#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 0.70 0.00 3.14 -1.26 -4.30 118.33 116.61 1m4p n VAL 3 Ca 0.00 -0.30 0.12 0.00 -2.96 0.00 0.00 64.34 61.20 1m4p n VAL 3 Cb 0.00 1.09 0.48 0.00 -1.06 0.00 0.00 33.84 34.34 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1m4p n SER 4 N -0.66 0.32 -0.37 6.55 7.64 -1.26 -3.72 113.62 122.11 1m4p n SER 4 Ca 0.04 0.55 0.32 0.00 1.01 0.00 0.00 58.87 60.78 1m4p n SER 4 Cb 0.24 -0.63 0.53 0.00 -1.01 0.00 0.00 64.21 63.35 1m4p n SER 4 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1m4p n GLU 5 N -1.82 -0.03 0.39 1.43 0.28 -1.26 0.19 120.64 119.83 1m4p n GLU 5 Ca 0.05 1.00 -0.18 0.00 -0.16 0.00 0.00 57.16 57.87 1m4p n GLU 5 Cb 0.31 -1.96 -0.09 0.00 1.43 0.00 0.00 31.44 31.13 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 -0.83 0.79 -1.84 0.87 -1.93 -1.48 113.55 109.14 1m4p h SER 6 Ca 0.70 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 61.17 1m4p h SER 6 Cb 2.23 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 64.39 1m4p h SER 6 CO -0.38 -0.53 -0.44 1.56 -0.53 0.00 0.00 176.83 176.51 1m4p h GLN 7 N -1.08 0.00 -0.04 2.24 4.20 0.13 -2.71 115.11 117.84 1m4p h GLN 7 Ca -0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1m4p h GLN 7 Cb 0.77 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 1m4p h GLN 7 CO 0.16 0.44 -0.08 1.25 -0.67 0.00 0.00 178.83 179.93 1m4p h LEU 8 N 0.00 0.05 -0.54 1.46 5.85 0.23 0.39 115.31 122.76 1m4p h LEU 8 Ca -0.00 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 1m4p h LEU 8 Cb 0.95 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1m4p h LEU 8 CO 0.06 0.15 -0.66 0.50 -0.34 0.00 0.00 178.44 178.15 1m4p h LYS 9 N 0.06 0.31 -0.00 1.25 3.64 -0.93 -2.48 116.57 118.41 1m4p h LYS 9 Ca 0.01 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1m4p h LYS 9 Cb 0.19 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1m4p h LYS 9 CO 0.01 0.86 -0.27 0.36 -2.27 0.00 0.00 179.45 178.14 1m4p n LYS 10 N -3.85 0.02 0.03 1.90 2.85 -0.25 -3.49 118.16 115.37 1m4p n LYS 10 Ca -0.03 -0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.13 1m4p n LYS 10 Cb 0.66 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.41 1m4p n LYS 10 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 177.40 177.87 1m4p h MET 11 N 0.02 0.03 0.00 -1.58 2.86 0.11 -3.44 114.93 112.95 1m4p h MET 11 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1m4p h MET 11 Cb 0.50 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1m4p h MET 11 CO 0.00 0.82 0.00 1.33 1.06 0.00 0.00 176.91 180.12 1m4p n VAL 12 N -3.25 0.00 -1.65 -2.22 0.24 -0.97 -4.83 118.33 105.65 1m4p n VAL 12 Ca -0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 1m4p n VAL 12 Cb 1.00 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.32 1m4p n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1m4p n SER 13 N 0.00 -3.73 -0.54 -1.34 3.41 -1.24 -4.74 113.62 105.44 1m4p n SER 13 Ca 0.00 0.29 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 1m4p n SER 13 Cb 0.00 -3.39 0.14 0.00 -0.26 0.00 0.00 64.21 60.71 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1m4p n LYS 14 N -2.12 1.14 -4.53 4.33 4.76 -1.26 -5.01 118.16 115.47 1m4p n LYS 14 Ca -0.14 -2.70 -0.29 0.00 -2.87 0.00 0.00 58.31 52.32 1m4p n LYS 14 Cb 0.49 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 32.27 1m4p n LYS 14 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1m4p s TYR 15 N -2.41 2.23 0.32 2.13 2.02 -1.26 -4.92 117.35 115.46 1m4p s TYR 15 Ca 0.32 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 56.72 1m4p s TYR 15 Cb 0.31 -1.25 0.95 0.00 -0.40 0.00 0.00 41.96 41.57 1m4p s TYR 15 CO -0.04 0.26 1.62 -0.22 -1.57 0.00 0.00 175.55 175.59 1m4p h LYS 16 N 4.19 0.14 -2.54 -0.62 1.63 -1.97 -3.02 116.57 114.38 1m4p h LYS 16 Ca -0.49 -0.01 -0.60 0.00 -0.85 0.00 0.00 60.65 58.71 1m4p h LYS 16 Cb 1.16 -0.03 -0.39 0.00 -0.60 0.00 0.00 32.23 32.37 1m4p h LYS 16 CO 0.40 0.09 -0.88 0.71 -3.45 0.00 0.00 179.45 176.32 1m4p s TYR 17 N -5.80 1.53 0.25 1.91 2.02 -1.26 -4.97 117.35 111.03 1m4p s TYR 17 Ca -0.11 -2.45 -0.03 0.00 -0.37 0.00 0.00 57.07 54.11 1m4p s TYR 17 Cb 0.29 -1.27 0.43 0.00 -0.40 0.00 0.00 41.96 41.01 1m4p s TYR 17 CO 0.78 -0.78 1.79 -0.09 -1.57 0.00 0.00 175.55 175.68 1m4p h ARG 18 N 5.76 0.70 0.40 -0.62 2.43 -1.92 1.46 114.38 122.60 1m4p h ARG 18 Ca 0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1m4p h ARG 18 Cb 0.89 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1m4p h ARG 18 CO 0.43 0.47 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.63 1m4p h ASP 19 N 0.72 -0.72 -0.47 -3.80 5.19 -1.93 1.18 116.42 116.60 1m4p h ASP 19 Ca 0.41 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.83 1m4p h ASP 19 Cb 0.45 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1m4p h ASP 19 CO -0.28 -0.43 0.14 -0.07 -3.12 0.00 0.00 179.24 175.48 1m4p h LEU 20 N -0.67 0.73 -0.12 1.55 -0.00 -1.76 0.45 115.31 115.49 1m4p h LEU 20 Ca -0.04 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 1m4p h LEU 20 Cb 0.57 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1m4p h LEU 20 CO 0.02 0.71 0.04 0.74 -0.00 0.00 0.00 178.44 179.95 1m4p h THR 21 N 0.77 1.18 -0.51 0.22 2.02 0.26 0.20 112.91 117.05 1m4p h THR 21 Ca 0.17 -0.55 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 1m4p h THR 21 Cb 0.26 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1m4p h THR 21 CO -0.00 0.16 -0.13 0.58 0.37 0.00 0.00 175.52 176.50 1m4p h VAL 22 N 0.00 1.27 -0.19 3.16 2.07 0.17 0.09 116.25 122.83 1m4p h VAL 22 Ca 0.04 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.24 1m4p h VAL 22 Cb 0.22 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1m4p h VAL 22 CO -0.00 0.44 -0.10 -0.09 0.02 0.00 0.00 177.57 177.85 1m4p h ARG 23 N 0.86 0.30 0.05 1.57 2.43 0.08 0.44 114.38 120.12 1m4p h ARG 23 Ca 0.13 -0.07 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 1m4p h ARG 23 Cb 0.68 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1m4p h ARG 23 CO 0.05 0.41 -1.12 0.93 -1.51 0.00 0.00 179.97 178.73 1m4p h GLU 24 N 0.29 0.62 -0.07 0.20 4.39 -0.16 -1.09 114.58 118.75 1m4p h GLU 24 Ca 0.06 -0.74 -0.03 0.00 0.34 0.00 0.00 59.36 58.99 1m4p h GLU 24 Cb 0.36 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1m4p h GLU 24 CO 0.02 1.32 -0.07 1.15 -1.16 0.00 0.00 179.01 180.27 1m4p h THR 25 N 0.32 1.37 -0.54 1.13 2.02 -0.56 -2.14 112.91 114.50 1m4p h THR 25 Ca -0.15 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 1m4p h THR 25 Cb 1.78 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 70.19 1m4p h THR 25 CO 0.21 0.34 0.12 -0.37 0.37 0.00 0.00 175.52 176.19 1m4p h VAL 26 N -0.25 1.23 -0.89 3.16 -1.51 -0.22 -2.07 116.25 115.69 1m4p h VAL 26 Ca 0.01 -0.84 0.02 0.00 -1.23 0.00 0.00 66.70 64.66 1m4p h VAL 26 Cb 0.58 0.69 -0.05 0.00 -2.13 0.00 0.00 31.29 30.38 1m4p h VAL 26 CO 0.02 0.31 0.59 0.78 -1.23 0.00 0.00 177.57 178.04 1m4p h ASN 27 N 0.81 1.00 0.15 4.19 4.21 -1.12 0.66 115.58 125.48 1m4p h ASN 27 Ca 0.18 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1m4p h ASN 27 Cb 0.31 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1m4p h ASN 27 CO 0.00 0.71 -0.08 0.58 -1.29 0.00 0.00 177.43 177.35 1m4p h VAL 28 N 1.18 0.00 -0.46 2.81 2.07 -0.70 0.21 116.25 121.36 1m4p h VAL 28 Ca 0.34 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.99 1m4p h VAL 28 Cb -0.08 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 1m4p h VAL 28 CO -0.09 0.00 0.42 0.16 0.02 0.00 0.00 177.57 178.08 1m4p h ILE 29 N -0.22 0.49 0.00 4.57 3.07 -1.37 1.07 117.51 125.12 1m4p h ILE 29 Ca -0.02 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.31 1m4p h ILE 29 Cb 0.17 0.68 -0.01 0.00 -0.27 0.00 0.00 36.82 37.39 1m4p h ILE 29 CO 0.03 0.00 -0.37 0.74 -1.05 0.00 0.00 178.15 177.50 1m4p h THR 30 N 0.00 0.87 0.05 0.16 2.02 0.91 1.17 112.91 118.09 1m4p h THR 30 Ca 0.22 -1.51 -0.21 0.00 0.77 0.00 0.00 66.41 65.67 1m4p h THR 30 Cb 1.05 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1m4p h THR 30 CO -0.00 0.36 -1.13 0.25 0.37 0.00 0.00 175.52 175.37 1m4p h LEU 31 N 0.00 0.17 0.00 2.58 5.85 0.43 -3.43 115.31 120.92 1m4p h LEU 31 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1m4p h LEU 31 Cb 0.90 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1m4p h LEU 31 CO 0.05 1.47 -0.48 -1.22 -0.34 0.00 0.00 178.44 177.92 1m4p n TYR 32 N -4.22 0.30 -0.74 1.25 4.01 0.30 -5.00 117.16 113.07 1m4p n TYR 32 Ca -0.25 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1m4p n TYR 32 Cb 0.75 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 -3.74 0.00 -0.03 -0.72 4.81 0.40 -4.88 118.16 114.00 1m4p n LYS 33 Ca -0.07 0.11 0.02 0.00 -0.87 0.00 0.00 58.31 57.50 1m4p n LYS 33 Cb 0.25 -2.43 -0.10 0.00 0.02 0.00 0.00 35.03 32.77 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 0.43 1.95 -4.77 3.14 8.00 -1.26 -4.97 116.55 119.07 1m4p n ASP 34 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1m4p n ASP 34 Cb 0.00 1.29 -0.06 0.00 -0.02 0.00 0.00 41.12 42.33 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 -4.31 4.47 -0.19 0.64 1.02 -1.26 -3.05 118.68 115.99 1m4p s LEU 35 Ca -0.05 1.91 0.01 0.00 0.02 0.00 0.00 54.13 56.01 1m4p s LEU 35 Cb 0.07 -3.84 0.02 0.00 0.02 0.00 0.00 46.19 42.45 1m4p s LEU 35 CO 0.54 0.01 -0.17 -0.54 0.02 0.00 0.00 176.35 176.20 1m4p s LYS 36 N -1.69 2.96 0.04 1.70 1.02 0.57 -4.82 119.74 119.52 1m4p s LYS 36 Ca 0.46 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 1m4p s LYS 36 Cb -0.22 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1m4p s LYS 36 CO 0.28 -0.24 1.17 -1.25 -0.92 0.00 0.00 175.35 174.39 1m4p s PRO 37 N 1.30 4.44 0.03 -1.68 0.04 -1.26 -0.46 135.00 137.40 1m4p s PRO 37 Ca 0.04 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.85 1m4p s PRO 37 Cb -0.14 -3.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1m4p s PRO 37 CO -0.11 -0.26 -0.17 0.54 0.04 0.00 0.00 177.00 177.04 1m4p s VAL 38 N 1.20 1.39 -0.21 -0.36 0.11 0.24 -4.62 120.40 118.16 1m4p s VAL 38 Ca 0.58 -1.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.48 1m4p s VAL 38 Cb -0.28 -1.22 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 1m4p s VAL 38 CO 0.28 0.16 0.19 -0.22 -3.33 0.00 0.00 175.10 172.18 1m4p s LEU 39 N -1.02 4.17 0.23 2.54 1.98 -1.26 -0.44 118.68 124.87 1m4p s LEU 39 Ca 0.05 0.24 0.11 0.00 -2.89 0.00 0.00 54.13 51.64 1m4p s LEU 39 Cb -0.08 -2.17 -0.05 0.00 0.66 0.00 0.00 46.19 44.55 1m4p s LEU 39 CO 0.01 0.10 -0.16 1.51 -1.89 0.00 0.00 176.35 175.92 1m4p s ASP 40 N 0.73 3.85 -0.15 3.68 -4.77 0.70 -4.93 116.67 115.78 1m4p s ASP 40 Ca 0.10 -0.81 -0.05 0.00 -3.30 0.00 0.00 52.55 48.49 1m4p s ASP 40 Cb -0.13 -0.47 0.07 0.00 -1.09 0.00 0.00 42.92 41.31 1m4p s ASP 40 CO 0.02 0.07 0.28 -0.55 0.70 0.00 0.00 175.17 175.70 1m4p s SER 41 N -3.12 0.40 0.05 2.11 0.15 -1.26 -1.43 113.70 110.61 1m4p s SER 41 Ca 0.26 0.52 0.01 0.00 0.70 0.00 0.00 55.95 57.43 1m4p s SER 41 Cb -0.07 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 64.96 1m4p s SER 41 CO 0.14 -0.25 -0.05 -0.47 1.20 0.00 0.00 173.24 173.81 1m4p s TYR 42 N 2.44 0.58 0.39 3.44 6.14 -0.82 -4.85 117.35 124.67 1m4p s TYR 42 Ca 0.02 -0.78 -0.19 0.00 0.64 0.00 0.00 57.07 56.76 1m4p s TYR 42 Cb -0.13 -0.38 -0.10 0.00 0.42 0.00 0.00 41.96 41.77 1m4p s TYR 42 CO -0.10 -0.21 0.88 0.14 0.64 0.00 0.00 175.55 176.90 1m4p s VAL 43 N -2.72 4.48 0.26 3.14 -7.23 -1.26 0.13 120.40 117.20 1m4p s VAL 43 Ca -0.01 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 61.49 1m4p s VAL 43 Cb -0.01 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1m4p s VAL 43 CO -0.04 -0.26 0.00 0.49 -0.31 0.00 0.00 175.10 174.98 1m4p n PHE 44 N -0.50 -3.24 -1.54 2.82 3.72 -0.46 -4.76 117.46 113.51 1m4p n PHE 44 Ca 0.06 0.80 -0.22 0.00 -0.05 0.00 0.00 57.45 58.04 1m4p n PHE 44 Cb 0.54 2.10 -0.09 0.00 -0.94 0.00 0.00 39.48 41.08 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 -3.09 1.30 -2.07 4.37 3.02 -1.23 -1.82 115.26 115.75 1m4p n ASN 45 Ca 0.00 -0.97 -0.09 0.00 -0.03 0.00 0.00 54.58 53.50 1m4p n ASN 45 Cb 0.00 -1.41 -0.01 0.00 -0.61 0.00 0.00 39.78 37.75 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1m4p n ASP 46 N 15.34 -2.82 -0.27 6.41 2.03 -1.26 0.14 116.55 136.12 1m4p n ASP 46 Ca 0.49 0.26 0.00 0.00 0.52 0.00 0.00 54.79 56.07 1m4p n ASP 46 Cb 0.38 -2.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.24 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 -0.54 0.92 3.35 0.27 0.00 -0.75 -5.08 105.19 103.35 1m4p n GLY 47 Ca -0.10 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.43 4.19 0.38 1.61 0.15 0.12 -4.69 113.70 113.03 1m4p s SER 48 Ca 0.00 -0.35 -0.23 0.00 0.70 0.00 0.00 55.95 56.08 1m4p s SER 48 Cb 0.00 -1.68 -0.15 0.00 -1.71 0.00 0.00 66.02 62.48 1m4p s SER 48 CO 0.00 0.07 0.32 -1.54 1.20 0.00 0.00 173.24 173.29 1m4p n SER 49 N 4.16 -1.90 -3.89 5.45 3.41 -1.26 -1.35 113.62 118.24 1m4p n SER 49 Ca -0.18 0.89 -0.15 0.00 -0.26 0.00 0.00 58.87 59.17 1m4p n SER 49 Cb 0.52 -0.98 -0.15 0.00 -0.26 0.00 0.00 64.21 63.34 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4p s ARG 50 N -1.22 0.23 -0.64 4.33 3.52 0.36 -4.78 118.95 120.74 1m4p s ARG 50 Ca 0.61 -0.05 -0.22 0.00 -0.13 0.00 0.00 55.73 55.95 1m4p s ARG 50 Cb -0.66 -0.27 0.07 0.00 -1.56 0.00 0.00 34.95 32.53 1m4p s ARG 50 CO 0.60 0.00 0.93 -2.00 -0.81 0.00 0.00 175.30 174.02 1m4p s GLU 51 N 0.23 3.11 -0.06 5.12 2.56 -1.26 -1.93 118.70 126.46 1m4p s GLU 51 Ca -0.02 -0.87 0.06 0.00 0.00 0.00 0.00 54.97 54.14 1m4p s GLU 51 Cb -0.04 -4.22 -0.01 0.00 2.00 0.00 0.00 34.13 31.85 1m4p s GLU 51 CO -0.01 -1.76 -0.24 -1.17 -0.56 0.00 0.00 175.26 171.52 1m4p s LEU 52 N 3.87 2.12 -0.07 2.70 0.20 -0.51 -4.98 118.68 122.02 1m4p s LEU 52 Ca 0.21 -0.49 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 1m4p s LEU 52 Cb -0.18 -1.39 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 1m4p s LEU 52 CO 0.10 0.24 0.16 -0.32 -0.29 0.00 0.00 176.35 176.24 1m4p s MET 53 N -0.15 3.43 0.05 1.98 -2.45 -1.26 -0.22 119.30 120.68 1m4p s MET 53 Ca -0.04 -0.22 -0.00 0.00 -1.25 0.00 0.00 55.69 54.19 1m4p s MET 53 Cb -0.14 -3.14 -0.03 0.00 1.25 0.00 0.00 34.83 32.77 1m4p s MET 53 CO 0.04 0.73 -0.04 0.54 1.05 0.00 0.00 175.02 177.34 1m4p s ASN 54 N -1.42 0.53 0.18 1.11 4.22 0.41 -0.02 114.94 119.95 1m4p s ASN 54 Ca 0.20 -0.81 0.10 0.00 -2.14 0.00 0.00 52.86 50.22 1m4p s ASN 54 Cb -0.12 0.14 -0.04 0.00 1.28 0.00 0.00 41.25 42.51 1m4p s ASN 54 CO 0.10 -0.46 -0.22 -0.76 -2.04 0.00 0.00 177.10 173.72 1m4p s LEU 55 N -2.37 2.42 -0.28 3.54 1.43 -0.86 0.82 118.68 123.38 1m4p s LEU 55 Ca -0.01 -0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 52.03 1m4p s LEU 55 Cb 0.01 -1.06 0.12 0.00 0.03 0.00 0.00 46.19 45.28 1m4p s LEU 55 CO -0.06 0.08 0.94 0.28 0.23 0.00 0.00 176.35 177.82 1m4p s THR 56 N -1.71 0.00 0.00 5.49 -1.32 0.39 -2.29 115.64 116.20 1m4p s THR 56 Ca 0.18 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1m4p s THR 56 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1m4p s THR 56 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 1m4p n GLY 57 N 2.97 1.33 3.01 6.08 0.00 -1.06 -0.32 105.19 117.22 1m4p n GLY 57 Ca -0.15 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.34 2.26 0.27 2.61 -4.23 -1.17 -1.20 115.64 111.85 1m4p s THR 58 Ca 0.00 -2.35 -0.29 0.00 -1.18 0.00 0.00 61.69 57.87 1m4p s THR 58 Cb 0.00 -2.67 -0.09 0.00 1.34 0.00 0.00 72.50 71.07 1m4p s THR 58 CO 0.00 -0.61 1.01 -0.63 -0.54 0.00 0.00 174.62 173.85 1m4p s ILE 59 N 0.89 3.83 -0.36 2.99 1.01 0.45 -4.65 121.20 125.36 1m4p s ILE 59 Ca 0.11 1.79 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 1m4p s ILE 59 Cb -0.19 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1m4p s ILE 59 CO -0.08 0.38 1.38 -2.16 0.00 0.00 0.00 174.94 174.46 1m4p s PRO 60 N -1.44 3.72 -0.36 2.79 0.04 -1.26 -0.39 135.00 138.10 1m4p s PRO 60 Ca 0.44 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1m4p s PRO 60 Cb -0.27 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.31 1m4p s PRO 60 CO 0.35 -1.38 0.21 0.08 0.04 0.00 0.00 177.00 176.30 1m4p s VAL 61 N 5.00 4.72 0.62 -0.36 1.01 0.57 -4.91 120.40 127.05 1m4p s VAL 61 Ca 0.60 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1m4p s VAL 61 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1m4p s VAL 61 CO 0.29 -0.15 1.05 -2.16 0.00 0.00 0.00 175.10 174.13 1m4p s PRO 62 N 1.60 3.26 -0.01 2.72 0.04 -1.26 -0.27 135.00 141.07 1m4p s PRO 62 Ca 0.03 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.20 1m4p s PRO 62 Cb -0.18 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1m4p s PRO 62 CO 0.07 -0.85 0.88 0.98 0.04 0.00 0.00 177.00 178.12 1m4p n TYR 63 N -2.33 0.00 -1.92 0.56 9.36 0.11 -4.79 117.16 118.15 1m4p n TYR 63 Ca 0.08 -0.13 -0.03 0.00 3.32 0.00 0.00 57.90 61.14 1m4p n TYR 63 Cb 0.53 -0.05 0.01 0.00 -0.63 0.00 0.00 39.34 39.21 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 -0.18 -0.50 0.00 2.98 0.00 -1.26 -4.56 116.66 113.14 1m4p n ARG 64 Ca 0.02 0.33 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1m4p n ARG 64 Cb 0.61 -2.56 0.00 0.00 0.00 0.00 0.00 32.46 30.52 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m4p n GLY 65 N -1.38 1.35 2.79 5.14 0.00 -1.26 -5.09 105.19 106.74 1m4p n GLY 65 Ca -0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.32 0.17 -0.34 1.61 0.01 -1.26 -5.12 114.94 109.69 1m4p s ASN 66 Ca 0.00 0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.14 1m4p s ASN 66 Cb 0.00 -0.11 0.07 0.00 0.41 0.00 0.00 41.25 41.62 1m4p s ASN 66 CO 0.00 -0.12 0.08 -0.89 -1.51 0.00 0.00 177.10 174.67 1m4p s THR 67 N 1.02 3.16 0.00 1.60 2.01 -1.26 0.04 115.64 122.21 1m4p s THR 67 Ca -0.09 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.30 1m4p s THR 67 Cb -0.13 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1m4p s THR 67 CO -0.03 -0.33 0.00 -1.22 -0.69 0.00 0.00 174.62 172.36 1m4p n TYR 68 N 4.62 -2.40 -4.11 4.92 4.02 0.62 -4.74 117.16 120.10 1m4p n TYR 68 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.56 1m4p n TYR 68 Cb 0.43 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.58 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 1.72 -0.02 7.72 0.01 -1.26 -0.31 114.94 121.79 1m4p s ASN 69 Ca 0.00 -0.23 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 1m4p s ASN 69 Cb 0.00 -0.69 -0.03 0.00 0.41 0.00 0.00 41.25 40.94 1m4p s ASN 69 CO 0.00 -0.08 -0.13 -0.51 -1.51 0.00 0.00 177.10 174.87 1m4p s ILE 70 N 1.31 3.19 0.40 0.60 1.10 0.48 -4.88 121.20 123.40 1m4p s ILE 70 Ca -0.03 -0.79 -0.24 0.00 -0.51 0.00 0.00 60.65 59.07 1m4p s ILE 70 Cb -0.14 -2.30 -0.09 0.00 0.15 0.00 0.00 42.46 40.09 1m4p s ILE 70 CO -0.03 0.51 1.05 -2.16 -2.11 0.00 0.00 174.94 172.20 1m4p s PRO 71 N -1.00 4.16 0.02 3.50 0.04 -1.26 -0.41 135.00 140.06 1m4p s PRO 71 Ca 0.13 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 1m4p s PRO 71 Cb -0.11 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 1m4p s PRO 71 CO 0.03 -0.15 0.01 0.42 0.04 0.00 0.00 177.00 177.35 1m4p s ILE 72 N -1.64 0.12 -0.27 0.56 -1.09 -0.34 -4.18 121.20 114.36 1m4p s ILE 72 Ca 0.58 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 1m4p s ILE 72 Cb -0.22 -0.50 0.07 0.00 -1.58 0.00 0.00 42.46 40.23 1m4p s ILE 72 CO 0.28 -0.55 0.70 0.00 -1.23 0.00 0.00 174.94 174.14 1m4p s LEU 74 N 0.72 -0.36 0.04 0.00 2.34 -0.97 0.99 118.68 121.44 1m4p s LEU 74 Ca -0.03 -0.34 0.03 0.00 0.06 0.00 0.00 54.13 53.86 1m4p s LEU 74 Cb -0.05 2.62 -0.04 0.00 -0.56 0.00 0.00 46.19 48.16 1m4p s LEU 74 CO -0.05 -1.16 -0.01 0.26 -1.06 0.00 0.00 176.35 174.33 1m4p s TRP 75 N -3.84 3.00 -0.29 3.48 0.52 -0.99 -2.03 118.94 118.78 1m4p s TRP 75 Ca 0.07 0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.16 1m4p s TRP 75 Cb -0.03 -1.60 0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1m4p s TRP 75 CO -0.02 0.45 0.02 -1.17 0.02 0.00 0.00 176.95 176.25 1m4p s LEU 76 N -1.86 3.80 0.00 2.99 2.96 0.97 -4.66 118.68 122.88 1m4p s LEU 76 Ca 0.22 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 1m4p s LEU 76 Cb -0.11 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1m4p s LEU 76 CO 0.13 -0.23 0.00 0.18 -1.32 0.00 0.00 176.35 175.11 1m4p n LEU 77 N 4.72 0.00 -0.05 -0.68 4.32 -1.26 -4.00 117.00 120.05 1m4p n LEU 77 Ca -0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.83 1m4p n LEU 77 Cb 0.45 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.25 1m4p n LEU 77 CO 0.28 -0.36 -0.18 0.44 -1.22 0.00 0.00 177.39 176.36 1m4p h ASP 78 N -0.16 0.00 0.00 -1.43 5.19 -1.99 -3.48 116.42 114.55 1m4p h ASP 78 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1m4p h ASP 78 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1m4p h ASP 78 CO 0.00 0.54 0.00 1.07 -3.12 0.00 0.00 179.24 177.73 1m4p n THR 79 N -4.23 0.00 -3.71 0.35 5.66 -1.26 -4.48 114.28 106.62 1m4p n THR 79 Ca -0.04 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.83 1m4p n THR 79 Cb 0.14 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.82 1m4p n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4p s TYR 80 N 0.00 -0.53 -0.54 1.09 6.14 -1.26 -4.25 117.35 118.00 1m4p s TYR 80 Ca 0.00 1.28 0.25 0.00 0.64 0.00 0.00 57.07 59.24 1m4p s TYR 80 Cb 0.00 0.18 0.89 0.00 0.42 0.00 0.00 41.96 43.46 1m4p s TYR 80 CO 0.00 -0.27 1.76 -1.00 0.64 0.00 0.00 175.55 176.68 1m4p h PRO 81 N 5.30 0.00 0.00 4.97 0.13 -2.02 -3.41 132.00 136.97 1m4p h PRO 81 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1m4p h PRO 81 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1m4p h PRO 81 CO 0.21 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.64 1m4p n TYR 82 N -2.38 -0.04 -3.94 1.56 4.01 -1.26 -5.15 117.16 109.97 1m4p n TYR 82 Ca 0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1m4p n TYR 82 Cb 0.34 0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.03 0.21 -0.34 7.72 -0.87 -1.26 -4.90 114.94 114.48 1m4p s ASN 83 Ca 0.00 -0.60 -0.29 0.00 -1.57 0.00 0.00 52.86 50.40 1m4p s ASN 83 Cb 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.46 1m4p s ASN 83 CO 0.00 -0.53 1.37 -2.16 -2.57 0.00 0.00 177.10 173.20 1m4p s PRO 84 N -2.84 3.77 0.00 -0.60 0.04 -1.26 -4.86 135.00 129.25 1m4p s PRO 84 Ca -0.03 1.16 0.23 0.00 0.04 0.00 0.00 61.00 62.40 1m4p s PRO 84 Cb 0.00 -3.95 1.20 0.00 0.04 0.00 0.00 34.50 31.80 1m4p s PRO 84 CO -0.06 -1.31 1.75 -0.35 0.04 0.00 0.00 177.00 177.08 1m4p n PRO 85 N 7.63 0.40 -2.94 0.56 -0.04 -1.26 -4.64 135.00 134.72 1m4p n PRO 85 Ca 0.16 0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1m4p n PRO 85 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1m4p n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4p s ILE 86 N -2.46 4.68 -0.17 0.52 -1.09 -1.26 -4.95 121.20 116.47 1m4p s ILE 86 Ca 0.24 0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 59.36 1m4p s ILE 86 Cb 0.15 -4.27 0.08 0.00 -1.58 0.00 0.00 42.46 36.85 1m4p s ILE 86 CO 0.33 -0.56 0.29 0.00 -1.23 0.00 0.00 174.94 173.78 1m4p n PHE 88 N 5.35 0.24 -4.23 0.00 3.72 0.28 -2.10 117.46 120.71 1m4p n PHE 88 Ca -0.06 -1.24 -0.16 0.00 -0.05 0.00 0.00 57.45 55.94 1m4p n PHE 88 Cb 0.50 -0.06 -0.11 0.00 -0.94 0.00 0.00 39.48 38.87 1m4p n PHE 88 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1m4p s VAL 89 N -2.14 1.23 -0.65 -4.37 0.11 0.16 -1.68 120.40 113.06 1m4p s VAL 89 Ca 0.06 -1.80 0.05 0.00 -2.93 0.00 0.00 61.98 57.37 1m4p s VAL 89 Cb 0.00 -1.59 0.19 0.00 -1.53 0.00 0.00 36.38 33.46 1m4p s VAL 89 CO 0.05 -0.53 0.55 0.29 -3.33 0.00 0.00 175.10 172.13 1m4p n LYS 90 N 0.33 1.83 -1.56 1.54 4.76 -1.26 -4.83 118.16 118.98 1m4p n LYS 90 Ca -0.14 -4.38 -0.31 0.00 -2.87 0.00 0.00 58.31 50.62 1m4p n LYS 90 Cb 0.58 -2.19 0.07 0.00 -1.84 0.00 0.00 35.03 31.65 1m4p n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m4p s PRO 91 N -1.59 2.56 0.17 1.97 0.04 -1.26 -4.57 135.00 132.33 1m4p s PRO 91 Ca 0.30 0.82 -0.01 0.00 0.04 0.00 0.00 61.00 62.15 1m4p s PRO 91 Cb 0.02 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1m4p s PRO 91 CO -0.13 -1.33 0.24 0.25 0.04 0.00 0.00 177.00 176.07 1m4p n THR 92 N -3.27 0.00 0.07 1.26 -2.24 -1.26 -5.00 114.28 103.84 1m4p n THR 92 Ca 0.07 -0.33 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 1m4p n THR 92 Cb 0.55 -1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 1m4p n THR 92 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1m4p h SER 93 N -0.19 0.00 0.75 3.42 0.02 -2.05 -3.31 113.55 112.20 1m4p h SER 93 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1m4p h SER 93 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1m4p h SER 93 CO 0.08 0.37 -1.03 -0.24 -1.14 0.00 0.00 176.83 174.87 1m4p n SER 94 N -2.85 0.69 -4.54 3.07 2.88 -1.26 -4.93 113.62 106.67 1m4p n SER 94 Ca -0.05 0.14 -0.28 0.00 -1.33 0.00 0.00 58.87 57.34 1m4p n SER 94 Cb 0.73 0.61 0.23 0.00 -0.75 0.00 0.00 64.21 65.03 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 -3.30 -0.58 -0.38 -1.46 1.00 -1.25 -4.30 119.30 109.03 1m4p s MET 95 Ca 0.01 0.70 0.02 0.00 0.00 0.00 0.00 55.69 56.42 1m4p s MET 95 Cb 0.12 -1.60 0.15 0.00 0.00 0.00 0.00 34.83 33.49 1m4p s MET 95 CO 0.79 -3.46 0.26 0.99 0.00 0.00 0.00 175.02 173.60 1m4p s THR 96 N -2.63 0.32 0.40 2.05 2.01 -1.23 -4.92 115.64 111.65 1m4p s THR 96 Ca 0.68 -2.11 -0.22 0.00 0.31 0.00 0.00 61.69 60.35 1m4p s THR 96 Cb -0.23 -1.24 -0.14 0.00 0.01 0.00 0.00 72.50 70.90 1m4p s THR 96 CO 0.62 -1.07 0.31 -0.38 -0.69 0.00 0.00 174.62 173.42 1m4p n ILE 97 N 3.59 1.22 -4.00 1.82 5.41 -1.26 -3.83 119.36 122.31 1m4p n ILE 97 Ca 0.18 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 63.12 1m4p n ILE 97 Cb 0.40 -0.24 -0.15 0.00 -0.71 0.00 0.00 39.64 38.95 1m4p n ILE 97 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1m4p s LYS 98 N -1.26 1.49 0.33 0.38 2.36 -1.13 -4.92 119.74 116.99 1m4p s LYS 98 Ca 0.61 -1.91 -0.29 0.00 -2.55 0.00 0.00 55.97 51.84 1m4p s LYS 98 Cb -0.64 -3.16 -0.10 0.00 -1.05 0.00 0.00 37.83 32.88 1m4p s LYS 98 CO 0.60 -0.96 1.39 0.95 1.55 0.00 0.00 175.35 178.88 1m4p s THR 99 N 0.83 2.49 0.00 3.43 -4.23 -1.26 -4.75 115.64 112.15 1m4p s THR 99 Ca 0.11 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1m4p s THR 99 Cb -0.20 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1m4p s THR 99 CO -0.08 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1m4p n GLY 100 N 0.93 4.05 0.11 3.99 0.00 -1.16 -4.99 105.19 108.12 1m4p n GLY 100 Ca 0.01 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.36 -0.03 1.61 5.02 -1.26 -4.41 118.16 119.46 1m4p n LYS 101 Ca 0.00 -0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.05 1m4p n LYS 101 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 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 -1.14 0.00 -1.79 2.13 8.25 -1.26 -4.75 115.22 116.66 1m4p n HIS 102 Ca 0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.24 1m4p n HIS 102 Cb 0.34 -0.18 0.04 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.82 3.86 -0.03 1.59 1.01 -1.26 -2.67 120.40 121.10 1m4p s VAL 103 Ca -0.10 0.61 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1m4p s VAL 103 Cb 0.01 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1m4p s VAL 103 CO 0.15 -0.79 -0.09 -0.67 0.00 0.00 0.00 175.10 173.70 1m4p n ASP 104 N -3.01 0.73 0.00 3.32 2.03 -1.25 -2.98 116.55 115.39 1m4p n ASP 104 Ca 0.07 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1m4p n ASP 104 Cb 0.56 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 -3.21 0.00 0.25 -1.67 0.00 -1.26 -4.58 120.51 110.04 1m4p n ALA 105 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1m4p n ALA 105 Cb 0.13 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.11 1m4p n ALA 105 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1m4p h ASN 106 N 0.00 0.00 0.00 0.00 -1.24 -2.01 -3.46 115.58 108.86 1m4p h ASN 106 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1m4p h ASN 106 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1m4p h ASN 106 CO 0.00 0.10 0.00 0.61 -1.29 0.00 0.00 177.43 176.85 1m4p n GLY 107 N 0.22 0.95 3.61 1.57 0.00 -1.26 -4.94 105.19 105.35 1m4p n GLY 107 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.71 3.97 0.57 1.61 -2.85 -1.26 0.36 119.74 121.43 1m4p s LYS 108 Ca 0.00 -0.33 -0.19 0.00 -1.00 0.00 0.00 55.97 54.45 1m4p s LYS 108 Cb 0.00 -3.44 -0.05 0.00 -2.06 0.00 0.00 37.83 32.28 1m4p s LYS 108 CO 0.00 0.05 1.17 0.42 0.10 0.00 0.00 175.35 177.09 1m4p s ILE 109 N 1.06 2.86 -0.09 3.79 1.01 -0.89 -3.97 121.20 124.97 1m4p s ILE 109 Ca 0.06 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.30 1m4p s ILE 109 Cb -0.14 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1m4p s ILE 109 CO 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 174.94 174.85 1m4p n TYR 110 N -1.44 0.00 -1.68 3.97 9.36 -1.09 -4.86 117.16 121.42 1m4p n TYR 110 Ca 0.13 0.00 -0.61 0.00 3.32 0.00 0.00 57.90 60.74 1m4p n TYR 110 Cb 0.50 -0.40 -0.08 0.00 -0.63 0.00 0.00 39.34 38.73 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 -2.48 1.57 -3.07 2.98 7.99 -1.26 -4.73 117.00 117.99 1m4p n LEU 111 Ca -0.15 1.13 -0.26 0.00 -0.01 0.00 0.00 56.01 56.72 1m4p n LEU 111 Cb 0.74 -1.02 -0.04 0.00 -0.11 0.00 0.00 43.42 42.99 1m4p n LEU 111 CO 0.15 -0.84 2.60 -0.81 -1.51 0.00 0.00 177.39 176.98 1m4p n PRO 112 N 4.04 2.60 -0.15 3.23 -0.04 -1.26 -4.63 135.00 138.80 1m4p n PRO 112 Ca 0.26 -1.63 0.27 0.00 -0.04 0.00 0.00 63.50 62.37 1m4p n PRO 112 Cb 0.06 -2.49 0.56 0.00 -0.04 0.00 0.00 33.50 31.58 1m4p n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4p h TYR 113 N 5.45 0.00 0.14 0.54 -1.99 -1.93 1.44 116.97 120.62 1m4p h TYR 113 Ca 0.59 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 61.12 1m4p h TYR 113 Cb 0.35 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.10 1m4p h TYR 113 CO 1.88 0.00 -0.84 1.25 -0.00 0.00 0.00 178.16 180.45 1m4p h LEU 114 N 0.00 0.49 -3.85 3.88 6.46 -1.92 -3.28 115.31 117.10 1m4p h LEU 114 Ca 0.42 -0.94 -0.58 0.00 -0.12 0.00 0.00 57.88 56.67 1m4p h LEU 114 Cb 2.40 -0.16 -0.25 0.00 -0.73 0.00 0.00 40.66 41.92 1m4p h LEU 114 CO -0.00 1.40 0.74 1.57 -0.62 0.00 0.00 178.44 181.53 1m4p n HIS 115 N -4.11 2.75 0.00 1.25 -0.00 0.47 -4.21 115.22 111.37 1m4p n HIS 115 Ca -0.14 -2.71 0.00 0.00 0.46 0.00 0.00 57.72 55.33 1m4p n HIS 115 Cb 0.83 -1.31 0.00 0.00 -0.12 0.00 0.00 29.99 29.39 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 -0.56 0.00 0.00 1.57 2.13 0.03 -4.89 120.64 118.91 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 0.65 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.36 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 -1.62 0.00 -4.32 4.31 -0.00 -1.24 -4.86 117.44 109.71 1m4p n TRP 117 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.13 1m4p n TRP 117 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 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 -0.48 -2.16 -0.20 5.87 4.81 -1.26 -4.79 118.16 119.95 1m4p n LYS 118 Ca 0.00 0.27 -0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1m4p n LYS 118 Cb 0.00 -4.78 0.10 0.00 0.02 0.00 0.00 35.03 30.37 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 -1.35 0.39 -0.01 5.64 2.76 -1.94 -3.45 115.15 117.18 1m4p h HIS 119 Ca -0.60 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.54 1m4p h HIS 119 Cb 1.39 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1m4p h HIS 119 CO 0.64 0.10 -0.21 -1.00 -1.30 0.00 0.00 177.93 176.16 1m4p h PRO 120 N 0.41 0.16 0.00 5.26 0.13 -2.03 -3.49 132.00 132.44 1m4p h PRO 120 Ca 0.30 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1m4p h PRO 120 Cb 0.36 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1m4p h PRO 120 CO -0.30 0.87 0.00 0.94 -0.23 0.00 0.00 178.00 179.29 1m4p n GLN 121 N -4.54 0.00 -0.82 0.86 0.00 -1.26 -4.78 117.38 106.84 1m4p n GLN 121 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.57 1m4p n GLN 121 Cb 0.47 0.00 0.11 0.00 0.00 0.00 0.00 30.24 30.82 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4p n SER 122 N 0.09 -2.84 -4.17 1.69 2.88 -1.26 -5.02 113.62 104.99 1m4p n SER 122 Ca 0.00 0.23 -0.19 0.00 -1.33 0.00 0.00 58.87 57.58 1m4p n SER 122 Cb 0.00 -1.07 -0.10 0.00 -0.75 0.00 0.00 64.21 62.29 1m4p n SER 122 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1m4p s ASP 123 N -1.79 1.56 0.31 -3.46 1.11 -1.26 -4.95 116.67 108.20 1m4p s ASP 123 Ca 0.53 -1.48 0.06 0.00 0.18 0.00 0.00 52.55 51.84 1m4p s ASP 123 Cb -0.18 0.27 0.83 0.00 1.07 0.00 0.00 42.92 44.91 1m4p s ASP 123 CO 0.70 -0.80 1.63 0.25 1.18 0.00 0.00 175.17 178.13 1m4p h LEU 124 N 2.24 0.04 -0.20 1.23 5.85 -1.95 1.68 115.31 124.20 1m4p h LEU 124 Ca -0.36 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1m4p h LEU 124 Cb 1.25 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1m4p h LEU 124 CO 0.57 -0.21 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.39 1m4p h LEU 125 N 0.18 0.35 -1.72 2.25 4.07 -1.95 -2.60 115.31 115.89 1m4p h LEU 125 Ca 0.62 -0.31 -0.04 0.00 0.08 0.00 0.00 57.88 58.23 1m4p h LEU 125 Cb 1.32 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.96 1m4p h LEU 125 CO -0.70 0.58 -0.18 1.23 -1.08 0.00 0.00 178.44 178.30 1m4p h GLY 126 N 0.12 0.00 0.88 0.83 0.00 0.18 -1.54 103.07 103.53 1m4p h GLY 126 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1m4p h GLY 126 CO 0.01 0.00 -0.42 -2.00 0.00 0.00 0.00 176.54 174.13 1m4p h LEU 127 N 0.00 -1.00 -2.18 3.11 6.46 0.24 0.18 115.31 122.12 1m4p h LEU 127 Ca -0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1m4p h LEU 127 Cb 0.36 0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1m4p h LEU 127 CO 0.02 -0.67 0.05 0.40 -0.62 0.00 0.00 178.44 177.63 1m4p h ILE 128 N -1.28 0.76 -0.57 4.05 2.04 -1.35 -0.42 117.51 120.74 1m4p h ILE 128 Ca -0.12 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1m4p h ILE 128 Cb 0.90 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1m4p h ILE 128 CO 0.20 0.00 -0.00 -0.61 0.00 0.00 0.00 178.15 177.74 1m4p h GLN 129 N 0.00 1.02 -0.19 2.37 5.75 -0.82 -0.98 115.11 122.26 1m4p h GLN 129 Ca 0.03 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1m4p h GLN 129 Cb 0.13 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1m4p h GLN 129 CO -0.00 1.01 0.12 0.28 -2.65 0.00 0.00 178.83 177.59 1m4p h VAL 130 N 0.90 1.06 -0.61 2.39 2.07 0.76 -1.64 116.25 121.18 1m4p h VAL 130 Ca 0.16 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1m4p h VAL 130 Cb 0.55 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1m4p h VAL 130 CO 0.03 0.05 0.32 -0.03 0.02 0.00 0.00 177.57 177.96 1m4p h MET 131 N 0.25 0.85 -0.02 1.57 1.85 -1.32 -0.78 114.93 117.33 1m4p h MET 131 Ca 0.07 -0.10 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 1m4p h MET 131 Cb -0.02 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 1m4p h MET 131 CO -0.01 0.64 -0.13 0.82 -0.40 0.00 0.00 176.91 177.83 1m4p h ILE 132 N 0.86 1.11 -0.16 1.77 2.04 -0.54 1.44 117.51 124.02 1m4p h ILE 132 Ca 0.22 -0.50 -0.19 0.00 1.00 0.00 0.00 64.86 65.38 1m4p h ILE 132 Cb 0.05 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1m4p h ILE 132 CO -0.03 0.15 -0.68 0.58 0.00 0.00 0.00 178.15 178.17 1m4p h VAL 133 N 0.04 1.32 0.10 1.67 2.07 -0.24 0.21 116.25 121.40 1m4p h VAL 133 Ca 0.01 -1.94 -0.19 0.00 0.82 0.00 0.00 66.70 65.40 1m4p h VAL 133 Cb 0.25 1.91 0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1m4p h VAL 133 CO 0.02 0.61 -0.80 0.58 0.02 0.00 0.00 177.57 177.99 1m4p h VAL 134 N 0.46 1.46 -0.25 2.57 2.07 -0.64 -2.78 116.25 119.15 1m4p h VAL 134 Ca -0.02 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1m4p h VAL 134 Cb 1.27 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1m4p h VAL 134 CO 0.13 0.68 0.00 0.49 0.02 0.00 0.00 177.57 178.90 1m4p n PHE 135 N -4.12 0.70 -0.03 1.57 3.01 0.48 -3.55 117.46 115.52 1m4p n PHE 135 Ca -0.13 -0.26 -0.04 0.00 1.01 0.00 0.00 57.45 58.03 1m4p n PHE 135 Cb 0.79 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 40.05 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 0.46 -0.12 0.10 1.37 0.00 0.74 -4.66 105.19 103.09 1m4p n GLY 136 Ca 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1m4p n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m4p h ASP 137 N 0.00 -0.19 -2.49 1.61 5.19 -1.57 -3.44 116.42 115.52 1m4p h ASP 137 Ca -0.14 0.01 -0.47 0.00 -0.62 0.00 0.00 57.03 55.81 1m4p h ASP 137 Cb 1.24 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1m4p h ASP 137 CO -0.02 0.02 -0.29 -1.61 -3.12 0.00 0.00 179.24 174.22 1m4p s GLU 138 N -2.35 3.43 -0.33 3.56 2.02 -1.23 -5.04 118.70 118.75 1m4p s GLU 138 Ca -0.03 -0.55 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 1m4p s GLU 138 Cb 0.00 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1m4p s GLU 138 CO 0.10 0.24 1.37 -1.25 0.02 0.00 0.00 175.26 175.74 1m4p s PRO 139 N -4.18 3.79 0.34 0.39 0.04 -1.26 -4.57 135.00 129.55 1m4p s PRO 139 Ca 0.38 1.19 0.18 0.00 0.04 0.00 0.00 61.00 62.79 1m4p s PRO 139 Cb -0.09 -3.94 0.47 0.00 0.04 0.00 0.00 34.50 30.97 1m4p s PRO 139 CO 0.33 -1.28 1.63 -1.00 0.04 0.00 0.00 177.00 176.71 1m4p h PRO 140 N 9.91 0.00 0.00 0.56 0.13 -1.88 -3.41 132.00 137.31 1m4p h PRO 140 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1m4p h PRO 140 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.13 1m4p h PRO 140 CO 1.05 0.42 0.02 1.55 -0.23 0.00 0.00 178.00 180.81 1m4p n VAL 141 N -3.40 0.00 -1.68 1.56 3.14 -1.26 -2.84 118.33 113.84 1m4p n VAL 141 Ca 0.01 -0.78 -0.45 0.00 -2.96 0.00 0.00 64.34 60.16 1m4p n VAL 141 Cb 0.59 1.04 -0.04 0.00 -1.06 0.00 0.00 33.84 34.38 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 0.27 2.47 -2.56 1.45 1.16 -1.25 -4.16 117.46 114.83 1m4p n PHE 142 Ca -0.08 -0.02 -0.24 0.00 -1.87 0.00 0.00 57.45 55.24 1m4p n PHE 142 Cb 0.74 -2.67 0.11 0.00 -1.61 0.00 0.00 39.48 36.05 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1m4p s SER 143 N 2.67 4.25 0.30 5.98 0.15 -1.26 -3.49 113.70 122.31 1m4p s SER 143 Ca 0.84 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 57.04 1m4p s SER 143 Cb -0.58 0.02 -0.07 0.00 -1.71 0.00 0.00 66.02 63.69 1m4p s SER 143 CO 0.41 -1.93 0.63 0.00 1.20 0.00 0.00 173.24 173.54 1m4p s ARG 144 N -5.19 3.76 0.00 5.44 1.70 -1.26 -4.95 118.95 118.45 1m4p s ARG 144 Ca 0.67 0.28 0.24 0.00 -0.47 0.00 0.00 55.73 56.45 1m4p s ARG 144 Cb -0.05 -2.56 1.43 0.00 -0.57 0.00 0.00 34.95 33.20 1m4p s ARG 144 CO 0.45 0.18 1.79 -0.35 -1.08 0.00 0.00 175.30 176.29