67 135.00 132.88 1m4p n PRO 85 Ca 0.16 -0.72 -0.00 0.00 -0.04 0.00 0.00 63.50 62.89 1m4p n PRO 85 Cb 0.47 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 1m4p n PRO 85 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1m4p n ILE 86 N -3.04 -2.05 -4.74 0.52 5.41 -1.26 -2.17 119.36 112.03 1m4p n ILE 86 Ca 0.06 0.50 -0.33 0.00 1.00 0.00 0.00 62.75 63.98 1m4p n ILE 86 Cb 0.22 -3.02 -0.15 0.00 -0.71 0.00 0.00 39.64 35.98 1m4p n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4p s PHE 88 N 0.60 -0.46 0.27 0.00 -0.71 -0.85 -3.13 117.98 113.71 1m4p s PHE 88 Ca -0.10 0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 56.00 1m4p s PHE 88 Cb -0.16 0.56 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 1m4p s PHE 88 CO 0.03 -0.77 0.54 0.54 -1.34 0.00 0.00 175.22 174.22 1m4p s VAL 89 N -3.55 5.02 -0.66 -2.49 0.11 0.13 -1.12 120.40 117.85 1m4p s VAL 89 Ca 0.03 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1m4p s VAL 89 Cb -0.01 -3.71 0.17 0.00 -1.53 0.00 0.00 36.38 31.29 1m4p s VAL 89 CO -0.11 -0.27 0.46 -0.54 -3.33 0.00 0.00 175.10 171.32 1m4p s LYS 90 N -3.40 2.25 1.01 1.54 -0.14 -1.26 -4.73 119.74 115.01 1m4p s LYS 90 Ca 0.44 -3.15 -0.15 0.00 -1.36 0.00 0.00 55.97 51.75 1m4p s LYS 90 Cb -0.11 -3.18 0.20 0.00 -1.68 0.00 0.00 37.83 33.06 1m4p s LYS 90 CO 0.28 -1.28 1.19 -1.25 -0.76 0.00 0.00 175.35 173.53 1m4p s PRO 91 N -1.19 0.31 0.00 -1.68 0.04 -1.26 -4.41 135.00 126.80 1m4p s PRO 91 Ca 0.25 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.26 1m4p s PRO 91 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1m4p s PRO 91 CO -0.16 -2.70 0.00 0.25 0.04 0.00 0.00 177.00 174.44 1m4p n THR 92 N -4.05 0.00 -0.02 1.26 -2.24 -1.26 -5.07 114.28 102.90 1m4p n THR 92 Ca 0.11 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1m4p n THR 92 Cb 0.59 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1m4p n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1m4p n SER 93 N 0.00 2.30 0.12 3.42 7.64 -1.26 -4.60 113.62 121.24 1m4p n SER 93 Ca 0.00 0.01 0.12 0.00 1.01 0.00 0.00 58.87 60.01 1m4p n SER 93 Cb 0.00 -0.09 0.47 0.00 -1.01 0.00 0.00 64.21 63.57 1m4p n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1m4p n SER 94 N -2.86 0.70 -2.79 6.43 7.64 -1.26 -4.77 113.62 116.71 1m4p n SER 94 Ca -0.08 0.64 -0.11 0.00 1.01 0.00 0.00 58.87 60.32 1m4p n SER 94 Cb 0.57 -0.80 0.08 0.00 -1.01 0.00 0.00 64.21 63.06 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1m4p n MET 95 N -2.23 -0.87 -3.69 1.43 2.00 -1.26 -4.71 117.12 107.78 1m4p n MET 95 Ca 0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 57.70 56.86 1m4p n MET 95 Cb 0.29 -0.56 -0.10 0.00 0.00 0.00 0.00 33.22 32.84 1m4p n MET 95 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1m4p s THR 96 N -2.03 -0.02 0.65 2.03 -1.32 -1.26 -4.95 115.64 108.73 1m4p s THR 96 Ca 0.29 0.08 -0.10 0.00 -1.21 0.00 0.00 61.69 60.75 1m4p s THR 96 Cb -0.01 -0.65 -0.01 0.00 -1.51 0.00 0.00 72.50 70.32 1m4p s THR 96 CO 0.21 0.03 1.03 -0.63 -2.21 0.00 0.00 174.62 173.05 1m4p s ILE 97 N 1.42 4.01 -0.27 5.08 1.01 -1.26 -3.23 121.20 127.96 1m4p s ILE 97 Ca -0.10 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 1m4p s ILE 97 Cb -0.08 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.84 1m4p s ILE 97 CO -0.13 -0.79 0.06 -0.75 0.00 0.00 0.00 174.94 173.32 1m4p s LYS 98 N -5.21 0.87 0.21 2.79 2.36 -1.16 -4.88 119.74 114.73 1m4p s LYS 98 Ca 0.56 -0.92 -0.30 0.00 -2.55 0.00 0.00 55.97 52.76 1m4p s LYS 98 Cb -0.11 -2.16 -0.08 0.00 -1.05 0.00 0.00 37.83 34.43 1m4p s LYS 98 CO 0.51 -0.83 0.98 0.95 1.55 0.00 0.00 175.35 178.51 1m4p s THR 99 N 1.62 4.07 0.00 3.43 -4.23 -1.26 -4.40 115.64 114.86 1m4p s THR 99 Ca 0.04 1.97 0.00 0.00 -1.18 0.00 0.00 61.69 62.53 1m4p s THR 99 Cb -0.18 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.41 1m4p s THR 99 CO -0.17 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 1m4p n GLY 100 N 1.65 1.47 2.17 3.99 0.00 -0.87 -4.93 105.19 108.68 1m4p n GLY 100 Ca -0.01 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1m4p n GLY 100 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m4p n LYS 101 N 0.00 2.08 0.00 1.61 2.85 -1.26 -3.80 118.16 119.63 1m4p n LYS 101 Ca 0.00 -1.84 0.00 0.00 -1.05 0.00 0.00 58.31 55.42 1m4p n LYS 101 Cb 0.00 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1m4p n HIS 102 N 0.81 -1.17 -4.22 5.58 8.25 -1.26 -4.68 115.22 118.53 1m4p n HIS 102 Ca 0.39 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.60 1m4p n HIS 102 Cb 0.59 0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.86 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 -1.56 3.74 -0.14 1.59 1.01 -1.25 -0.55 120.40 123.24 1m4p s VAL 103 Ca 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 61.98 60.27 1m4p s VAL 103 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.39 1m4p s VAL 103 CO 0.00 -0.22 -0.29 -0.67 0.00 0.00 0.00 175.10 173.93 1m4p n ASP 104 N -0.48 1.76 0.00 3.32 2.03 -1.22 -2.05 116.55 119.90 1m4p n ASP 104 Ca -0.08 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1m4p n ASP 104 Cb 0.57 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m4p n ALA 105 N -4.24 0.00 1.49 -1.67 0.00 -1.26 -4.66 120.51 110.16 1m4p n ALA 105 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1m4p n ALA 105 Cb 0.48 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.43 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 1.24 0.00 0.00 2.85 -1.26 -4.87 115.26 113.22 1m4p n ASN 106 Ca 0.00 -1.54 0.00 0.00 -0.11 0.00 0.00 54.58 52.93 1m4p n ASN 106 Cb 0.00 -0.05 0.00 0.00 1.24 0.00 0.00 39.78 40.97 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 1.09 0.81 3.66 8.20 0.00 -1.26 -4.84 105.19 112.84 1m4p n GLY 107 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.37 4.24 0.10 1.61 0.00 -1.26 0.18 119.74 124.24 1m4p s LYS 108 Ca 0.00 1.22 -0.31 0.00 0.00 0.00 0.00 55.97 56.88 1m4p s LYS 108 Cb 0.00 -3.64 -0.10 0.00 0.00 0.00 0.00 37.83 34.09 1m4p s LYS 108 CO 0.00 -0.58 1.87 -0.89 0.00 0.00 0.00 175.35 175.75 1m4p n ILE 109 N 5.26 0.45 -0.07 3.79 5.41 -1.18 -3.42 119.36 129.60 1m4p n ILE 109 Ca 0.10 -0.08 -0.21 0.00 1.00 0.00 0.00 62.75 63.55 1m4p n ILE 109 Cb 0.47 -2.17 -0.12 0.00 -0.71 0.00 0.00 39.64 37.10 1m4p n ILE 109 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1m4p h TYR 110 N 8.99 0.14 -0.39 1.39 3.20 -1.13 -3.46 116.97 125.72 1m4p h TYR 110 Ca -0.47 -0.10 -0.68 0.00 3.14 0.00 0.00 58.73 60.61 1m4p h TYR 110 Cb 1.23 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1m4p h TYR 110 CO 0.83 1.54 1.44 -0.11 -1.64 0.00 0.00 178.16 180.21 1m4p n LEU 111 N -4.20 1.14 -3.21 2.82 -0.00 -1.23 -4.72 117.00 107.61 1m4p n LEU 111 Ca -0.31 0.46 -0.29 0.00 -0.00 0.00 0.00 56.01 55.88 1m4p n LEU 111 Cb 0.77 -1.04 -0.02 0.00 -0.00 0.00 0.00 43.42 43.13 1m4p n LEU 111 CO 0.26 -0.79 2.77 -0.81 -0.00 0.00 0.00 177.39 178.83 1m4p n PRO 112 N 7.95 2.74 0.10 1.96 -0.04 -1.26 -4.37 135.00 142.08 1m4p n PRO 112 Ca 0.52 -1.75 -0.21 0.00 -0.04 0.00 0.00 63.50 62.02 1m4p n PRO 112 Cb 0.08 -2.58 -0.15 0.00 -0.04 0.00 0.00 33.50 30.81 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 5.71 0.72 -0.21 0.54 -0.00 -1.97 -3.28 116.97 118.48 1m4p h TYR 113 Ca 0.65 -0.52 0.06 0.00 0.00 0.00 0.00 58.73 58.91 1m4p h TYR 113 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 36.92 1m4p h TYR 113 CO 1.92 1.53 0.16 1.25 -0.00 0.00 0.00 178.16 183.02 1m4p h LEU 114 N 0.11 0.00 -3.91 0.10 6.46 -1.98 0.13 115.31 116.23 1m4p h LEU 114 Ca -0.27 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 56.91 1m4p h LEU 114 Cb 2.09 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 41.75 1m4p h LEU 114 CO 0.21 0.00 0.75 1.57 -0.62 0.00 0.00 178.44 180.35 1m4p n HIS 115 N -4.44 2.96 0.00 1.25 -0.00 -1.23 -4.15 115.22 109.61 1m4p n HIS 115 Ca 0.02 -2.55 0.00 0.00 0.46 0.00 0.00 57.72 55.66 1m4p n HIS 115 Cb 0.30 -1.24 0.00 0.00 -0.12 0.00 0.00 29.99 28.93 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 -0.83 0.00 0.00 1.57 2.13 0.46 -4.96 120.64 119.01 1m4p n GLU 116 Ca 0.58 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.40 1m4p n GLU 116 Cb 0.94 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 -2.66 0.00 -4.18 4.31 -0.00 -1.15 -4.81 117.44 108.94 1m4p n TRP 117 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 57.12 1m4p n TRP 117 Cb 0.29 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.53 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 -0.44 -0.75 -0.21 5.87 4.81 -1.26 -4.74 118.16 121.45 1m4p n LYS 118 Ca 0.00 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.56 1m4p n LYS 118 Cb 0.00 -4.14 0.10 0.00 0.02 0.00 0.00 35.03 31.01 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 -0.77 0.47 -0.01 5.64 2.76 -1.95 -3.46 115.15 117.83 1m4p h HIS 119 Ca -0.53 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 57.64 1m4p h HIS 119 Cb 1.22 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.07 1m4p h HIS 119 CO 0.62 0.16 -0.13 -1.00 -1.30 0.00 0.00 177.93 176.29 1m4p h PRO 120 N 0.48 0.10 0.00 5.26 0.13 -2.02 -3.50 132.00 132.45 1m4p h PRO 120 Ca 0.30 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1m4p h PRO 120 Cb 0.32 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1m4p h PRO 120 CO -0.27 0.82 0.00 0.94 -0.23 0.00 0.00 178.00 179.27 1m4p n GLN 121 N -4.62 0.00 -0.80 0.86 -0.06 -1.26 -4.83 117.38 106.67 1m4p n GLN 121 Ca -0.09 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.57 1m4p n GLN 121 Cb 0.43 0.00 0.12 0.00 -4.06 0.00 0.00 30.24 26.73 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 1.00 -2.75 -4.32 1.69 2.88 -1.26 -5.02 113.62 105.84 1m4p n SER 122 Ca 0.00 0.18 -0.17 0.00 -1.33 0.00 0.00 58.87 57.55 1m4p n SER 122 Cb 0.00 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.31 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 -1.78 2.07 0.31 -3.46 -4.77 -1.26 -4.98 116.67 102.81 1m4p s ASP 123 Ca 0.53 -1.10 0.08 0.00 -3.30 0.00 0.00 52.55 48.76 1m4p s ASP 123 Cb -0.17 -0.05 0.85 0.00 -1.09 0.00 0.00 42.92 42.47 1m4p s ASP 123 CO 0.69 -0.36 1.73 0.25 0.70 0.00 0.00 175.17 178.18 1m4p h LEU 124 N 2.57 0.62 -0.24 2.11 5.85 -1.95 1.48 115.31 125.75 1m4p h LEU 124 Ca -0.38 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1m4p h LEU 124 Cb 1.21 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1m4p h LEU 124 CO 0.64 0.09 0.05 -0.07 -0.34 0.00 0.00 178.44 178.82 1m4p h LEU 125 N 0.56 0.37 -1.11 2.25 4.07 -1.96 -2.46 115.31 117.03 1m4p h LEU 125 Ca 0.63 -0.24 -0.09 0.00 0.08 0.00 0.00 57.88 58.26 1m4p h LEU 125 Cb 1.18 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 1m4p h LEU 125 CO -0.48 0.51 -0.34 1.23 -1.08 0.00 0.00 178.44 178.29 1m4p h GLY 126 N 0.21 0.21 0.68 0.83 0.00 -0.63 -2.15 103.07 102.22 1m4p h GLY 126 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1m4p h GLY 126 CO 0.00 0.16 -0.47 -2.00 0.00 0.00 0.00 176.54 174.23 1m4p h LEU 127 N 0.17 -1.20 -1.98 3.11 6.46 0.21 0.33 115.31 122.40 1m4p h LEU 127 Ca 0.02 0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1m4p h LEU 127 Cb 0.68 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 1m4p h LEU 127 CO 0.05 -0.69 0.15 0.40 -0.62 0.00 0.00 178.44 177.73 1m4p h ILE 128 N -1.09 0.91 -0.39 4.05 5.03 -1.42 -0.59 117.51 124.01 1m4p h ILE 128 Ca -0.09 -0.01 -0.05 0.00 -0.12 0.00 0.00 64.86 64.59 1m4p h ILE 128 Cb 0.89 0.88 -0.02 0.00 -3.03 0.00 0.00 36.82 35.54 1m4p h ILE 128 CO 0.06 0.00 0.06 -0.61 -0.68 0.00 0.00 178.15 176.98 1m4p h GLN 129 N 0.03 0.64 -0.50 2.37 5.75 -0.61 -0.89 115.11 121.90 1m4p h GLN 129 Ca 0.10 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1m4p h GLN 129 Cb 0.36 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1m4p h GLN 129 CO -0.00 0.70 0.33 0.28 -2.65 0.00 0.00 178.83 177.48 1m4p h VAL 130 N 0.49 1.13 -0.39 2.39 2.07 0.12 -1.65 116.25 120.41 1m4p h VAL 130 Ca 0.12 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1m4p h VAL 130 Cb 0.37 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1m4p h VAL 130 CO 0.01 0.13 0.15 -0.03 0.02 0.00 0.00 177.57 177.84 1m4p h MET 131 N 0.67 0.56 -0.70 1.57 -1.53 -1.18 -0.13 114.93 114.19 1m4p h MET 131 Ca 0.18 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.34 1m4p h MET 131 Cb -0.07 -0.10 -0.03 0.00 -0.55 0.00 0.00 31.60 30.84 1m4p h MET 131 CO -0.04 0.47 0.31 0.82 0.14 0.00 0.00 176.91 178.62 1m4p h ILE 132 N 0.56 1.23 -0.05 1.77 2.04 -0.24 1.49 117.51 124.29 1m4p h ILE 132 Ca 0.14 -0.67 -0.19 0.00 1.00 0.00 0.00 64.86 65.13 1m4p h ILE 132 Cb 0.13 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1m4p h ILE 132 CO -0.01 0.28 -0.78 0.58 0.00 0.00 0.00 178.15 178.21 1m4p h VAL 133 N 1.00 1.39 -0.01 1.67 2.07 -0.69 0.52 116.25 122.20 1m4p h VAL 133 Ca 0.24 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1m4p h VAL 133 Cb 0.13 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1m4p h VAL 133 CO -0.03 0.67 -0.04 0.58 0.02 0.00 0.00 177.57 178.77 1m4p h VAL 134 N 0.25 1.49 -0.00 2.57 2.07 -0.25 -2.18 116.25 120.19 1m4p h VAL 134 Ca -0.04 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1m4p h VAL 134 Cb 1.38 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1m4p h VAL 134 CO 0.13 0.39 -0.01 0.49 0.02 0.00 0.00 177.57 178.59 1m4p n PHE 135 N -4.74 0.00 -0.02 1.57 3.01 0.50 -2.99 117.46 114.80 1m4p n PHE 135 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1m4p n PHE 135 Cb 0.33 -0.08 -0.13 0.00 -0.01 0.00 0.00 39.48 39.60 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 1.11 -1.10 0.10 1.37 0.00 0.18 -4.38 105.19 102.47 1m4p n GLY 136 Ca 0.20 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 1m4p n GLY 136 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1m4p h ASP 137 N 0.00 0.17 -3.42 1.61 1.82 -1.33 -3.43 116.42 111.83 1m4p h ASP 137 Ca -0.23 -0.86 -0.66 0.00 -0.39 0.00 0.00 57.03 54.90 1m4p h ASP 137 Cb 1.61 -0.05 -0.16 0.00 0.68 0.00 0.00 39.33 41.40 1m4p h ASP 137 CO 0.03 1.30 -0.76 -1.61 -1.61 0.00 0.00 179.24 176.59 1m4p s GLU 138 N -2.34 1.94 -0.34 0.28 2.02 -1.16 -5.08 118.70 114.01 1m4p s GLU 138 Ca -0.20 -1.19 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 1m4p s GLU 138 Cb 0.01 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 32.08 1m4p s GLU 138 CO 0.71 0.47 1.37 -1.25 0.02 0.00 0.00 175.26 176.58 1m4p s PRO 139 N -2.41 3.75 0.27 0.39 0.04 -1.26 -4.48 135.00 131.30 1m4p s PRO 139 Ca 0.21 1.14 0.13 0.00 0.04 0.00 0.00 61.00 62.52 1m4p s PRO 139 Cb -0.10 -3.96 0.28 0.00 0.04 0.00 0.00 34.50 30.76 1m4p s PRO 139 CO 0.13 -1.33 1.55 -1.00 0.04 0.00 0.00 177.00 176.38 1m4p h PRO 140 N 10.03 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.41 1m4p h PRO 140 Ca -0.27 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 1m4p h PRO 140 Cb 1.11 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.62 -0.12 1.55 -0.23 0.00 0.00 178.00 180.88 1m4p n VAL 141 N -3.55 0.00 -1.95 1.56 3.14 -1.26 -2.98 118.33 113.29 1m4p n VAL 141 Ca -0.00 -0.98 -0.43 0.00 -2.96 0.00 0.00 64.34 59.97 1m4p n VAL 141 Cb 0.68 1.24 -0.03 0.00 -1.06 0.00 0.00 33.84 34.66 1m4p n VAL 141 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1m4p s PHE 142 N 0.13 1.80 0.93 1.45 -0.71 -1.20 -4.41 117.98 115.97 1m4p s PHE 142 Ca 0.21 0.41 -0.14 0.00 -1.04 0.00 0.00 56.93 56.37 1m4p s PHE 142 Cb 0.29 -4.03 0.19 0.00 -1.21 0.00 0.00 43.02 38.27 1m4p s PHE 142 CO -0.14 -3.50 1.28 0.45 -1.34 0.00 0.00 175.22 171.97 1m4p s SER 143 N 5.16 3.27 0.29 1.98 0.15 -1.26 -4.47 113.70 118.83 1m4p s SER 143 Ca 0.80 0.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.60 1m4p s SER 143 Cb -0.28 -0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 63.71 1m4p s SER 143 CO 0.32 -2.62 0.54 0.00 1.20 0.00 0.00 173.24 172.68 1m4p s ARG 144 N -5.80 3.59 0.00 5.44 1.70 -1.26 -5.00 118.95 117.62 1m4p s ARG 144 Ca 0.73 -0.10 0.24 0.00 -0.47 0.00 0.00 55.73 56.13 1m4p s ARG 144 Cb -0.04 -2.67 1.43 0.00 -0.57 0.00 0.00 34.95 33.10 1m4p s ARG 144 CO 0.52 0.22 1.79 -0.35 -1.08 0.00 0.00 175.30 176.40