#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 0.56 0.00 3.14 -1.26 -3.06 118.33 117.70 1m4p n VAL 3 Ca 0.00 -0.08 0.13 0.00 -2.96 0.00 0.00 64.34 61.42 1m4p n VAL 3 Cb 0.00 -0.14 0.32 0.00 -1.06 0.00 0.00 33.84 32.95 1m4p n VAL 3 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1m4p h SER 4 N 0.79 0.00 -0.97 6.55 0.02 -1.99 -3.33 113.55 114.62 1m4p h SER 4 Ca 0.00 -0.05 0.27 0.00 -0.84 0.00 0.00 61.79 61.17 1m4p h SER 4 Cb 0.20 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.57 1m4p h SER 4 CO 0.00 0.02 0.06 -0.08 -1.14 0.00 0.00 176.83 175.70 1m4p h GLU 5 N 0.00 0.03 -0.75 3.45 4.22 -1.96 1.85 114.58 121.42 1m4p h GLU 5 Ca 0.00 -0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.45 1m4p h GLU 5 Cb 0.78 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1m4p h GLU 5 CO 0.00 0.02 0.49 0.77 -2.18 0.00 0.00 179.01 178.10 1m4p h SER 6 N 0.03 0.83 1.61 1.04 0.02 -1.86 -0.78 113.55 114.44 1m4p h SER 6 Ca 0.60 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.51 1m4p h SER 6 Cb 1.25 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1m4p h SER 6 CO -0.89 0.59 -0.09 -0.61 -1.14 0.00 0.00 176.83 174.69 1m4p h GLN 7 N 0.98 0.00 -0.42 3.45 -0.00 0.19 -3.08 115.11 116.23 1m4p h GLN 7 Ca 0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.86 1m4p h GLN 7 Cb -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.39 1m4p h GLN 7 CO -0.08 0.09 -0.04 1.25 0.00 0.00 0.00 178.83 180.05 1m4p h LEU 8 N 0.00 0.68 -1.16 -2.39 5.85 0.35 0.19 115.31 118.82 1m4p h LEU 8 Ca -0.00 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1m4p h LEU 8 Cb 0.92 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1m4p h LEU 8 CO 0.01 0.78 -0.18 0.50 -0.34 0.00 0.00 178.44 179.21 1m4p h LYS 9 N 0.66 0.36 0.00 1.25 3.64 -1.32 -0.92 116.57 120.24 1m4p h LYS 9 Ca 0.13 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1m4p h LYS 9 Cb 0.47 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1m4p h LYS 9 CO 0.02 0.54 -0.32 1.63 -2.27 0.00 0.00 179.45 179.05 1m4p n LYS 10 N -4.19 0.08 0.07 1.90 5.02 -0.75 -3.48 118.16 116.81 1m4p n LYS 10 Ca -0.00 0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1m4p n LYS 10 Cb 0.33 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1m4p n LYS 10 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1m4p h MET 11 N 0.00 0.00 0.00 1.97 4.05 0.72 -3.43 114.93 118.24 1m4p h MET 11 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1m4p h MET 11 Cb 0.57 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1m4p h MET 11 CO 0.00 0.86 0.00 1.33 0.23 0.00 0.00 176.91 179.33 1m4p n VAL 12 N -3.30 0.00 -1.96 -5.77 0.24 -0.88 -4.83 118.33 101.83 1m4p n VAL 12 Ca -0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 1m4p n VAL 12 Cb 0.91 -0.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.24 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 -2.33 -2.82 -1.34 2.88 -1.23 -4.72 113.62 104.05 1m4p n SER 13 Ca 0.00 0.27 -0.11 0.00 -1.33 0.00 0.00 58.87 57.70 1m4p n SER 13 Cb 0.00 -2.18 0.06 0.00 -0.75 0.00 0.00 64.21 61.34 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 -2.19 1.05 -3.74 -1.46 4.81 -1.26 -5.11 118.16 110.26 1m4p n LYS 14 Ca -0.08 -2.33 -0.13 0.00 -0.87 0.00 0.00 58.31 54.90 1m4p n LYS 14 Cb 0.43 -1.03 -0.09 0.00 0.02 0.00 0.00 35.03 34.35 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 -0.59 -0.29 0.29 5.64 2.02 -1.26 -5.00 117.35 118.16 1m4p s TYR 15 Ca 0.26 0.60 0.01 0.00 -0.37 0.00 0.00 57.07 57.57 1m4p s TYR 15 Cb 0.33 0.13 0.70 0.00 -0.40 0.00 0.00 41.96 42.72 1m4p s TYR 15 CO -0.06 -0.32 1.61 -0.22 -1.57 0.00 0.00 175.55 174.99 1m4p h LYS 16 N 4.50 0.09 -2.44 -0.62 3.64 -1.95 -2.91 116.57 116.88 1m4p h LYS 16 Ca -0.28 -0.01 -0.59 0.00 -1.27 0.00 0.00 60.65 58.50 1m4p h LYS 16 Cb 1.18 -0.02 -0.40 0.00 -0.41 0.00 0.00 32.23 32.58 1m4p h LYS 16 CO 0.35 0.06 -0.84 0.66 -2.27 0.00 0.00 179.45 177.41 1m4p n TYR 17 N -5.37 1.01 -0.35 1.91 4.01 -1.26 -4.94 117.16 112.17 1m4p n TYR 17 Ca 0.21 -3.76 -0.01 0.00 -0.16 0.00 0.00 57.90 54.18 1m4p n TYR 17 Cb 0.69 -0.23 0.14 0.00 -0.31 0.00 0.00 39.34 39.63 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 4.96 1.27 0.45 -0.72 2.43 -1.91 1.23 114.38 122.09 1m4p h ARG 18 Ca 0.18 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1m4p h ARG 18 Cb 0.82 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1m4p h ARG 18 CO 0.56 0.84 -0.22 0.38 -1.51 0.00 0.00 179.97 180.02 1m4p h ASP 19 N 1.30 -0.51 -0.45 -3.80 3.04 -1.92 1.44 116.42 115.52 1m4p h ASP 19 Ca 0.36 -0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 54.05 1m4p h ASP 19 Cb -0.14 0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 38.26 1m4p h ASP 19 CO -0.08 -0.20 0.24 0.25 -2.04 0.00 0.00 179.24 177.41 1m4p h LEU 20 N -0.84 0.60 0.34 0.15 5.85 -1.90 0.27 115.31 119.77 1m4p h LEU 20 Ca -0.06 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1m4p h LEU 20 Cb 0.56 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1m4p h LEU 20 CO 0.10 0.50 -0.16 0.74 -0.34 0.00 0.00 178.44 179.28 1m4p h THR 21 N 0.67 0.45 -0.29 1.05 2.02 0.18 0.47 112.91 117.46 1m4p h THR 21 Ca 0.17 -0.74 0.08 0.00 0.77 0.00 0.00 66.41 66.69 1m4p h THR 21 Cb 0.06 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1m4p h THR 21 CO -0.02 0.10 0.23 0.58 0.37 0.00 0.00 175.52 176.77 1m4p h VAL 22 N -0.97 0.74 0.03 3.16 2.07 0.22 0.56 116.25 122.05 1m4p h VAL 22 Ca -0.05 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 1m4p h VAL 22 Cb 0.51 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1m4p h VAL 22 CO 0.08 0.00 -0.97 -0.09 0.02 0.00 0.00 177.57 176.61 1m4p h ARG 23 N 0.00 0.16 0.06 1.57 2.43 -0.38 -1.46 114.38 116.76 1m4p h ARG 23 Ca 0.14 -0.21 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 1m4p h ARG 23 Cb 0.60 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1m4p h ARG 23 CO -0.00 1.00 -1.04 0.93 -1.51 0.00 0.00 179.97 179.35 1m4p h GLU 24 N 0.07 0.60 0.06 0.20 3.07 0.18 -2.24 114.58 116.52 1m4p h GLU 24 Ca -0.05 -0.72 -0.00 0.00 -0.50 0.00 0.00 59.36 58.08 1m4p h GLU 24 Cb 1.64 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1m4p h GLU 24 CO 0.14 1.31 -0.03 1.15 -1.40 0.00 0.00 179.01 180.19 1m4p h THR 25 N 0.21 1.18 -0.88 1.13 2.02 -0.14 -2.32 112.91 114.11 1m4p h THR 25 Ca -0.15 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.27 1m4p h THR 25 Cb 1.72 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 69.79 1m4p h THR 25 CO 0.20 0.21 0.55 -0.37 0.37 0.00 0.00 175.52 176.48 1m4p h VAL 26 N -0.45 1.04 -0.84 3.16 -1.51 -1.37 -0.19 116.25 116.09 1m4p h VAL 26 Ca -0.01 -0.34 0.08 0.00 -1.23 0.00 0.00 66.70 65.20 1m4p h VAL 26 Cb 0.40 -0.04 -0.07 0.00 -2.13 0.00 0.00 31.29 29.44 1m4p h VAL 26 CO 0.01 0.18 0.50 0.78 -1.23 0.00 0.00 177.57 177.81 1m4p h ASN 27 N 1.00 0.74 0.40 4.19 4.21 -1.29 1.42 115.58 126.24 1m4p h ASN 27 Ca 0.39 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.91 1m4p h ASN 27 Cb 0.19 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1m4p h ASN 27 CO -0.18 0.45 -0.19 0.58 -1.29 0.00 0.00 177.43 176.80 1m4p h VAL 28 N 0.86 0.00 -0.11 2.81 2.07 -0.50 -0.66 116.25 120.72 1m4p h VAL 28 Ca 0.39 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.91 1m4p h VAL 28 Cb 0.28 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1m4p h VAL 28 CO -0.21 0.00 0.20 0.16 0.02 0.00 0.00 177.57 177.73 1m4p h ILE 29 N -0.56 0.26 0.00 4.57 3.07 -1.07 0.61 117.51 124.39 1m4p h ILE 29 Ca -0.05 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.26 1m4p h ILE 29 Cb 0.41 0.82 -0.01 0.00 -0.27 0.00 0.00 36.82 37.77 1m4p h ILE 29 CO 0.09 0.00 -0.45 0.74 -1.05 0.00 0.00 178.15 177.48 1m4p h THR 30 N 0.00 1.08 0.07 0.16 2.02 0.25 1.24 112.91 117.72 1m4p h THR 30 Ca 0.05 -1.69 -0.27 0.00 0.77 0.00 0.00 66.41 65.27 1m4p h THR 30 Cb 0.45 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1m4p h THR 30 CO -0.00 0.44 -1.46 0.25 0.37 0.00 0.00 175.52 175.12 1m4p h LEU 31 N 0.00 0.22 0.00 2.58 5.85 0.17 -3.42 115.31 120.71 1m4p h LEU 31 Ca -0.00 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.97 1m4p h LEU 31 Cb 0.94 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.90 1m4p h LEU 31 CO 0.06 1.61 -0.24 1.88 -0.34 0.00 0.00 178.44 181.42 1m4p h TYR 32 N -0.51 0.00 0.00 1.25 0.05 -0.98 -3.48 116.97 113.30 1m4p h TYR 32 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.43 1m4p h TYR 32 Cb 1.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.36 1m4p h TYR 32 CO 0.11 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.39 1m4p n LYS 33 N -3.84 0.00 -0.03 4.88 4.81 0.43 -4.84 118.16 119.57 1m4p n LYS 33 Ca -0.03 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.42 1m4p n LYS 33 Cb 0.12 -2.32 -0.10 0.00 0.02 0.00 0.00 35.03 32.76 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 2.01 -4.76 3.14 10.43 -1.26 -4.66 116.55 121.45 1m4p n ASP 34 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 1m4p n ASP 34 Cb 0.00 1.24 -0.04 0.00 1.84 0.00 0.00 41.12 44.16 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1m4p s LEU 35 N -4.35 4.53 -0.19 0.64 2.96 -1.26 -3.58 118.68 117.43 1m4p s LEU 35 Ca -0.05 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 1m4p s LEU 35 Cb 0.06 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.16 1m4p s LEU 35 CO 0.52 -0.21 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.46 1m4p s LYS 36 N -1.32 2.26 0.03 1.98 2.20 0.43 -4.81 119.74 120.51 1m4p s LYS 36 Ca 0.46 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1m4p s LYS 36 Cb -0.33 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 1m4p s LYS 36 CO 0.42 -0.35 1.18 -1.25 -0.36 0.00 0.00 175.35 174.99 1m4p s PRO 37 N 1.39 4.43 0.29 4.03 0.04 -1.26 -0.30 135.00 143.61 1m4p s PRO 37 Ca 0.01 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.86 1m4p s PRO 37 Cb -0.15 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 1m4p s PRO 37 CO -0.09 -0.28 -0.12 0.54 0.04 0.00 0.00 177.00 177.09 1m4p s VAL 38 N 1.30 2.11 -0.04 -0.36 0.11 0.21 -4.94 120.40 118.79 1m4p s VAL 38 Ca 0.57 -2.25 0.04 0.00 -2.93 0.00 0.00 61.98 57.41 1m4p s VAL 38 Cb -0.28 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 1m4p s VAL 38 CO 0.28 -0.33 -0.13 -0.22 -3.33 0.00 0.00 175.10 171.36 1m4p s LEU 39 N -3.50 2.79 0.02 2.54 1.98 -1.26 -0.77 118.68 120.48 1m4p s LEU 39 Ca 0.30 -0.19 -0.05 0.00 -2.89 0.00 0.00 54.13 51.29 1m4p s LEU 39 Cb 0.00 -1.58 -0.01 0.00 0.66 0.00 0.00 46.19 45.26 1m4p s LEU 39 CO 0.14 0.34 0.09 1.51 -1.89 0.00 0.00 176.35 176.54 1m4p s ASP 40 N -0.84 0.13 -0.09 3.68 1.47 0.19 -4.94 116.67 116.28 1m4p s ASP 40 Ca 0.12 -0.41 -0.01 0.00 1.18 0.00 0.00 52.55 53.43 1m4p s ASP 40 Cb -0.11 0.20 0.03 0.00 -0.34 0.00 0.00 42.92 42.70 1m4p s ASP 40 CO 0.01 -0.43 -0.02 -0.55 0.68 0.00 0.00 175.17 174.87 1m4p s SER 41 N -1.75 1.81 0.20 2.11 0.15 -1.26 0.13 113.70 115.10 1m4p s SER 41 Ca -0.10 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.42 1m4p s SER 41 Cb -0.05 -0.57 -0.05 0.00 -1.71 0.00 0.00 66.02 63.64 1m4p s SER 41 CO -0.02 -0.17 -0.08 -0.47 1.20 0.00 0.00 173.24 173.70 1m4p s TYR 42 N 1.89 1.53 0.08 3.44 6.14 -0.72 -4.74 117.35 124.97 1m4p s TYR 42 Ca 0.05 -0.76 -0.27 0.00 0.64 0.00 0.00 57.07 56.73 1m4p s TYR 42 Cb -0.12 -0.81 -0.06 0.00 0.42 0.00 0.00 41.96 41.39 1m4p s TYR 42 CO -0.06 0.13 0.85 0.14 0.64 0.00 0.00 175.55 177.24 1m4p s VAL 43 N -3.24 4.60 0.24 3.14 -7.23 -1.26 0.16 120.40 116.80 1m4p s VAL 43 Ca 0.23 1.82 0.00 0.00 -1.81 0.00 0.00 61.98 62.22 1m4p s VAL 43 Cb 0.03 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.77 1m4p s VAL 43 CO 0.06 0.36 0.00 0.49 -0.31 0.00 0.00 175.10 175.70 1m4p n PHE 44 N 2.67 -2.07 -1.55 2.82 3.72 -0.95 -4.63 117.46 117.47 1m4p n PHE 44 Ca -0.01 0.37 -0.21 0.00 -0.05 0.00 0.00 57.45 57.55 1m4p n PHE 44 Cb 0.50 0.57 -0.09 0.00 -0.94 0.00 0.00 39.48 39.52 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 -3.29 1.41 -2.12 4.37 3.02 -1.25 -2.15 115.26 115.25 1m4p n ASN 45 Ca 0.00 -1.05 -0.07 0.00 -0.03 0.00 0.00 54.58 53.44 1m4p n ASN 45 Cb 0.00 -1.46 -0.01 0.00 -0.61 0.00 0.00 39.78 37.70 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 15.91 -2.34 -0.76 6.41 -0.08 -1.26 -1.60 116.55 132.84 1m4p n ASP 46 Ca 0.48 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 54.05 1m4p n ASP 46 Cb 0.40 -2.15 0.00 0.00 2.34 0.00 0.00 41.12 41.71 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1m4p n GLY 47 N -0.52 0.82 2.70 0.27 0.00 -0.91 -5.10 105.19 102.46 1m4p n GLY 47 Ca -0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4p s SER 48 N -2.44 2.50 0.12 1.61 0.01 -0.63 -4.77 113.70 110.11 1m4p s SER 48 Ca 0.00 -0.63 -0.33 0.00 1.31 0.00 0.00 55.95 56.30 1m4p s SER 48 Cb 0.00 -0.46 -0.18 0.00 0.21 0.00 0.00 66.02 65.59 1m4p s SER 48 CO 0.00 -0.30 0.77 -0.24 0.41 0.00 0.00 173.24 173.88 1m4p n SER 49 N 5.14 -0.60 -3.81 2.44 2.88 -1.25 -2.25 113.62 116.17 1m4p n SER 49 Ca -0.08 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.48 1m4p n SER 49 Cb 0.48 -0.96 -0.13 0.00 -0.75 0.00 0.00 64.21 62.85 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 -0.60 0.11 0.08 -1.46 3.00 0.42 -4.84 118.95 115.66 1m4p s ARG 50 Ca 0.75 0.20 -0.31 0.00 -1.00 0.00 0.00 55.73 55.37 1m4p s ARG 50 Cb -1.05 -0.01 -0.08 0.00 0.00 0.00 0.00 34.95 33.81 1m4p s ARG 50 CO 0.56 -0.06 1.44 -1.21 0.00 0.00 0.00 175.30 176.04 1m4p s GLU 51 N 0.37 4.28 -0.01 5.12 2.02 -1.26 -1.76 118.70 127.47 1m4p s GLU 51 Ca -0.03 2.11 -0.05 0.00 0.02 0.00 0.00 54.97 57.02 1m4p s GLU 51 Cb -0.04 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.82 1m4p s GLU 51 CO -0.01 -0.53 0.11 -1.17 0.02 0.00 0.00 175.26 173.68 1m4p s LEU 52 N 1.64 1.65 0.16 1.80 0.20 0.35 -4.97 118.68 119.51 1m4p s LEU 52 Ca 0.66 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 55.37 1m4p s LEU 52 Cb -0.36 0.53 -0.03 0.00 -0.43 0.00 0.00 46.19 45.89 1m4p s LEU 52 CO 0.30 -0.28 0.28 -0.32 -0.29 0.00 0.00 176.35 176.04 1m4p s MET 53 N -1.03 3.41 -0.07 1.98 1.75 -1.26 0.55 119.30 124.63 1m4p s MET 53 Ca -0.11 -0.64 -0.18 0.00 -1.25 0.00 0.00 55.69 53.51 1m4p s MET 53 Cb -0.06 -2.94 0.04 0.00 2.84 0.00 0.00 34.83 34.71 1m4p s MET 53 CO 0.01 0.51 0.41 0.54 -0.65 0.00 0.00 175.02 175.84 1m4p s ASN 54 N -3.33 -0.36 -0.05 1.11 4.22 0.05 -1.04 114.94 115.54 1m4p s ASN 54 Ca 0.34 0.46 -0.06 0.00 -2.14 0.00 0.00 52.86 51.46 1m4p s ASN 54 Cb -0.11 0.54 -0.04 0.00 1.28 0.00 0.00 41.25 42.92 1m4p s ASN 54 CO 0.28 -0.37 0.19 -0.76 -2.04 0.00 0.00 177.10 174.40 1m4p s LEU 55 N -0.78 4.38 -0.22 3.54 2.01 0.21 0.67 118.68 128.49 1m4p s LEU 55 Ca -0.09 0.47 -0.17 0.00 0.01 0.00 0.00 54.13 54.35 1m4p s LEU 55 Cb -0.04 -2.39 0.06 0.00 0.01 0.00 0.00 46.19 43.84 1m4p s LEU 55 CO 0.04 0.33 0.58 0.28 1.01 0.00 0.00 176.35 178.58 1m4p s THR 56 N -1.18 -0.00 -2.53 5.49 -1.32 0.58 -1.97 115.64 114.71 1m4p s THR 56 Ca 0.22 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1m4p s THR 56 Cb -0.13 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1m4p s THR 56 CO 0.12 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1m4p n GLY 57 N 3.41 -1.76 3.32 6.08 0.00 -1.15 0.16 105.19 115.24 1m4p n GLY 57 Ca -0.17 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.38 4.10 0.09 2.61 -4.23 -1.23 -0.75 115.64 113.85 1m4p s THR 58 Ca 0.00 -1.02 -0.24 0.00 -1.18 0.00 0.00 61.69 59.26 1m4p s THR 58 Cb 0.00 -3.31 -0.06 0.00 1.34 0.00 0.00 72.50 70.47 1m4p s THR 58 CO 0.00 -0.20 0.72 -0.63 -0.54 0.00 0.00 174.62 173.97 1m4p s ILE 59 N 1.46 4.63 -0.38 2.99 1.01 0.23 -4.65 121.20 126.49 1m4p s ILE 59 Ca -0.00 1.55 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 1m4p s ILE 59 Cb -0.19 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1m4p s ILE 59 CO 0.04 0.45 1.40 -2.16 0.00 0.00 0.00 174.94 174.67 1m4p s PRO 60 N -0.60 3.66 -0.30 2.79 0.04 -1.26 -0.14 135.00 139.19 1m4p s PRO 60 Ca 0.35 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 62.35 1m4p s PRO 60 Cb -0.21 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1m4p s PRO 60 CO 0.23 -1.46 0.10 0.08 0.04 0.00 0.00 177.00 175.99 1m4p s VAL 61 N 5.19 4.13 0.16 -0.36 1.01 0.11 -4.92 120.40 125.72 1m4p s VAL 61 Ca 0.61 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 1m4p s VAL 61 Cb -0.15 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 1m4p s VAL 61 CO 0.30 0.09 1.13 -2.16 0.00 0.00 0.00 175.10 174.46 1m4p s PRO 62 N 1.53 4.55 0.23 2.72 0.04 -1.26 -0.59 135.00 142.23 1m4p s PRO 62 Ca 0.03 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1m4p s PRO 62 Cb -0.17 -3.28 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1m4p s PRO 62 CO 0.03 -0.00 0.03 0.98 0.04 0.00 0.00 177.00 178.08 1m4p n TYR 63 N 2.64 0.38 -1.09 0.56 9.36 0.48 -4.81 117.16 124.68 1m4p n TYR 63 Ca 0.04 -1.28 -0.15 0.00 3.32 0.00 0.00 57.90 59.83 1m4p n TYR 63 Cb 0.46 -0.10 -0.12 0.00 -0.63 0.00 0.00 39.34 38.95 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 -0.56 2.02 0.00 2.98 0.63 -1.26 -3.44 116.66 117.03 1m4p n ARG 64 Ca -0.07 -1.30 0.00 0.00 -0.92 0.00 0.00 57.85 55.56 1m4p n ARG 64 Cb 0.32 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.28 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 1.92 0.02 2.24 5.14 0.00 -1.26 -5.16 105.19 108.10 1m4p n GLY 65 Ca 0.41 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.39 -0.74 -4.14 1.61 0.23 -1.22 -5.12 115.26 105.49 1m4p n ASN 66 Ca 0.00 -1.21 -0.35 0.00 -0.53 0.00 0.00 54.58 52.49 1m4p n ASN 66 Cb 0.00 1.16 -0.13 0.00 -2.08 0.00 0.00 39.78 38.73 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 -2.11 3.10 0.00 5.53 2.01 -1.26 0.18 115.64 123.09 1m4p s THR 67 Ca 0.16 -1.78 0.00 0.00 0.31 0.00 0.00 61.69 60.38 1m4p s THR 67 Cb -0.01 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1m4p s THR 67 CO 0.00 -0.43 0.00 -1.22 -0.69 0.00 0.00 174.62 172.28 1m4p n TYR 68 N 4.58 -3.01 -3.87 4.92 4.02 0.24 -4.70 117.16 119.34 1m4p n TYR 68 Ca -0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.56 1m4p n TYR 68 Cb 0.42 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.57 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 2.22 -0.05 7.72 0.01 -1.26 -0.71 114.94 121.87 1m4p s ASN 69 Ca 0.00 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 1m4p s ASN 69 Cb 0.00 -0.76 -0.03 0.00 0.41 0.00 0.00 41.25 40.86 1m4p s ASN 69 CO 0.00 -0.16 -0.02 -0.51 -1.51 0.00 0.00 177.10 174.91 1m4p s ILE 70 N 1.75 4.08 0.41 0.60 1.10 0.80 -4.83 121.20 125.12 1m4p s ILE 70 Ca 0.04 -0.45 -0.23 0.00 -0.51 0.00 0.00 60.65 59.49 1m4p s ILE 70 Cb -0.13 -2.74 -0.09 0.00 0.15 0.00 0.00 42.46 39.65 1m4p s ILE 70 CO -0.08 0.52 1.05 -2.16 -2.11 0.00 0.00 174.94 172.16 1m4p s PRO 71 N -1.12 4.11 0.04 3.50 0.04 -1.26 0.74 135.00 141.04 1m4p s PRO 71 Ca 0.15 1.50 0.02 0.00 0.04 0.00 0.00 61.00 62.71 1m4p s PRO 71 Cb -0.11 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 1m4p s PRO 71 CO 0.05 -0.19 -0.07 0.42 0.04 0.00 0.00 177.00 177.25 1m4p s ILE 72 N -1.69 0.50 -0.21 0.56 -1.09 0.08 -4.06 121.20 115.28 1m4p s ILE 72 Ca 0.59 -1.10 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 1m4p s ILE 72 Cb -0.21 -0.62 0.07 0.00 -1.58 0.00 0.00 42.46 40.12 1m4p s ILE 72 CO 0.27 -0.42 0.50 0.00 -1.23 0.00 0.00 174.94 174.06 1m4p s LEU 74 N 1.75 -0.65 0.00 0.00 2.34 -0.83 -1.48 118.68 119.80 1m4p s LEU 74 Ca -0.08 1.04 -0.11 0.00 0.06 0.00 0.00 54.13 55.04 1m4p s LEU 74 Cb -0.08 2.46 0.18 0.00 -0.56 0.00 0.00 46.19 48.20 1m4p s LEU 74 CO -0.15 -0.43 1.13 0.79 -1.06 0.00 0.00 176.35 176.63 1m4p n TRP 75 N 1.76 -3.69 -3.35 3.48 7.02 -0.97 0.68 117.44 122.38 1m4p n TRP 75 Ca -0.17 -1.25 -0.11 0.00 -1.02 0.00 0.00 57.50 54.96 1m4p n TRP 75 Cb 0.56 -0.86 -0.08 0.00 -2.42 0.00 0.00 31.31 28.51 1m4p n TRP 75 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1m4p s LEU 76 N 0.00 -0.60 0.00 -0.99 2.96 -0.20 -4.50 118.68 115.35 1m4p s LEU 76 Ca 0.67 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1m4p s LEU 76 Cb -0.02 0.99 0.00 0.00 0.50 0.00 0.00 46.19 47.66 1m4p s LEU 76 CO 0.46 -0.33 0.00 0.18 -1.32 0.00 0.00 176.35 175.34 1m4p n LEU 77 N 5.35 0.00 -0.06 -0.68 4.77 -1.26 -4.12 117.00 120.99 1m4p n LEU 77 Ca -0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 1m4p n LEU 77 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1m4p n LEU 77 CO 0.03 -0.52 -0.19 -2.24 -1.33 0.00 0.00 177.39 173.14 1m4p h ASP 78 N -0.24 0.00 0.00 -1.43 3.04 -1.94 -3.47 116.42 112.37 1m4p h ASP 78 Ca 0.00 -0.08 -0.11 0.00 -3.24 0.00 0.00 57.03 53.60 1m4p h ASP 78 Cb 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.17 1m4p h ASP 78 CO 0.00 0.72 -0.05 1.07 -2.04 0.00 0.00 179.24 178.94 1m4p n THR 79 N -4.67 0.00 0.00 1.15 5.66 -1.26 -4.61 114.28 110.55 1m4p n THR 79 Ca -0.06 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1m4p n THR 79 Cb 0.20 1.15 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 0.93 0.00 -0.32 1.09 9.36 -1.26 -4.65 117.16 122.31 1m4p n TYR 80 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1m4p n TYR 80 Cb 0.73 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.44 1m4p n TYR 80 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1m4p n PRO 81 N 0.00 0.38 0.23 2.98 -0.04 -1.26 -4.92 135.00 132.36 1m4p n PRO 81 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1m4p n PRO 81 Cb 0.00 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.14 1m4p n PRO 81 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4p h TYR 82 N -0.66 0.00 -4.36 0.54 -1.99 -1.97 -3.42 116.97 105.10 1m4p h TYR 82 Ca 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 1m4p h TYR 82 Cb 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.59 1m4p h TYR 82 CO 0.00 0.00 -0.52 0.54 -0.00 0.00 0.00 178.16 178.18 1m4p s ASN 83 N -4.13 0.13 -0.07 3.88 2.20 -1.26 -4.80 114.94 110.88 1m4p s ASN 83 Ca -0.03 -1.25 -0.30 0.00 -0.94 0.00 0.00 52.86 50.35 1m4p s ASN 83 Cb 0.07 0.40 -0.03 0.00 -2.00 0.00 0.00 41.25 39.70 1m4p s ASN 83 CO 0.23 -0.87 1.23 -2.16 -2.94 0.00 0.00 177.10 172.58 1m4p s PRO 84 N -4.10 4.32 0.12 3.55 0.04 -1.26 -4.73 135.00 132.94 1m4p s PRO 84 Ca 0.32 1.70 0.23 0.00 0.04 0.00 0.00 61.00 63.29 1m4p s PRO 84 Cb 0.06 -3.60 0.91 0.00 0.04 0.00 0.00 34.50 31.91 1m4p s PRO 84 CO 0.09 -0.51 1.72 -0.35 0.04 0.00 0.00 177.00 177.99 1m4p n PRO 85 N 5.51 0.12 -2.95 0.56 -0.04 -1.26 -4.48 135.00 132.46 1m4p n PRO 85 Ca 0.12 0.23 -0.44 0.00 -0.04 0.00 0.00 63.50 63.37 1m4p n PRO 85 Cb 0.46 -1.68 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 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 -3.11 4.55 -0.13 0.52 1.09 -1.26 -4.98 121.20 117.88 1m4p s ILE 86 Ca 0.09 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 58.86 1m4p s ILE 86 Cb 0.12 -4.64 0.04 0.00 -1.06 0.00 0.00 42.46 36.92 1m4p s ILE 86 CO 0.45 -1.36 -0.03 0.00 -0.10 0.00 0.00 174.94 173.90 1m4p s PHE 88 N 1.79 -0.14 0.04 0.00 -0.71 -0.55 -3.38 117.98 115.03 1m4p s PHE 88 Ca 0.03 -0.18 -0.05 0.00 -1.04 0.00 0.00 56.93 55.69 1m4p s PHE 88 Cb -0.14 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.82 1m4p s PHE 88 CO -0.07 -0.66 0.27 0.54 -1.34 0.00 0.00 175.22 173.96 1m4p s VAL 89 N -3.71 5.30 -0.68 -2.49 0.11 -0.19 -1.70 120.40 117.04 1m4p s VAL 89 Ca 0.03 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.16 1m4p s VAL 89 Cb 0.02 -3.59 0.16 0.00 -1.53 0.00 0.00 36.38 31.45 1m4p s VAL 89 CO -0.11 0.26 0.46 -1.59 -3.33 0.00 0.00 175.10 170.79 1m4p s LYS 90 N -2.06 2.39 0.62 1.54 -2.85 -1.26 -4.45 119.74 113.68 1m4p s LYS 90 Ca 0.31 -3.24 -0.14 0.00 -1.00 0.00 0.00 55.97 51.90 1m4p s LYS 90 Cb -0.13 -3.41 -0.02 0.00 -2.06 0.00 0.00 37.83 32.21 1m4p s LYS 90 CO 0.20 -1.26 1.05 -1.25 0.10 0.00 0.00 175.35 174.19 1m4p s PRO 91 N -1.29 3.24 0.00 1.78 0.04 -1.26 -4.71 135.00 132.81 1m4p s PRO 91 Ca 0.24 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1m4p s PRO 91 Cb -0.08 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1m4p s PRO 91 CO -0.14 -0.87 0.00 0.25 0.04 0.00 0.00 177.00 176.28 1m4p n THR 92 N -2.37 0.00 -0.05 1.26 -2.24 -1.26 -4.98 114.28 104.64 1m4p n THR 92 Ca 0.08 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1m4p n THR 92 Cb 0.53 -1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 67.46 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 -2.13 1.09 0.19 3.42 7.64 -1.26 -4.00 113.62 118.57 1m4p n SER 93 Ca 0.00 0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.22 1m4p n SER 93 Cb 0.00 -0.04 0.42 0.00 -1.01 0.00 0.00 64.21 63.58 1m4p n SER 93 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1m4p h SER 94 N 0.02 0.00 -1.54 6.43 0.02 -2.04 -3.45 113.55 112.99 1m4p h SER 94 Ca -0.41 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 1m4p h SER 94 Cb 2.06 0.00 0.04 0.00 0.14 0.00 0.00 62.40 64.64 1m4p h SER 94 CO 0.05 0.00 -0.01 0.23 -1.14 0.00 0.00 176.83 175.96 1m4p n MET 95 N -2.76 -2.13 -3.47 3.45 2.00 -1.26 -4.63 117.12 108.32 1m4p n MET 95 Ca 0.03 -0.29 -0.19 0.00 0.00 0.00 0.00 57.70 57.25 1m4p n MET 95 Cb 0.40 -0.34 -0.12 0.00 0.00 0.00 0.00 33.22 33.16 1m4p n MET 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1m4p s THR 96 N -1.27 -0.32 0.20 2.03 2.01 -1.23 -4.95 115.64 112.11 1m4p s THR 96 Ca 0.13 -0.28 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 1m4p s THR 96 Cb -0.02 -0.80 -0.10 0.00 0.01 0.00 0.00 72.50 71.59 1m4p s THR 96 CO 0.10 -0.33 1.56 -0.63 -0.69 0.00 0.00 174.62 174.63 1m4p s ILE 97 N 2.31 2.49 -0.63 1.82 -1.09 -1.26 -3.51 121.20 121.34 1m4p s ILE 97 Ca 0.08 0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1m4p s ILE 97 Cb -0.15 -3.24 0.16 0.00 -1.58 0.00 0.00 42.46 37.65 1m4p s ILE 97 CO -0.20 0.04 0.43 -0.75 -1.23 0.00 0.00 174.94 173.23 1m4p s LYS 98 N 0.60 2.51 0.39 2.79 2.36 -1.24 -5.00 119.74 122.15 1m4p s LYS 98 Ca 0.67 -2.65 -0.27 0.00 -2.55 0.00 0.00 55.97 51.18 1m4p s LYS 98 Cb -0.44 -3.66 -0.09 0.00 -1.05 0.00 0.00 37.83 32.58 1m4p s LYS 98 CO 0.36 -1.17 1.33 0.95 1.55 0.00 0.00 175.35 178.37 1m4p s THR 99 N -0.27 2.55 -0.25 3.43 -4.23 -1.26 -4.57 115.64 111.04 1m4p s THR 99 Ca 0.18 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1m4p s THR 99 Cb -0.20 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.33 1m4p s THR 99 CO -0.04 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 1m4p n GLY 100 N 0.67 -0.84 2.22 3.99 0.00 -1.20 -4.96 105.19 105.06 1m4p n GLY 100 Ca 0.03 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 2.14 0.02 1.61 2.85 -1.26 -3.90 118.16 119.61 1m4p n LYS 101 Ca 0.00 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.26 1m4p n LYS 101 Cb 0.00 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 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 0.64 -1.86 -4.03 5.58 8.25 -1.26 -4.95 115.22 117.60 1m4p n HIS 102 Ca 0.41 0.09 -0.23 0.00 -0.26 0.00 0.00 57.72 57.73 1m4p n HIS 102 Cb 0.57 0.68 -0.06 0.00 1.12 0.00 0.00 29.99 32.30 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 2.86 -0.14 1.59 1.01 -1.25 -2.19 120.40 120.28 1m4p s VAL 103 Ca 0.00 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.20 1m4p s VAL 103 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1m4p s VAL 103 CO 0.00 -0.12 -0.27 -0.67 0.00 0.00 0.00 175.10 174.03 1m4p n ASP 104 N -1.23 1.55 0.00 3.32 -0.08 -1.06 -3.26 116.55 115.79 1m4p n ASP 104 Ca -0.02 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1m4p n ASP 104 Cb 0.62 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 43.40 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m4p n ALA 105 N -4.06 0.00 0.33 -1.67 0.00 -1.26 -4.73 120.51 109.12 1m4p n ALA 105 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1m4p n ALA 105 Cb 0.41 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.03 1m4p n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1m4p h ASN 106 N 0.00 0.00 0.00 0.00 2.35 -1.97 -3.47 115.58 112.49 1m4p h ASN 106 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1m4p h ASN 106 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1m4p h ASN 106 CO 0.00 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 1m4p n GLY 107 N 1.20 1.03 3.75 2.83 0.00 -1.26 -4.79 105.19 107.95 1m4p n GLY 107 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 4.56 -0.02 1.61 0.00 -1.26 -1.02 119.74 123.38 1m4p s LYS 108 Ca 0.00 1.86 -0.30 0.00 0.00 0.00 0.00 55.97 57.53 1m4p s LYS 108 Cb 0.00 -3.20 -0.06 0.00 0.00 0.00 0.00 37.83 34.57 1m4p s LYS 108 CO 0.00 0.06 1.51 0.42 0.00 0.00 0.00 175.35 177.34 1m4p s ILE 109 N -0.68 3.62 -0.48 3.79 1.01 -1.22 -2.57 121.20 124.67 1m4p s ILE 109 Ca 0.48 0.91 0.03 0.00 0.00 0.00 0.00 60.65 62.08 1m4p s ILE 109 Cb -0.33 -3.59 0.51 0.00 0.01 0.00 0.00 42.46 39.07 1m4p s ILE 109 CO 0.40 -0.04 1.75 0.00 0.00 0.00 0.00 174.94 177.06 1m4p n TYR 110 N 6.11 2.70 -4.24 3.97 9.36 -0.93 -4.93 117.16 129.20 1m4p n TYR 110 Ca 0.15 -2.35 -0.33 0.00 3.32 0.00 0.00 57.90 58.69 1m4p n TYR 110 Cb 0.43 -0.96 -0.15 0.00 -0.63 0.00 0.00 39.34 38.02 1m4p n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4p s LEU 111 N -3.56 2.37 -0.71 2.98 2.01 -1.26 -4.84 118.68 115.67 1m4p s LEU 111 Ca 0.57 -0.55 -0.06 0.00 0.01 0.00 0.00 54.13 54.10 1m4p s LEU 111 Cb 0.47 -1.55 -0.12 0.00 0.01 0.00 0.00 46.19 44.99 1m4p s LEU 111 CO 0.03 0.03 2.63 -0.81 1.01 0.00 0.00 176.35 179.23 1m4p n PRO 112 N 4.45 2.24 0.27 1.29 -0.04 -1.26 -4.43 135.00 137.53 1m4p n PRO 112 Ca -0.20 -1.35 0.17 0.00 -0.04 0.00 0.00 63.50 62.09 1m4p n PRO 112 Cb 0.51 -2.30 0.66 0.00 -0.04 0.00 0.00 33.50 32.33 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 4.92 0.00 0.04 0.54 0.05 -1.98 -2.48 116.97 118.06 1m4p h TYR 113 Ca 0.44 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 59.00 1m4p h TYR 113 Cb 0.60 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1m4p h TYR 113 CO 1.79 0.01 -1.06 1.25 -1.05 0.00 0.00 178.16 179.10 1m4p h LEU 114 N 0.00 0.12 -2.44 3.88 5.85 -2.00 -3.07 115.31 117.65 1m4p h LEU 114 Ca -0.00 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1m4p h LEU 114 Cb 0.54 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1m4p h LEU 114 CO 0.00 1.09 0.01 1.57 -0.34 0.00 0.00 178.44 180.77 1m4p n HIS 115 N -3.41 1.18 0.00 1.25 -0.00 -0.95 -3.83 115.22 109.46 1m4p n HIS 115 Ca -0.02 -0.43 0.00 0.00 0.46 0.00 0.00 57.72 57.73 1m4p n HIS 115 Cb 0.96 -0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 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 0.32 0.00 0.00 1.57 2.13 -1.15 -4.95 120.64 118.56 1m4p n GLU 116 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1m4p n GLU 116 Cb 0.79 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.45 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 -1.76 0.00 -4.46 4.31 -0.00 -1.18 -4.78 117.44 109.57 1m4p n TRP 117 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 1m4p n TRP 117 Cb 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 31.31 31.16 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 -0.72 -0.73 -0.20 5.87 4.81 -1.25 -4.75 118.16 121.18 1m4p n LYS 118 Ca 0.00 0.14 0.01 0.00 -0.87 0.00 0.00 58.31 57.58 1m4p n LYS 118 Cb 0.00 -4.60 0.11 0.00 0.02 0.00 0.00 35.03 30.56 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 -0.84 0.30 -0.03 5.64 2.76 -1.92 -3.45 115.15 117.60 1m4p h HIS 119 Ca -0.58 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.51 1m4p h HIS 119 Cb 1.35 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 30.28 1m4p h HIS 119 CO 0.69 0.02 -0.44 -1.00 -1.30 0.00 0.00 177.93 175.91 1m4p h PRO 120 N 0.32 0.35 0.00 5.26 0.13 -2.02 -3.49 132.00 132.55 1m4p h PRO 120 Ca 0.32 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1m4p h PRO 120 Cb 0.45 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1m4p h PRO 120 CO -0.37 1.01 0.00 0.94 -0.23 0.00 0.00 178.00 179.35 1m4p n GLN 121 N -4.34 0.00 -1.07 0.86 -0.06 -1.26 -4.81 117.38 106.71 1m4p n GLN 121 Ca -0.09 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.54 1m4p n GLN 121 Cb 0.58 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.80 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 0.11 -5.13 -4.35 1.69 2.88 -1.26 -5.00 113.62 102.56 1m4p n SER 122 Ca 0.00 0.33 -0.18 0.00 -1.33 0.00 0.00 58.87 57.69 1m4p n SER 122 Cb 0.00 -0.81 -0.10 0.00 -0.75 0.00 0.00 64.21 62.54 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 -1.05 1.80 0.36 -3.46 1.01 -1.26 -4.96 116.67 109.10 1m4p s ASP 123 Ca 0.46 -1.29 0.18 0.00 0.71 0.00 0.00 52.55 52.60 1m4p s ASP 123 Cb -0.27 0.02 1.19 0.00 1.01 0.00 0.00 42.92 44.87 1m4p s ASP 123 CO 0.77 -0.58 1.64 0.25 0.21 0.00 0.00 175.17 177.46 1m4p h LEU 124 N 2.37 0.44 -0.30 1.23 5.85 -1.94 1.51 115.31 124.48 1m4p h LEU 124 Ca -0.39 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1m4p h LEU 124 Cb 1.23 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1m4p h LEU 124 CO 0.65 -0.22 0.13 -0.07 -0.34 0.00 0.00 178.44 178.59 1m4p h LEU 125 N 0.22 0.40 -1.38 2.25 4.07 -1.95 -1.93 115.31 116.99 1m4p h LEU 125 Ca 0.77 -0.14 -0.02 0.00 0.08 0.00 0.00 57.88 58.57 1m4p h LEU 125 Cb 1.89 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 43.53 1m4p h LEU 125 CO -0.63 0.43 -0.09 1.23 -1.08 0.00 0.00 178.44 178.29 1m4p h GLY 126 N 0.34 0.00 0.81 0.83 0.00 0.14 -1.71 103.07 103.48 1m4p h GLY 126 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1m4p h GLY 126 CO -0.01 0.00 -0.39 -2.00 0.00 0.00 0.00 176.54 174.14 1m4p h LEU 127 N 0.00 -0.92 -0.86 3.11 6.46 0.11 0.36 115.31 123.57 1m4p h LEU 127 Ca -0.00 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1m4p h LEU 127 Cb 0.58 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1m4p h LEU 127 CO 0.01 -0.61 0.22 0.40 -0.62 0.00 0.00 178.44 177.84 1m4p h ILE 128 N -1.19 1.25 -0.58 4.05 5.03 -1.48 -2.10 117.51 122.50 1m4p h ILE 128 Ca -0.11 -0.87 0.10 0.00 -0.12 0.00 0.00 64.86 63.86 1m4p h ILE 128 Cb 0.84 0.49 -0.08 0.00 -3.03 0.00 0.00 36.82 35.04 1m4p h ILE 128 CO 0.18 0.34 0.17 -0.61 -0.68 0.00 0.00 178.15 177.55 1m4p h GLN 129 N 1.02 0.31 -0.38 2.37 4.15 -1.22 0.76 115.11 122.12 1m4p h GLN 129 Ca 0.22 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.56 1m4p h GLN 129 Cb 0.29 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1m4p h GLN 129 CO -0.01 0.21 -0.06 0.28 -1.93 0.00 0.00 178.83 177.32 1m4p h VAL 130 N 0.32 1.23 -0.16 2.39 2.07 -0.51 -2.01 116.25 119.57 1m4p h VAL 130 Ca 0.30 -0.98 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 1m4p h VAL 130 Cb 0.40 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1m4p h VAL 130 CO -0.34 0.33 -0.46 -0.03 0.02 0.00 0.00 177.57 177.10 1m4p h MET 131 N 0.58 0.41 -0.10 1.57 1.85 -0.13 -1.42 114.93 117.69 1m4p h MET 131 Ca 0.11 -0.22 -0.09 0.00 -0.61 0.00 0.00 59.70 58.90 1m4p h MET 131 Cb 0.46 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.48 1m4p h MET 131 CO 0.02 0.78 -0.34 0.82 -0.40 0.00 0.00 176.91 177.80 1m4p h ILE 132 N 0.33 1.27 0.01 1.77 2.04 0.93 0.65 117.51 124.51 1m4p h ILE 132 Ca 0.02 -1.31 -0.20 0.00 1.00 0.00 0.00 64.86 64.37 1m4p h ILE 132 Cb 0.93 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1m4p h ILE 132 CO 0.08 0.39 -0.89 0.58 0.00 0.00 0.00 178.15 178.31 1m4p h VAL 133 N 0.18 1.50 0.08 1.67 2.07 -1.06 0.67 116.25 121.36 1m4p h VAL 133 Ca 0.02 -2.65 -0.28 0.00 0.82 0.00 0.00 66.70 64.61 1m4p h VAL 133 Cb 0.68 2.49 0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1m4p h VAL 133 CO 0.05 0.77 -1.17 0.58 0.02 0.00 0.00 177.57 177.82 1m4p h VAL 134 N 0.11 1.30 -0.85 2.57 2.07 -0.74 -3.19 116.25 117.52 1m4p h VAL 134 Ca -0.05 -2.42 -0.48 0.00 0.82 0.00 0.00 66.70 64.58 1m4p h VAL 134 Cb 1.53 2.59 -0.27 0.00 -1.52 0.00 0.00 31.29 33.62 1m4p h VAL 134 CO 0.14 0.74 0.47 0.49 0.02 0.00 0.00 177.57 179.42 1m4p n PHE 135 N -3.80 2.66 0.00 1.57 3.01 0.22 -4.17 117.46 116.96 1m4p n PHE 135 Ca -0.12 -2.06 0.00 0.00 1.01 0.00 0.00 57.45 56.28 1m4p n PHE 135 Cb 0.95 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.08 0.00 0.07 1.37 0.00 0.23 -4.71 105.19 101.07 1m4p n GLY 136 Ca 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.02 -2.65 1.61 3.32 -1.74 -3.45 116.42 113.49 1m4p h ASP 137 Ca 0.00 -0.69 -0.57 0.00 0.02 0.00 0.00 57.03 55.79 1m4p h ASP 137 Cb 0.83 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 1m4p h ASP 137 CO 0.00 0.71 -0.57 -1.61 -1.72 0.00 0.00 179.24 176.05 1m4p s GLU 138 N -3.14 2.87 -0.32 3.56 2.02 -1.26 -5.06 118.70 117.38 1m4p s GLU 138 Ca -0.16 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 53.63 1m4p s GLU 138 Cb -0.01 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1m4p s GLU 138 CO 0.64 0.47 1.36 -1.25 0.02 0.00 0.00 175.26 176.50 1m4p s PRO 139 N -3.18 3.80 0.31 0.39 0.04 -1.26 -4.62 135.00 130.48 1m4p s PRO 139 Ca 0.31 1.20 0.16 0.00 0.04 0.00 0.00 61.00 62.70 1m4p s PRO 139 Cb -0.10 -3.94 0.39 0.00 0.04 0.00 0.00 34.50 30.89 1m4p s PRO 139 CO 0.23 -1.27 1.59 -1.00 0.04 0.00 0.00 177.00 176.60 1m4p h PRO 140 N 9.83 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.21 1m4p h PRO 140 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 1m4p h PRO 140 Cb 1.10 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.05 0.51 -0.06 1.55 -0.23 0.00 0.00 178.00 180.81 1m4p n VAL 141 N -3.46 0.00 -1.71 1.56 3.14 -1.26 -3.69 118.33 112.91 1m4p n VAL 141 Ca 0.00 -0.85 -0.43 0.00 -2.96 0.00 0.00 64.34 60.11 1m4p n VAL 141 Cb 0.63 1.17 -0.03 0.00 -1.06 0.00 0.00 33.84 34.55 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 0.61 2.69 -2.93 1.45 -1.74 -1.23 -4.24 117.46 112.07 1m4p n PHE 142 Ca -0.02 0.05 -0.20 0.00 -0.56 0.00 0.00 57.45 56.71 1m4p n PHE 142 Cb 0.74 -2.67 0.07 0.00 1.52 0.00 0.00 39.48 39.14 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 1.29 4.93 0.74 5.98 0.15 -1.26 -3.57 113.70 121.95 1m4p s SER 143 Ca 0.76 -0.73 -0.14 0.00 0.70 0.00 0.00 55.95 56.54 1m4p s SER 143 Cb -0.52 0.22 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1m4p s SER 143 CO 0.33 -1.46 1.17 0.00 1.20 0.00 0.00 173.24 174.48 1m4p s ARG 144 N -4.77 2.18 0.00 5.44 1.04 -1.26 -4.99 118.95 116.59 1m4p s ARG 144 Ca 0.63 1.59 0.24 0.00 -1.04 0.00 0.00 55.73 57.15 1m4p s ARG 144 Cb -0.06 -1.86 1.43 0.00 -2.04 0.00 0.00 34.95 32.43 1m4p s ARG 144 CO 0.40 -1.77 1.80 -0.35 -0.04 0.00 0.00 175.30 175.34