#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbd s VAL 10 N 0.00 2.35 -0.02 2.53 0.11 -1.26 -5.02 120.40 119.10 2wbd s VAL 10 Ca 0.00 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.37 2wbd s VAL 10 Cb 0.00 -3.16 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 2wbd s VAL 10 CO 0.00 0.02 -0.22 0.21 -3.33 0.00 0.00 175.10 171.78 2wbd s ASN 11 N 1.14 2.56 0.32 3.54 3.84 -1.26 -5.08 114.94 120.00 2wbd s ASN 11 Ca 0.72 -0.40 0.08 0.00 0.21 0.00 0.00 52.86 53.48 2wbd s ASN 11 Cb -0.46 -0.29 -0.06 0.00 -0.55 0.00 0.00 41.25 39.88 2wbd s ASN 11 CO 0.32 0.27 -0.08 0.42 -2.79 0.00 0.00 177.10 175.24 2wbd s THR 12 N -0.50 1.98 0.30 -5.21 -4.23 -1.26 -1.37 115.64 105.34 2wbd s THR 12 Ca 0.08 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 2wbd s THR 12 Cb -0.08 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.46 2wbd s THR 12 CO -0.01 -0.23 1.89 0.25 -0.54 0.00 0.00 174.62 175.98 2wbd h LEU 13 N 2.12 0.91 -0.33 4.79 5.85 -1.47 0.12 115.31 127.30 2wbd h LEU 13 Ca -0.41 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.13 2wbd h LEU 13 Cb 1.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2wbd h LEU 13 CO 0.69 0.56 -0.84 0.74 -0.34 0.00 0.00 178.44 179.25 2wbd h THR 14 N 1.02 1.47 0.03 1.05 2.02 -1.97 -0.87 112.91 115.66 2wbd h THR 14 Ca 0.42 -2.50 -0.23 0.00 0.77 0.00 0.00 66.41 64.87 2wbd h THR 14 Cb 0.28 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 2wbd h THR 14 CO -0.17 0.73 -1.00 -0.09 0.37 0.00 0.00 175.52 175.36 2wbd h ARG 15 N 0.14 0.34 -0.30 6.66 2.43 -1.91 -2.70 114.38 119.02 2wbd h ARG 15 Ca -0.04 -0.40 -0.07 0.00 -0.81 0.00 0.00 59.98 58.65 2wbd h ARG 15 Cb 1.45 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 2wbd h ARG 15 CO 0.13 1.10 -0.10 0.35 -1.51 0.00 0.00 179.97 179.94 2wbd h PHE 16 N 0.17 0.69 -0.29 2.20 3.57 -0.77 -1.33 116.94 121.17 2wbd h PHE 16 Ca -0.09 -0.16 -0.18 0.00 3.53 0.00 0.00 57.97 61.08 2wbd h PHE 16 Cb 1.65 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.23 2wbd h PHE 16 CO 0.05 0.81 -0.52 0.28 -2.23 0.00 0.00 178.31 176.70 2wbd h VAL 17 N 0.37 1.28 -0.43 1.41 2.07 -1.23 -2.24 116.25 117.48 2wbd h VAL 17 Ca 0.07 -1.71 -0.11 0.00 0.82 0.00 0.00 66.70 65.78 2wbd h VAL 17 Cb 0.60 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2wbd h VAL 17 CO 0.04 0.56 -0.17 0.24 0.02 0.00 0.00 177.57 178.25 2wbd h MET 18 N 0.66 0.82 -0.22 1.57 2.86 -1.47 0.28 114.93 119.43 2wbd h MET 18 Ca 0.02 -0.31 -0.13 0.00 -2.06 0.00 0.00 59.70 57.22 2wbd h MET 18 Cb 1.12 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2wbd h MET 18 CO 0.12 0.93 -0.42 1.49 1.06 0.00 0.00 176.91 180.09 2wbd h GLU 19 N 0.72 0.53 0.02 1.72 4.81 -1.16 0.32 114.58 121.55 2wbd h GLU 19 Ca 0.11 -0.27 -0.25 0.00 -0.13 0.00 0.00 59.36 58.81 2wbd h GLU 19 Cb 0.69 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.09 2wbd h GLU 19 CO 0.05 0.85 -1.03 0.93 -0.73 0.00 0.00 179.01 179.09 2wbd h GLU 20 N 0.44 0.52 0.08 1.92 4.39 -1.31 -2.95 114.58 117.67 2wbd h GLU 20 Ca 0.04 -0.59 0.02 0.00 0.34 0.00 0.00 59.36 59.17 2wbd h GLU 20 Cb 0.91 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.69 2wbd h GLU 20 CO 0.08 1.22 -0.31 0.78 -1.16 0.00 0.00 179.01 179.62 2wbd h GLY 21 N 0.89 -0.55 0.75 -3.84 0.00 -0.26 -2.99 103.07 97.06 2wbd h GLY 21 Ca -0.11 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.61 2wbd h GLY 21 CO 0.19 -0.24 -0.04 3.21 0.00 0.00 0.00 176.54 179.67 2wbd h ARG 22 N -0.51 -0.01 -1.19 4.80 3.08 -1.00 -2.52 114.38 117.03 2wbd h ARG 22 Ca 0.04 0.00 0.34 0.00 0.07 0.00 0.00 59.98 60.43 2wbd h ARG 22 Cb 0.55 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 2wbd h ARG 22 CO -0.20 -0.01 0.84 0.87 -1.07 0.00 0.00 179.97 180.40 2wbd h LYS 23 N -0.01 0.07 -0.37 0.04 1.57 -1.43 -0.34 116.57 116.10 2wbd h LYS 23 Ca 0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wbd h LYS 23 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2wbd h LYS 23 CO -0.13 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.80 2wbd n ALA 24 N -2.72 2.43 -4.20 3.86 0.00 -0.95 -4.96 120.51 113.96 2wbd n ALA 24 Ca 0.27 -0.97 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 2wbd n ALA 24 Cb 1.22 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 2wbd n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wbd n ARG 25 N 1.46 -1.70 -2.39 0.00 1.74 -0.14 -4.97 116.66 110.67 2wbd n ARG 25 Ca 0.19 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.22 2wbd n ARG 25 Cb 0.60 -3.90 0.05 0.00 -1.02 0.00 0.00 32.46 28.20 2wbd n ARG 25 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2wbd s GLY 26 N -4.37 1.72 0.44 -0.13 0.00 -1.20 -5.01 107.32 98.76 2wbd s GLY 26 Ca 0.01 -1.04 0.24 0.00 0.00 0.00 0.00 44.72 43.93 2wbd s GLY 26 CO 0.96 -0.70 1.79 -0.91 0.00 0.00 0.00 173.10 174.24 2wbd h THR 27 N -0.31 0.47 0.00 0.90 1.35 -1.93 -3.48 112.91 109.91 2wbd h THR 27 Ca -0.44 -1.15 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2wbd h THR 27 Cb 1.30 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2wbd h THR 27 CO 0.57 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 2wbd n GLY 28 N 0.34 0.40 0.13 5.82 0.00 -1.26 -4.99 105.19 105.62 2wbd n GLY 28 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2wbd n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wbd h GLU 29 N 4.21 -0.10 -0.48 1.61 5.08 -1.97 0.20 114.58 123.12 2wbd h GLU 29 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2wbd h GLU 29 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2wbd h GLU 29 CO 0.00 -0.07 0.32 1.25 -1.00 0.00 0.00 179.01 179.51 2wbd h LEU 30 N -0.11 0.47 -0.18 1.33 5.85 -1.94 -0.20 115.31 120.53 2wbd h LEU 30 Ca 0.06 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 2wbd h LEU 30 Cb 0.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2wbd h LEU 30 CO -0.14 0.32 -0.11 0.74 -0.34 0.00 0.00 178.44 178.91 2wbd h THR 31 N 0.54 1.32 -0.18 1.05 2.02 -1.65 -1.59 112.91 114.41 2wbd h THR 31 Ca 0.19 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.19 2wbd h THR 31 Cb 0.09 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2wbd h THR 31 CO -0.05 0.36 0.03 1.56 0.37 0.00 0.00 175.52 177.79 2wbd h GLN 32 N 0.08 0.10 -0.36 6.66 4.20 -0.22 -2.03 115.11 123.53 2wbd h GLN 32 Ca 0.04 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.82 2wbd h GLN 32 Cb 0.61 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.30 2wbd h GLN 32 CO 0.03 0.06 -0.11 1.25 -0.67 0.00 0.00 178.83 179.40 2wbd h LEU 33 N 0.10 -0.39 -0.56 1.46 5.85 -0.97 -1.49 115.31 119.32 2wbd h LEU 33 Ca 0.08 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.82 2wbd h LEU 33 Cb 0.08 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2wbd h LEU 33 CO -0.12 -0.14 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.75 2wbd h LEU 34 N -0.03 0.99 -0.39 2.25 3.38 -1.13 -1.53 115.31 118.85 2wbd h LEU 34 Ca 0.18 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2wbd h LEU 34 Cb 0.29 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2wbd h LEU 34 CO -0.38 1.06 -0.08 -1.13 0.09 0.00 0.00 178.44 178.00 2wbd h ASN 35 N 0.88 -0.33 -0.85 -0.43 -1.24 -1.17 0.43 115.58 112.88 2wbd h ASN 35 Ca 0.15 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.27 2wbd h ASN 35 Cb 0.57 0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 2wbd h ASN 35 CO 0.03 -0.11 0.50 0.28 -1.29 0.00 0.00 177.43 176.84 2wbd h SER 36 N 0.02 1.02 -0.30 1.15 0.02 -0.98 0.12 113.55 114.59 2wbd h SER 36 Ca 0.19 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2wbd h SER 36 Cb 0.29 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2wbd h SER 36 CO -0.39 0.79 -0.02 0.25 -1.14 0.00 0.00 176.83 176.33 2wbd h LEU 37 N 1.16 0.54 -0.69 5.07 5.85 -0.64 -1.34 115.31 125.26 2wbd h LEU 37 Ca 0.30 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2wbd h LEU 37 Cb -0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2wbd h LEU 37 CO -0.06 0.73 0.26 0.00 -0.34 0.00 0.00 178.44 179.03 2wbd h THR 39 N 0.98 0.90 -0.98 0.00 2.02 -0.60 -0.53 112.91 114.71 2wbd h THR 39 Ca 0.23 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2wbd h THR 39 Cb 0.24 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 2wbd h THR 39 CO -0.02 0.07 0.64 0.00 0.37 0.00 0.00 175.52 176.58 2wbd h ALA 40 N 1.28 1.29 -0.78 6.16 0.00 -0.84 -2.29 119.26 124.08 2wbd h ALA 40 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2wbd h ALA 40 Cb 0.17 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2wbd h ALA 40 CO -0.19 0.53 0.33 0.28 0.00 0.00 0.00 179.25 180.21 2wbd h VAL 41 N 1.24 1.25 -0.39 0.00 2.07 0.18 -1.04 116.25 119.57 2wbd h VAL 41 Ca 0.39 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 2wbd h VAL 41 Cb -0.00 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2wbd h VAL 41 CO -0.12 0.32 -0.04 0.11 0.02 0.00 0.00 177.57 177.86 2wbd h LYS 42 N 1.13 0.63 0.00 1.57 1.57 -0.77 -1.59 116.57 119.12 2wbd h LYS 42 Ca 0.26 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 2wbd h LYS 42 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2wbd h LYS 42 CO -0.03 0.68 -0.63 0.00 -0.57 0.00 0.00 179.45 178.90 2wbd h ALA 43 N 1.37 0.67 -0.11 3.86 0.00 -0.91 -2.53 119.26 121.62 2wbd h ALA 43 Ca 0.12 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2wbd h ALA 43 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wbd h ALA 43 CO 0.02 0.79 -0.14 0.82 0.00 0.00 0.00 179.25 180.74 2wbd h ILE 44 N 0.00 1.37 -0.29 0.00 2.04 -0.99 -2.87 117.51 116.77 2wbd h ILE 44 Ca -0.01 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.57 2wbd h ILE 44 Cb 1.37 2.00 -0.05 0.00 -0.74 0.00 0.00 36.82 39.40 2wbd h ILE 44 CO 0.08 0.38 -0.07 -1.28 0.00 0.00 0.00 178.15 177.27 2wbd h SER 45 N -0.13 -0.26 -0.55 1.72 0.87 -1.26 0.43 113.55 114.38 2wbd h SER 45 Ca 0.01 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.76 2wbd h SER 45 Cb 0.68 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.74 2wbd h SER 45 CO 0.03 -0.09 0.12 -1.28 -0.53 0.00 0.00 176.83 175.08 2wbd h SER 46 N 0.01 0.01 -0.32 6.23 0.87 -1.53 0.15 113.55 118.98 2wbd h SER 46 Ca 0.14 0.10 -0.17 0.00 -1.23 0.00 0.00 61.79 60.63 2wbd h SER 46 Cb 0.21 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2wbd h SER 46 CO -0.29 0.03 -0.46 0.00 -0.53 0.00 0.00 176.83 175.57 2wbd h ALA 47 N 1.43 0.54 -0.51 6.23 0.00 -0.99 -2.71 119.26 123.26 2wbd h ALA 47 Ca 0.28 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2wbd h ALA 47 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2wbd h ALA 47 CO -0.36 0.68 0.05 0.28 0.00 0.00 0.00 179.25 179.90 2wbd h VAL 48 N 0.71 1.24 0.00 0.00 2.07 0.47 -1.41 116.25 119.32 2wbd h VAL 48 Ca 0.04 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.61 2wbd h VAL 48 Cb 1.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2wbd h VAL 48 CO 0.11 0.34 0.00 0.54 0.02 0.00 0.00 177.57 178.58 2wbd n ARG 49 N -4.23 0.59 -1.59 1.57 3.00 0.48 -4.89 116.66 111.59 2wbd n ARG 49 Ca 0.03 0.03 -0.09 0.00 -0.01 0.00 0.00 57.85 57.81 2wbd n ARG 49 Cb 0.28 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.21 2wbd n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2wbd n LYS 50 N -1.11 -0.67 -1.67 5.56 4.76 -0.53 -4.98 118.16 119.52 2wbd n LYS 50 Ca 0.15 0.69 -0.51 0.00 -2.87 0.00 0.00 58.31 55.77 2wbd n LYS 50 Cb 0.12 -4.62 -0.05 0.00 -1.84 0.00 0.00 35.03 28.64 2wbd n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wbd n ALA 51 N 0.24 0.32 -0.35 7.82 0.00 -1.03 -2.12 120.51 125.39 2wbd n ALA 51 Ca -0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2wbd n ALA 51 Cb 0.40 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2wbd n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbd n GLY 52 N 3.75 0.71 0.26 0.00 0.00 -1.26 -4.81 105.19 103.83 2wbd n GLY 52 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 2wbd n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wbd h ILE 53 N 0.00 0.81 -0.72 -0.61 2.10 -1.84 -2.23 117.51 115.03 2wbd h ILE 53 Ca 0.00 -0.38 0.09 0.00 1.08 0.00 0.00 64.86 65.65 2wbd h ILE 53 Cb 0.00 1.22 -0.05 0.00 -1.09 0.00 0.00 36.82 36.90 2wbd h ILE 53 CO 0.00 0.10 0.47 0.00 -1.08 0.00 0.00 178.15 177.64 2wbd h ALA 54 N 1.90 1.83 -0.29 0.18 0.00 -1.93 -1.25 119.26 119.70 2wbd h ALA 54 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wbd h ALA 54 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wbd h ALA 54 CO 0.01 0.03 -0.03 0.45 0.00 0.00 0.00 179.25 179.72 2wbd h HIS 55 N 0.64 0.59 -0.65 0.00 3.86 -1.81 -1.50 115.15 116.28 2wbd h HIS 55 Ca 0.33 -0.11 0.19 0.00 -1.16 0.00 0.00 60.37 59.61 2wbd h HIS 55 Cb 0.43 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2wbd h HIS 55 CO -0.00 0.70 0.57 -0.07 0.86 0.00 0.00 177.93 179.99 2wbd h LEU 56 N 0.32 0.00 -3.50 2.43 3.38 -1.31 -1.80 115.31 114.82 2wbd h LEU 56 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2wbd h LEU 56 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2wbd h LEU 56 CO 0.02 0.00 0.05 -1.22 0.09 0.00 0.00 178.44 177.38 2wbd n TYR 57 N -3.92 1.78 -1.46 1.13 4.02 -0.60 -4.95 117.16 113.16 2wbd n TYR 57 Ca 0.13 -0.89 -0.01 0.00 -0.01 0.00 0.00 57.90 57.12 2wbd n TYR 57 Cb 0.82 -0.49 -0.00 0.00 -0.02 0.00 0.00 39.34 39.65 2wbd n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wbd n GLY 58 N 0.08 0.39 0.31 2.72 0.00 -0.68 -4.96 105.19 103.05 2wbd n GLY 58 Ca 0.28 -0.98 0.16 0.00 0.00 0.00 0.00 46.02 45.49 2wbd n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wbd h ILE 59 N 0.00 0.47 -0.36 -0.61 2.10 -1.64 -0.04 117.51 117.42 2wbd h ILE 59 Ca -0.01 0.00 -0.23 0.00 1.08 0.00 0.00 64.86 65.70 2wbd h ILE 59 Cb 0.47 0.96 -0.15 0.00 -1.09 0.00 0.00 36.82 37.02 2wbd h ILE 59 CO 0.02 0.00 -0.30 0.00 -1.08 0.00 0.00 178.15 176.79 2wbd n ALA 60 N -2.30 4.40 -1.69 0.18 0.00 -1.26 -5.07 120.51 114.77 2wbd n ALA 60 Ca -0.02 -3.34 -0.42 0.00 0.00 0.00 0.00 53.44 49.65 2wbd n ALA 60 Cb 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 2wbd n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbd n GLY 61 N -1.03 1.69 1.87 0.00 0.00 -0.03 -5.22 105.19 102.46 2wbd n GLY 61 Ca 0.33 0.72 0.00 0.00 0.00 0.00 0.00 46.02 47.07 2wbd n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wbd n VAL 70 N 4.71 0.00 -1.76 1.61 0.31 -1.26 -4.97 118.33 116.97 2wbd n VAL 70 Ca 0.18 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.10 2wbd n VAL 70 Cb 0.37 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 33.18 2wbd n VAL 70 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wbd s LYS 71 N -1.93 4.10 0.60 5.55 2.20 -1.26 -4.99 119.74 124.00 2wbd s LYS 71 Ca 0.00 2.61 -0.19 0.00 -0.36 0.00 0.00 55.97 58.03 2wbd s LYS 71 Cb 0.00 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2wbd s LYS 71 CO 0.00 -0.62 1.24 0.15 -0.36 0.00 0.00 175.35 175.76 2wbd s LYS 72 N -1.16 2.90 0.26 4.03 3.01 -1.26 -4.82 119.74 122.70 2wbd s LYS 72 Ca 0.59 1.91 -0.02 0.00 -1.01 0.00 0.00 55.97 57.45 2wbd s LYS 72 Cb -0.48 -1.94 0.33 0.00 -1.01 0.00 0.00 37.83 34.73 2wbd s LYS 72 CO 0.55 -1.28 1.73 -0.07 0.51 0.00 0.00 175.35 176.79 2wbd h LEU 73 N 0.87 0.71 -0.11 3.17 3.38 -1.98 0.16 115.31 121.51 2wbd h LEU 73 Ca -0.51 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.03 2wbd h LEU 73 Cb 1.31 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2wbd h LEU 73 CO 0.55 0.83 -0.94 -2.24 0.09 0.00 0.00 178.44 176.73 2wbd h ASP 74 N 0.67 0.78 0.23 -0.43 3.04 -1.93 -0.56 116.42 118.22 2wbd h ASP 74 Ca 0.12 -0.59 -0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2wbd h ASP 74 Cb 0.54 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 38.58 2wbd h ASP 74 CO 0.03 1.39 -0.16 0.58 -2.04 0.00 0.00 179.24 179.04 2wbd h VAL 75 N 0.37 0.66 -0.33 4.15 2.07 -1.92 -0.51 116.25 120.74 2wbd h VAL 75 Ca -0.09 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2wbd h VAL 75 Cb 1.58 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2wbd h VAL 75 CO 0.18 0.00 0.10 0.25 0.02 0.00 0.00 177.57 178.12 2wbd h LEU 76 N -0.38 0.08 -0.79 2.57 5.85 -0.66 -1.20 115.31 120.79 2wbd h LEU 76 Ca -0.02 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.87 2wbd h LEU 76 Cb 0.33 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 2wbd h LEU 76 CO 0.01 0.08 0.38 0.28 -0.34 0.00 0.00 178.44 178.85 2wbd h SER 77 N 0.23 0.45 -0.09 1.25 0.02 -0.97 -0.31 113.55 114.13 2wbd h SER 77 Ca 0.15 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2wbd h SER 77 Cb 0.14 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 2wbd h SER 77 CO -0.17 0.21 0.03 -1.13 -1.14 0.00 0.00 176.83 174.64 2wbd h ASN 78 N 0.58 0.12 -0.08 3.07 -1.24 0.03 -2.27 115.58 115.79 2wbd h ASN 78 Ca 0.42 -0.17 -0.03 0.00 0.71 0.00 0.00 56.30 57.23 2wbd h ASN 78 Cb 0.55 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2wbd h ASN 78 CO -0.34 0.25 -0.02 0.44 -1.29 0.00 0.00 177.43 176.47 2wbd h ASP 79 N -0.02 0.25 -0.17 1.15 3.32 -0.74 -0.28 116.42 119.93 2wbd h ASP 79 Ca 0.03 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2wbd h ASP 79 Cb 0.17 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2wbd h ASP 79 CO -0.00 0.32 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.73 2wbd h LEU 80 N 0.27 0.32 0.01 1.55 3.38 -0.87 -1.62 115.31 118.35 2wbd h LEU 80 Ca 0.06 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2wbd h LEU 80 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wbd h LEU 80 CO 0.01 0.61 -0.00 0.58 0.09 0.00 0.00 178.44 179.73 2wbd h VAL 81 N 0.03 1.41 -0.08 1.22 2.07 -1.28 -1.26 116.25 118.36 2wbd h VAL 81 Ca 0.04 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 66.33 2wbd h VAL 81 Cb 0.47 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 2wbd h VAL 81 CO 0.02 0.33 -0.37 0.24 0.02 0.00 0.00 177.57 177.80 2wbd h MET 82 N -0.56 -0.46 -0.74 1.57 2.86 -1.14 -0.39 114.93 116.08 2wbd h MET 82 Ca -0.00 0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2wbd h MET 82 Cb 0.54 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 2wbd h MET 82 CO 0.00 -0.31 0.28 -0.97 1.06 0.00 0.00 176.91 176.98 2wbd h ASN 83 N -0.48 1.02 -0.43 1.22 -1.24 -1.30 0.65 115.58 115.03 2wbd h ASN 83 Ca 0.07 -0.16 -0.08 0.00 0.71 0.00 0.00 56.30 56.85 2wbd h ASN 83 Cb 0.60 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 2wbd h ASN 83 CO -0.34 0.91 -0.04 0.24 -1.29 0.00 0.00 177.43 176.91 2wbd h MET 84 N 1.08 0.79 0.18 6.67 2.86 -0.93 -2.31 114.93 123.26 2wbd h MET 84 Ca 0.25 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2wbd h MET 84 Cb 0.22 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2wbd h MET 84 CO -0.02 0.88 -0.08 -0.07 1.06 0.00 0.00 176.91 178.67 2wbd h LEU 85 N 0.62 -0.20 -0.89 1.22 3.38 -0.80 -2.65 115.31 115.99 2wbd h LEU 85 Ca 0.12 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2wbd h LEU 85 Cb 0.55 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 2wbd h LEU 85 CO 0.03 0.22 -0.52 0.29 0.09 0.00 0.00 178.44 178.55 2wbd n LYS 86 N -5.01 -0.39 0.00 1.13 5.02 0.20 -0.77 118.16 118.34 2wbd n LYS 86 Ca -0.09 1.42 0.11 0.00 -2.02 0.00 0.00 58.31 57.73 2wbd n LYS 86 Cb 0.25 -2.09 0.63 0.00 -0.02 0.00 0.00 35.03 33.80 2wbd n LYS 86 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wbd n SER 87 N -5.03 0.00 0.06 4.39 3.41 -0.87 -2.56 113.62 113.02 2wbd n SER 87 Ca 0.02 -0.82 0.13 0.00 -0.26 0.00 0.00 58.87 57.94 2wbd n SER 87 Cb 0.23 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.68 2wbd n SER 87 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wbd n SER 88 N -0.95 0.43 -2.50 4.04 3.41 0.05 -4.92 113.62 113.18 2wbd n SER 88 Ca 0.16 0.55 -0.18 0.00 -0.26 0.00 0.00 58.87 59.14 2wbd n SER 88 Cb 0.07 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2wbd n SER 88 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2wbd n PHE 89 N -1.90 -1.26 -0.24 7.33 3.01 -1.06 -4.70 117.46 118.63 2wbd n PHE 89 Ca 0.06 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.57 2wbd n PHE 89 Cb 0.37 -3.52 0.00 0.00 -0.01 0.00 0.00 39.48 36.32 2wbd n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wbd n ALA 90 N -2.26 1.85 -2.48 4.37 0.00 -1.26 -3.97 120.51 116.76 2wbd n ALA 90 Ca -0.19 -0.52 -0.22 0.00 0.00 0.00 0.00 53.44 52.50 2wbd n ALA 90 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 2wbd n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wbd s THR 91 N -0.22 1.80 0.00 0.00 -4.23 -1.26 -1.46 115.64 110.27 2wbd s THR 91 Ca 0.00 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2wbd s THR 91 Cb 0.00 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.07 2wbd s THR 91 CO 0.00 -0.24 0.00 0.00 -0.54 0.00 0.00 174.62 173.84 2wbd s VAL 93 N -1.56 0.53 -0.06 0.00 1.01 -1.24 -1.31 120.40 117.77 2wbd s VAL 93 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2wbd s VAL 93 Cb 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2wbd s VAL 93 CO 0.00 0.23 -0.23 -0.76 0.00 0.00 0.00 175.10 174.34 2wbd s LEU 94 N 1.03 2.03 -0.13 3.92 1.43 0.12 -2.01 118.68 125.07 2wbd s LEU 94 Ca -0.09 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2wbd s LEU 94 Cb -0.14 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.82 2wbd s LEU 94 CO -0.01 0.20 -0.09 -0.69 0.23 0.00 0.00 176.35 176.00 2wbd s VAL 95 N -0.01 1.19 0.07 -1.59 1.01 -0.02 -0.36 120.40 120.70 2wbd s VAL 95 Ca -0.07 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2wbd s VAL 95 Cb -0.14 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2wbd s VAL 95 CO 0.04 0.39 -0.20 -0.55 0.00 0.00 0.00 175.10 174.78 2wbd s SER 96 N 1.64 2.40 0.33 3.32 0.15 -1.26 -0.59 113.70 119.69 2wbd s SER 96 Ca 0.05 -0.60 0.11 0.00 0.70 0.00 0.00 55.95 56.21 2wbd s SER 96 Cb -0.13 -0.16 0.93 0.00 -1.71 0.00 0.00 66.02 64.95 2wbd s SER 96 CO -0.09 0.09 1.73 -0.08 1.20 0.00 0.00 173.24 176.10 2wbd h GLU 97 N 4.47 0.53 0.00 5.44 4.22 -1.86 -2.82 114.58 124.57 2wbd h GLU 97 Ca -0.44 -0.03 -0.09 0.00 0.08 0.00 0.00 59.36 58.88 2wbd h GLU 97 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2wbd h GLU 97 CO 0.42 0.35 -0.44 0.93 -2.18 0.00 0.00 179.01 178.09 2wbd h GLU 98 N 0.55 0.00 -6.29 1.92 4.39 -1.96 -3.45 114.58 109.74 2wbd h GLU 98 Ca 0.64 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.66 2wbd h GLU 98 Cb 1.29 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.74 2wbd h GLU 98 CO -0.45 0.44 -0.73 -0.51 -1.16 0.00 0.00 179.01 176.60 2wbd s ASP 99 N -6.81 4.38 0.07 1.42 -0.00 -1.07 -5.05 116.67 109.62 2wbd s ASP 99 Ca -0.02 -0.15 -0.20 0.00 -0.00 0.00 0.00 52.55 52.18 2wbd s ASP 99 Cb 0.13 -0.99 -0.10 0.00 -0.00 0.00 0.00 42.92 41.96 2wbd s ASP 99 CO 0.73 0.32 1.50 0.50 -0.00 0.00 0.00 175.17 178.22 2wbd h LYS 100 N 4.96 0.36 -6.42 8.23 1.63 -1.87 -3.43 116.57 120.03 2wbd h LYS 100 Ca -0.48 -0.12 -0.44 0.00 -0.85 0.00 0.00 60.65 58.76 2wbd h LYS 100 Cb 1.16 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2wbd h LYS 100 CO 0.52 0.56 -0.28 -1.01 -3.45 0.00 0.00 179.45 175.79 2wbd s HIS 101 N -4.97 3.13 0.54 1.91 3.76 -1.26 -4.91 115.29 113.49 2wbd s HIS 101 Ca -0.14 -0.12 -0.20 0.00 -0.15 0.00 0.00 55.06 54.46 2wbd s HIS 101 Cb 0.07 -2.09 -0.06 0.00 1.11 0.00 0.00 32.58 31.61 2wbd s HIS 101 CO 0.73 -0.11 1.12 0.00 -0.85 0.00 0.00 174.74 175.63 2wbd s ALA 102 N -2.27 2.72 -0.13 -1.40 0.00 -1.26 -4.78 121.76 114.63 2wbd s ALA 102 Ca 0.46 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 2wbd s ALA 102 Cb -0.10 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2wbd s ALA 102 CO 0.33 -0.72 0.27 0.42 0.00 0.00 0.00 175.76 176.06 2wbd s ILE 103 N -1.80 5.31 -0.36 0.00 1.09 0.52 -4.94 121.20 121.02 2wbd s ILE 103 Ca 0.72 0.50 -0.07 0.00 -1.10 0.00 0.00 60.65 60.70 2wbd s ILE 103 Cb -0.23 -3.59 0.05 0.00 -1.06 0.00 0.00 42.46 37.63 2wbd s ILE 103 CO 0.26 0.46 0.15 -0.63 -0.10 0.00 0.00 174.94 175.08 2wbd s ILE 104 N -0.01 3.92 0.19 2.92 -1.09 -1.26 -0.70 121.20 125.16 2wbd s ILE 104 Ca 0.16 -1.20 -0.33 0.00 -2.23 0.00 0.00 60.65 57.06 2wbd s ILE 104 Cb -0.13 -3.27 -0.14 0.00 -1.58 0.00 0.00 42.46 37.34 2wbd s ILE 104 CO 0.05 -0.27 1.53 0.52 -1.23 0.00 0.00 174.94 175.54 2wbd n VAL 105 N 4.84 0.34 -1.74 2.92 0.31 -0.43 -4.88 118.33 119.69 2wbd n VAL 105 Ca -0.11 -0.08 -0.42 0.00 -0.01 0.00 0.00 64.34 63.71 2wbd n VAL 105 Cb 0.44 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 2wbd n VAL 105 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wbd n GLU 106 N 2.94 2.58 -0.34 5.55 0.28 -1.26 -4.76 120.64 125.63 2wbd n GLU 106 Ca 0.15 0.91 0.12 0.00 -0.16 0.00 0.00 57.16 58.19 2wbd n GLU 106 Cb 0.30 -2.66 0.25 0.00 1.43 0.00 0.00 31.44 30.77 2wbd n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 2wbd h PRO 107 N 4.19 0.01 0.00 3.44 0.13 -1.99 0.19 132.00 137.96 2wbd h PRO 107 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wbd h PRO 107 Cb 1.24 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wbd h PRO 107 CO 0.75 0.01 0.00 0.93 -0.23 0.00 0.00 178.00 179.45 2wbd h GLU 108 N 0.01 0.00 -0.05 0.86 5.08 -2.02 -2.18 114.58 116.28 2wbd h GLU 108 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2wbd h GLU 108 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2wbd h GLU 108 CO -0.93 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 178.71 2wbd n LYS 109 N -2.31 2.16 -2.59 2.33 5.02 0.66 -5.06 118.16 118.36 2wbd n LYS 109 Ca -0.01 -2.19 -0.40 0.00 -2.02 0.00 0.00 58.31 53.68 2wbd n LYS 109 Cb 0.04 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2wbd n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wbd s ARG 110 N -2.08 4.70 0.00 1.97 0.52 -0.82 -4.15 118.95 119.08 2wbd s ARG 110 Ca 0.21 1.65 0.00 0.00 -0.52 0.00 0.00 55.73 57.07 2wbd s ARG 110 Cb 0.18 -3.26 0.00 0.00 0.52 0.00 0.00 34.95 32.39 2wbd s ARG 110 CO 0.03 0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.02 2wbd n GLY 111 N 1.64 4.65 0.52 -3.53 0.00 -0.74 -4.73 105.19 103.00 2wbd n GLY 111 Ca 0.00 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.32 2wbd n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wbd n LYS 112 N 0.00 1.35 -4.07 1.61 2.85 -1.17 -3.88 118.16 114.85 2wbd n LYS 112 Ca 0.00 -1.05 -0.32 0.00 -1.05 0.00 0.00 58.31 55.90 2wbd n LYS 112 Cb 0.00 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 32.84 2wbd n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2wbd s TYR 113 N -2.37 3.26 -0.13 5.58 2.02 -0.54 -1.28 117.35 123.89 2wbd s TYR 113 Ca 0.23 0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 57.06 2wbd s TYR 113 Cb 0.19 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 2wbd s TYR 113 CO 0.50 0.54 -0.06 0.08 -1.57 0.00 0.00 175.55 175.04 2wbd s VAL 114 N -1.29 3.68 -0.08 0.71 1.01 0.22 -1.16 120.40 123.48 2wbd s VAL 114 Ca 0.26 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2wbd s VAL 114 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2wbd s VAL 114 CO 0.18 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.95 2wbd s VAL 115 N 0.10 1.49 -0.14 2.92 1.01 -0.85 0.52 120.40 125.46 2wbd s VAL 115 Ca -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2wbd s VAL 115 Cb -0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 2wbd s VAL 115 CO 0.03 0.44 -0.09 0.00 0.00 0.00 0.00 175.10 175.48 2wbd s PHE 117 N 0.28 -0.16 -0.38 0.00 -0.71 0.24 0.13 117.98 117.37 2wbd s PHE 117 Ca -0.07 0.16 -0.03 0.00 -1.04 0.00 0.00 56.93 55.95 2wbd s PHE 117 Cb -0.15 0.11 0.09 0.00 -1.21 0.00 0.00 43.02 41.86 2wbd s PHE 117 CO 0.04 -0.46 0.15 0.34 -1.34 0.00 0.00 175.22 173.96 2wbd s ASP 118 N -1.68 5.18 0.24 1.98 -1.08 0.21 -2.28 116.67 119.25 2wbd s ASP 118 Ca -0.09 -1.78 -0.03 0.00 -0.52 0.00 0.00 52.55 50.13 2wbd s ASP 118 Cb -0.03 -1.81 0.28 0.00 -1.46 0.00 0.00 42.92 39.91 2wbd s ASP 118 CO 0.01 -0.46 1.73 1.55 0.52 0.00 0.00 175.17 178.52 2wbd h PRO 119 N 8.05 0.83 -2.31 4.34 0.13 -1.87 -2.04 132.00 139.13 2wbd h PRO 119 Ca -0.16 -0.24 -0.55 0.00 -0.87 0.00 0.00 66.00 64.18 2wbd h PRO 119 Cb 1.05 -0.09 -0.37 0.00 0.13 0.00 0.00 31.00 31.73 2wbd h PRO 119 CO 0.65 0.85 -0.91 -1.17 -0.23 0.00 0.00 178.00 177.19 2wbd s LEU 120 N -9.16 1.08 0.45 1.56 2.96 -1.26 -4.30 118.68 110.00 2wbd s LEU 120 Ca -0.10 -2.74 -0.24 0.00 -0.22 0.00 0.00 54.13 50.83 2wbd s LEU 120 Cb 0.14 -0.25 -0.08 0.00 0.50 0.00 0.00 46.19 46.51 2wbd s LEU 120 CO 0.82 -0.20 1.19 -0.62 -1.32 0.00 0.00 176.35 176.22 2wbd s ASP 121 N 0.38 6.22 0.00 3.68 2.15 0.50 -3.38 116.67 126.22 2wbd s ASP 121 Ca 0.29 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.64 2wbd s ASP 121 Cb -0.03 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2wbd s ASP 121 CO -0.14 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.58 2wbd n GLY 122 N 0.53 0.64 0.28 2.66 0.00 -1.26 -2.98 105.19 105.06 2wbd n GLY 122 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.26 2wbd n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wbd h SER 123 N 0.00 0.00 -0.05 1.61 4.64 -1.94 -0.88 113.55 116.94 2wbd h SER 123 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2wbd h SER 123 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2wbd h SER 123 CO 0.00 0.00 0.21 0.77 -0.87 0.00 0.00 176.83 176.94 2wbd h SER 124 N 0.00 0.00 -0.06 4.97 4.64 -1.90 -1.78 113.55 119.42 2wbd h SER 124 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wbd h SER 124 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2wbd h SER 124 CO 0.00 0.00 -0.13 0.59 -0.87 0.00 0.00 176.83 176.42 2wbd n ASN 125 N -3.13 2.38 0.31 4.97 3.02 -0.33 -4.69 115.26 117.78 2wbd n ASN 125 Ca -0.01 -3.33 0.21 0.00 -0.03 0.00 0.00 54.58 51.41 2wbd n ASN 125 Cb 0.28 -0.48 1.06 0.00 -0.61 0.00 0.00 39.78 40.03 2wbd n ASN 125 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2wbd h ILE 126 N 0.53 0.00 0.00 2.41 2.10 -1.40 -2.70 117.51 118.44 2wbd h ILE 126 Ca 0.02 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.87 2wbd h ILE 126 Cb 1.10 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 37.85 2wbd h ILE 126 CO 0.05 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.56 2wbd h ASP 127 N 0.00 0.00 -0.02 2.19 3.32 -1.84 -2.47 116.42 117.61 2wbd h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wbd h ASP 127 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2wbd h ASP 127 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2wbd n LEU 129 N -1.28 -1.47 -4.75 0.00 4.77 -0.93 -4.95 117.00 108.40 2wbd n LEU 129 Ca 0.15 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.81 2wbd n LEU 129 Cb 0.62 -2.37 0.05 0.00 -2.33 0.00 0.00 43.42 39.39 2wbd n LEU 129 CO 0.02 -0.08 0.86 0.54 -1.33 0.00 0.00 177.39 177.39 2wbd s VAL 130 N -2.78 2.45 0.20 4.08 0.11 -1.25 -4.94 120.40 118.27 2wbd s VAL 130 Ca 0.07 0.27 -0.32 0.00 -2.93 0.00 0.00 61.98 59.08 2wbd s VAL 130 Cb -0.04 -3.09 -0.12 0.00 -1.53 0.00 0.00 36.38 31.60 2wbd s VAL 130 CO 0.09 -0.06 1.72 -0.44 -3.33 0.00 0.00 175.10 173.07 2wbd s SER 131 N -1.56 6.39 0.38 3.54 0.01 -1.26 -4.84 113.70 116.35 2wbd s SER 131 Ca 0.79 2.85 0.02 0.00 1.31 0.00 0.00 55.95 60.92 2wbd s SER 131 Cb -0.32 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.33 2wbd s SER 131 CO 0.36 -0.97 0.19 1.33 0.41 0.00 0.00 173.24 174.56 2wbd n VAL 132 N 4.02 0.00 -3.62 3.43 0.24 -1.16 -4.74 118.33 116.50 2wbd n VAL 132 Ca 0.16 -1.60 -0.03 0.00 -2.04 0.00 0.00 64.34 60.84 2wbd n VAL 132 Cb 0.35 0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.72 2wbd n VAL 132 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wbd s GLY 133 N -3.27 -0.35 -0.13 7.63 0.00 -1.16 -0.49 107.32 109.54 2wbd s GLY 133 Ca 0.14 0.96 0.03 0.00 0.00 0.00 0.00 44.72 45.85 2wbd s GLY 133 CO 0.09 0.27 -0.22 -1.59 0.00 0.00 0.00 173.10 171.65 2wbd s THR 134 N -2.65 2.10 -0.08 0.90 2.01 0.83 -0.37 115.64 118.39 2wbd s THR 134 Ca 0.11 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 2wbd s THR 134 Cb 0.01 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 2wbd s THR 134 CO -0.04 0.55 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.77 2wbd s ILE 135 N 0.74 3.99 -0.00 1.82 1.01 -0.77 -0.02 121.20 127.97 2wbd s ILE 135 Ca -0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 2wbd s ILE 135 Cb -0.16 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 2wbd s ILE 135 CO -0.00 0.60 0.06 0.72 0.00 0.00 0.00 174.94 176.32 2wbd s PHE 136 N -0.84 0.08 -0.07 3.97 -0.12 -0.31 -0.62 117.98 120.08 2wbd s PHE 136 Ca 0.13 -0.16 0.03 0.00 -0.05 0.00 0.00 56.93 56.87 2wbd s PHE 136 Cb -0.11 -0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.21 2wbd s PHE 136 CO 0.02 -0.18 -0.14 0.20 -0.05 0.00 0.00 175.22 175.07 2wbd s GLY 137 N -0.96 0.86 -0.15 1.99 0.00 0.34 -2.01 107.32 107.38 2wbd s GLY 137 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.11 2wbd s GLY 137 CO 0.00 0.01 -0.15 -0.42 0.00 0.00 0.00 173.10 172.54 2wbd s ILE 138 N 0.54 2.73 0.07 0.90 1.01 0.92 -0.81 121.20 126.56 2wbd s ILE 138 Ca -0.14 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 59.85 2wbd s ILE 138 Cb -0.15 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2wbd s ILE 138 CO 0.04 0.51 -0.24 -0.31 0.00 0.00 0.00 174.94 174.95 2wbd s TYR 139 N 0.75 2.07 0.06 3.97 2.02 0.18 -0.32 117.35 126.08 2wbd s TYR 139 Ca -0.06 -0.39 -0.27 0.00 -0.37 0.00 0.00 57.07 55.98 2wbd s TYR 139 Cb -0.15 -1.19 -0.05 0.00 -0.40 0.00 0.00 41.96 40.16 2wbd s TYR 139 CO 0.01 0.17 0.83 0.50 -1.57 0.00 0.00 175.55 175.50 2wbd s ARG 140 N -1.51 4.56 0.10 -0.62 3.52 -1.26 0.71 118.95 124.44 2wbd s ARG 140 Ca 0.10 1.19 -0.31 0.00 -0.13 0.00 0.00 55.73 56.59 2wbd s ARG 140 Cb -0.10 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 29.83 2wbd s ARG 140 CO 0.03 0.23 1.70 0.21 -0.81 0.00 0.00 175.30 176.66 2wbd s LYS 141 N 0.08 4.18 -0.05 5.12 2.20 -0.41 -4.84 119.74 126.01 2wbd s LYS 141 Ca 0.42 2.42 0.15 0.00 -0.36 0.00 0.00 55.97 58.59 2wbd s LYS 141 Cb -0.21 -3.55 -0.22 0.00 -1.51 0.00 0.00 37.83 32.34 2wbd s LYS 141 CO 0.25 -0.76 0.57 1.63 -0.36 0.00 0.00 175.35 176.68 2wbd n LYS 142 N 5.46 0.64 -2.69 4.03 4.76 -1.26 -4.98 118.16 124.12 2wbd n LYS 142 Ca 0.16 0.21 -0.21 0.00 -2.87 0.00 0.00 58.31 55.60 2wbd n LYS 142 Cb 0.40 -1.73 0.09 0.00 -1.84 0.00 0.00 35.03 31.94 2wbd n LYS 142 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2wbd n SER 143 N -2.93 1.65 -0.00 4.39 3.41 -1.26 -5.05 113.62 113.83 2wbd n SER 143 Ca -0.18 -2.28 0.02 0.00 -0.26 0.00 0.00 58.87 56.16 2wbd n SER 143 Cb 1.02 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2wbd n SER 143 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wbd n THR 144 N -2.53 0.00 -0.78 6.66 -1.04 -1.26 -5.03 114.28 110.30 2wbd n THR 144 Ca 0.16 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 2wbd n THR 144 Cb 0.57 0.45 0.13 0.00 -1.82 0.00 0.00 70.33 69.67 2wbd n THR 144 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2wbd n ASP 145 N -1.60 -2.58 -4.64 8.00 9.92 -1.26 -4.90 116.55 119.49 2wbd n ASP 145 Ca -0.01 0.12 -0.46 0.00 -0.53 0.00 0.00 54.79 53.92 2wbd n ASP 145 Cb 0.10 -1.03 -0.03 0.00 -0.64 0.00 0.00 41.12 39.52 2wbd n ASP 145 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2wbd n GLU 146 N -1.26 1.75 -1.63 -1.24 4.07 -1.26 -4.92 120.64 116.15 2wbd n GLU 146 Ca 0.03 0.62 -0.39 0.00 -0.06 0.00 0.00 57.16 57.36 2wbd n GLU 146 Cb 0.58 -2.21 0.03 0.00 -0.06 0.00 0.00 31.44 29.79 2wbd n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wbd n PRO 147 N 1.75 1.25 -3.84 5.31 -0.04 -1.26 -5.04 135.00 133.13 2wbd n PRO 147 Ca 0.12 0.46 -0.07 0.00 -0.04 0.00 0.00 63.50 63.97 2wbd n PRO 147 Cb 0.30 -2.17 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 2wbd n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2wbd s SER 148 N -0.94 -0.17 0.35 3.54 1.04 -1.26 -5.04 113.70 111.21 2wbd s SER 148 Ca 0.69 -0.74 0.13 0.00 0.48 0.00 0.00 55.95 56.51 2wbd s SER 148 Cb -0.48 0.74 0.97 0.00 0.10 0.00 0.00 66.02 67.35 2wbd s SER 148 CO 0.52 -1.39 1.74 -0.08 0.98 0.00 0.00 173.24 175.01 2wbd h GLU 149 N 2.00 0.50 -1.00 4.02 4.81 -1.95 -0.72 114.58 122.25 2wbd h GLU 149 Ca -0.23 -0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.19 2wbd h GLU 149 Cb 1.25 -0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 2wbd h GLU 149 CO 0.28 0.33 0.62 0.87 -0.73 0.00 0.00 179.01 180.39 2wbd h LYS 150 N 0.51 0.55 0.00 1.92 1.57 -1.97 0.11 116.57 119.26 2wbd h LYS 150 Ca 0.63 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2wbd h LYS 150 Cb 1.34 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wbd h LYS 150 CO -0.41 0.36 0.15 -0.44 -0.57 0.00 0.00 179.45 178.54 2wbd h ASP 151 N 0.57 0.00 0.43 0.86 3.32 -1.54 0.23 116.42 120.29 2wbd h ASP 151 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2wbd h ASP 151 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2wbd h ASP 151 CO -0.33 0.00 -0.43 0.00 -1.72 0.00 0.00 179.24 176.76 2wbd n ALA 152 N -1.89 3.42 -2.58 3.45 0.00 0.03 -4.59 120.51 118.35 2wbd n ALA 152 Ca -0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2wbd n ALA 152 Cb 0.20 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2wbd n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wbd n LEU 153 N -1.27 6.10 -4.25 0.00 4.77 0.81 -4.92 117.00 118.24 2wbd n LEU 153 Ca 0.07 -4.58 -0.26 0.00 -0.03 0.00 0.00 56.01 51.22 2wbd n LEU 153 Cb 0.34 -1.53 -0.14 0.00 -2.33 0.00 0.00 43.42 39.75 2wbd n LEU 153 CO 0.33 1.13 -0.52 -1.10 -1.33 0.00 0.00 177.39 175.89 2wbd s GLN 154 N 0.82 1.43 0.69 3.23 -0.21 -1.26 -4.74 119.66 119.62 2wbd s GLN 154 Ca 0.41 -0.93 -0.15 0.00 0.02 0.00 0.00 55.36 54.71 2wbd s GLN 154 Cb 0.05 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.54 2wbd s GLN 154 CO 0.00 0.39 1.14 -1.25 -2.12 0.00 0.00 175.29 173.46 2wbd s PRO 155 N -1.12 2.55 0.39 2.91 0.04 -1.26 -4.63 135.00 133.88 2wbd s PRO 155 Ca 0.08 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.80 2wbd s PRO 155 Cb -0.09 -1.91 1.08 0.00 0.04 0.00 0.00 34.50 33.62 2wbd s PRO 155 CO 0.02 -1.47 1.76 0.78 0.04 0.00 0.00 177.00 178.12 2wbd h GLY 156 N -0.11 1.34 0.36 0.56 0.00 -1.18 -0.88 103.07 103.17 2wbd h GLY 156 Ca -0.47 -0.22 0.22 0.00 0.00 0.00 0.00 47.33 46.86 2wbd h GLY 156 CO 0.52 -0.17 0.61 3.21 0.00 0.00 0.00 176.54 180.72 2wbd h ARG 157 N 0.41 0.00 -0.00 4.80 2.47 -0.99 -1.16 114.38 119.91 2wbd h ARG 157 Ca 0.61 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.33 2wbd h ARG 157 Cb 1.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2wbd h ARG 157 CO -0.33 0.00 0.00 0.09 0.56 0.00 0.00 179.97 180.29 2wbd n ASN 158 N -4.02 0.12 -4.73 7.04 3.02 -0.33 -4.91 115.26 111.45 2wbd n ASN 158 Ca 0.15 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 2wbd n ASN 158 Cb 0.88 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 2wbd n ASN 158 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wbd s LEU 159 N -1.99 4.36 0.08 3.41 1.43 -0.44 -4.51 118.68 121.01 2wbd s LEU 159 Ca 0.47 2.88 0.02 0.00 -1.03 0.00 0.00 54.13 56.46 2wbd s LEU 159 Cb 0.22 -3.61 -0.25 0.00 0.03 0.00 0.00 46.19 42.58 2wbd s LEU 159 CO 0.36 -0.95 1.15 0.58 0.23 0.00 0.00 176.35 177.72 2wbd h VAL 160 N 3.70 1.52 -1.56 -1.59 2.07 -1.02 -3.48 116.25 115.89 2wbd h VAL 160 Ca -0.44 -3.18 0.08 0.00 0.82 0.00 0.00 66.70 63.98 2wbd h VAL 160 Cb 1.21 2.86 -0.25 0.00 -1.52 0.00 0.00 31.29 33.58 2wbd h VAL 160 CO 0.91 0.90 0.52 0.00 0.02 0.00 0.00 177.57 179.92 2wbd s ALA 161 N -2.67 -1.96 0.28 1.67 0.00 -1.18 -4.49 121.76 113.41 2wbd s ALA 161 Ca -0.02 1.72 -0.10 0.00 0.00 0.00 0.00 51.96 53.56 2wbd s ALA 161 Cb 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2wbd s ALA 161 CO 0.85 -0.27 0.50 0.00 0.00 0.00 0.00 175.76 176.84 2wbd s ALA 162 N -0.46 -0.01 0.00 0.00 0.00 -0.73 -0.06 121.76 120.51 2wbd s ALA 162 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.93 2wbd s ALA 162 Cb -0.03 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.16 2wbd s ALA 162 CO -0.03 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.30 2wbd n GLY 163 N -0.44 -0.51 3.42 0.00 0.00 -0.85 -0.39 105.19 106.43 2wbd n GLY 163 Ca -0.01 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2wbd n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wbd s TYR 164 N -3.25 -0.47 -0.17 1.61 -0.85 -0.74 -1.17 117.35 112.32 2wbd s TYR 164 Ca 0.00 0.23 -0.02 0.00 -0.52 0.00 0.00 57.07 56.76 2wbd s TYR 164 Cb 0.00 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 2wbd s TYR 164 CO 0.00 -0.84 -0.08 0.00 -1.52 0.00 0.00 175.55 173.11 2wbd s ALA 165 N -3.77 2.76 -0.25 9.51 0.00 0.97 -1.10 121.76 129.88 2wbd s ALA 165 Ca 0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2wbd s ALA 165 Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 2wbd s ALA 165 CO -0.12 0.01 0.11 -1.17 0.00 0.00 0.00 175.76 174.59 2wbd s LEU 166 N 0.74 3.72 -1.14 0.00 2.96 -0.05 -0.12 118.68 124.79 2wbd s LEU 166 Ca -0.04 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 2wbd s LEU 166 Cb -0.15 -2.00 0.26 0.00 0.50 0.00 0.00 46.19 44.80 2wbd s LEU 166 CO 0.02 -0.01 1.23 -1.22 -1.32 0.00 0.00 176.35 175.05 2wbd n TYR 167 N 4.75 4.94 0.00 5.38 4.01 0.36 -1.39 117.16 135.21 2wbd n TYR 167 Ca -0.15 -3.67 0.00 0.00 -0.16 0.00 0.00 57.90 53.91 2wbd n TYR 167 Cb 0.52 -1.78 0.00 0.00 -0.31 0.00 0.00 39.34 37.77 2wbd n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wbd n GLY 168 N 2.85 1.90 0.19 2.72 0.00 -1.26 -2.99 105.19 108.59 2wbd n GLY 168 Ca 0.27 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.43 2wbd n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wbd h SER 169 N 0.00 0.00 -4.82 1.61 4.64 -1.99 -3.42 113.55 109.58 2wbd h SER 169 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2wbd h SER 169 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 2wbd h SER 169 CO 0.00 0.35 -0.64 0.00 -0.87 0.00 0.00 176.83 175.67 2wbd s ALA 170 N -4.02 1.31 -0.22 5.18 0.00 -1.26 -5.15 121.76 117.59 2wbd s ALA 170 Ca -0.02 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.19 2wbd s ALA 170 Cb 0.13 0.81 -0.05 0.00 0.00 0.00 0.00 23.12 24.02 2wbd s ALA 170 CO 0.70 -0.41 0.21 0.99 0.00 0.00 0.00 175.76 177.24 2wbd s THR 171 N -3.82 5.33 -0.01 0.00 2.01 -1.26 -4.59 115.64 113.31 2wbd s THR 171 Ca 0.28 0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.64 2wbd s THR 171 Cb 0.07 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2wbd s THR 171 CO 0.06 0.34 -0.17 -0.32 -0.69 0.00 0.00 174.62 173.85 2wbd s MET 172 N 0.99 1.32 -0.29 4.92 -2.45 -0.48 -0.56 119.30 122.75 2wbd s MET 172 Ca 0.10 -0.61 -0.07 0.00 -1.25 0.00 0.00 55.69 53.86 2wbd s MET 172 Cb -0.13 -1.28 0.01 0.00 1.25 0.00 0.00 34.83 34.67 2wbd s MET 172 CO 0.04 0.35 0.07 -1.17 1.05 0.00 0.00 175.02 175.36 2wbd s LEU 173 N -0.46 3.76 -0.35 4.11 2.96 0.15 -0.87 118.68 127.98 2wbd s LEU 173 Ca 0.06 -0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 53.19 2wbd s LEU 173 Cb -0.07 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2wbd s LEU 173 CO -0.00 -0.17 0.24 -0.69 -1.32 0.00 0.00 176.35 174.41 2wbd s VAL 174 N 1.50 5.17 -0.18 1.68 1.01 -0.26 -0.21 120.40 129.12 2wbd s VAL 174 Ca 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2wbd s VAL 174 Cb -0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 2wbd s VAL 174 CO 0.02 -0.07 -0.09 -0.22 0.00 0.00 0.00 175.10 174.74 2wbd s LEU 175 N 1.70 2.75 -0.14 3.92 2.96 0.81 -1.79 118.68 128.89 2wbd s LEU 175 Ca 0.06 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 2wbd s LEU 175 Cb -0.18 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 2wbd s LEU 175 CO 0.10 0.05 -0.07 0.00 -1.32 0.00 0.00 176.35 175.11 2wbd s ALA 176 N 1.02 2.86 0.22 5.97 0.00 0.48 -0.27 121.76 132.04 2wbd s ALA 176 Ca -0.00 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2wbd s ALA 176 Cb -0.15 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2wbd s ALA 176 CO -0.01 0.24 0.13 -1.33 0.00 0.00 0.00 175.76 174.79 2wbd n MET 177 N 3.50 0.45 -0.29 0.00 2.81 0.33 -1.77 117.12 122.14 2wbd n MET 177 Ca -0.18 -2.00 0.11 0.00 -1.81 0.00 0.00 57.70 53.82 2wbd n MET 177 Cb 0.53 1.39 0.26 0.00 -0.71 0.00 0.00 33.22 34.69 2wbd n MET 177 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2wbd h ASP 178 N 1.10 0.24 0.00 7.83 3.32 -1.95 -0.91 116.42 126.04 2wbd h ASP 178 Ca -0.16 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wbd h ASP 178 Cb 0.71 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2wbd h ASP 178 CO 0.24 -0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 2wbd n GLY 180 N 0.59 0.41 3.27 0.00 0.00 -0.35 -4.94 105.19 104.18 2wbd n GLY 180 Ca 0.16 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 2wbd n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wbd s VAL 181 N -0.10 2.95 -0.04 1.61 1.01 -1.26 -0.51 120.40 124.05 2wbd s VAL 181 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2wbd s VAL 181 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2wbd s VAL 181 CO 0.00 0.47 -0.23 0.20 0.00 0.00 0.00 175.10 175.54 2wbd s ASN 182 N 1.25 2.80 -0.18 3.32 -0.87 0.63 -1.01 114.94 120.89 2wbd s ASN 182 Ca 0.03 -0.46 -0.04 0.00 -1.57 0.00 0.00 52.86 50.82 2wbd s ASN 182 Cb -0.14 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.25 40.41 2wbd s ASN 182 CO -0.05 0.24 -0.03 0.00 -2.57 0.00 0.00 177.10 174.69 2wbd s PHE 184 N 0.81 2.08 -0.08 0.00 0.40 0.71 -1.42 117.98 120.48 2wbd s PHE 184 Ca -0.01 -0.92 -0.16 0.00 -0.60 0.00 0.00 56.93 55.24 2wbd s PHE 184 Cb -0.14 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 2wbd s PHE 184 CO 0.02 -0.43 0.42 1.41 0.70 0.00 0.00 175.22 177.33 2wbd s MET 185 N 0.74 4.17 -0.20 0.44 1.75 0.88 0.31 119.30 127.39 2wbd s MET 185 Ca -0.11 0.37 -0.27 0.00 -1.25 0.00 0.00 55.69 54.42 2wbd s MET 185 Cb -0.16 -3.35 -0.00 0.00 2.84 0.00 0.00 34.83 34.15 2wbd s MET 185 CO 0.02 0.37 0.92 -1.17 -0.65 0.00 0.00 175.02 174.52 2wbd s LEU 186 N -0.04 4.14 -0.57 4.11 2.96 0.27 0.38 118.68 129.93 2wbd s LEU 186 Ca 0.23 1.26 -0.20 0.00 -0.22 0.00 0.00 54.13 55.20 2wbd s LEU 186 Cb -0.15 -3.37 0.07 0.00 0.50 0.00 0.00 46.19 43.24 2wbd s LEU 186 CO 0.10 -0.52 0.76 -0.62 -1.32 0.00 0.00 176.35 174.75 2wbd s ASP 187 N 1.21 6.22 0.40 3.68 -1.08 -0.21 -4.66 116.67 122.23 2wbd s ASP 187 Ca 0.41 -1.01 0.28 0.00 -0.52 0.00 0.00 52.55 51.71 2wbd s ASP 187 Cb -0.16 -2.34 1.37 0.00 -1.46 0.00 0.00 42.92 40.33 2wbd s ASP 187 CO 0.10 -1.11 1.86 -0.65 0.52 0.00 0.00 175.17 175.89 2wbd h PRO 188 N 9.20 0.00 -0.42 4.34 0.11 -1.95 0.18 132.00 143.46 2wbd h PRO 188 Ca -0.28 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.69 2wbd h PRO 188 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2wbd h PRO 188 CO 1.06 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.55 2wbd h ALA 189 N 2.08 0.67 0.00 -0.75 0.00 -1.96 -3.33 119.26 115.97 2wbd h ALA 189 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wbd h ALA 189 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wbd h ALA 189 CO 0.00 0.67 -0.27 0.44 0.00 0.00 0.00 179.25 180.10 2wbd n ILE 190 N -4.08 0.00 -2.83 0.00 -5.35 -0.94 -5.03 119.36 101.13 2wbd n ILE 190 Ca -0.01 -0.37 -0.10 0.00 -0.27 0.00 0.00 62.75 62.00 2wbd n ILE 190 Cb 0.50 0.99 0.05 0.00 -1.74 0.00 0.00 39.64 39.43 2wbd n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wbd n GLY 191 N 1.14 0.06 2.97 3.28 0.00 0.58 -5.06 105.19 108.16 2wbd n GLY 191 Ca 0.01 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2wbd n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbd s GLU 192 N -4.95 0.64 -0.34 1.61 0.41 -1.19 -4.99 118.70 109.89 2wbd s GLU 192 Ca 0.08 -0.23 -0.24 0.00 -0.41 0.00 0.00 54.97 54.17 2wbd s GLU 192 Cb -0.03 -0.62 0.01 0.00 -1.78 0.00 0.00 34.13 31.70 2wbd s GLU 192 CO 0.38 0.11 0.82 -0.06 -0.49 0.00 0.00 175.26 176.03 2wbd s PHE 193 N 0.04 3.15 -0.22 1.61 0.08 -1.26 -1.04 117.98 120.35 2wbd s PHE 193 Ca -0.00 0.74 -0.09 0.00 0.12 0.00 0.00 56.93 57.70 2wbd s PHE 193 Cb -0.05 -3.37 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2wbd s PHE 193 CO -0.00 -0.67 0.11 0.42 -0.10 0.00 0.00 175.22 174.98 2wbd s ILE 194 N 3.12 5.00 -0.28 0.64 -1.09 0.16 -1.06 121.20 127.70 2wbd s ILE 194 Ca 0.34 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.52 2wbd s ILE 194 Cb -0.13 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 2wbd s ILE 194 CO 0.15 0.39 1.80 -0.22 -1.23 0.00 0.00 174.94 175.83 2wbd s LEU 195 N 0.82 3.63 -0.01 2.97 2.96 -0.47 -0.08 118.68 128.49 2wbd s LEU 195 Ca 0.06 1.49 0.08 0.00 -0.22 0.00 0.00 54.13 55.53 2wbd s LEU 195 Cb -0.13 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 42.92 2wbd s LEU 195 CO 0.02 -1.59 0.21 1.33 -1.32 0.00 0.00 176.35 175.01 2wbd n VAL 196 N 7.14 0.00 -3.57 1.68 0.24 -0.51 -4.78 118.33 118.54 2wbd n VAL 196 Ca 0.22 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.34 62.10 2wbd n VAL 196 Cb 0.46 0.52 -0.15 0.00 -1.47 0.00 0.00 33.84 33.20 2wbd n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wbd s ASP 197 N -2.55 1.48 0.13 -1.34 1.01 -0.98 -5.03 116.67 109.39 2wbd s ASP 197 Ca -0.01 -0.19 -0.12 0.00 0.71 0.00 0.00 52.55 52.94 2wbd s ASP 197 Cb 0.05 0.18 -0.06 0.00 1.01 0.00 0.00 42.92 44.10 2wbd s ASP 197 CO 0.32 -0.31 0.49 -0.54 0.21 0.00 0.00 175.17 175.33 2wbd s LYS 198 N 2.27 3.87 -1.20 8.23 1.02 -1.26 -1.64 119.74 131.03 2wbd s LYS 198 Ca 0.05 0.34 -0.27 0.00 0.02 0.00 0.00 55.97 56.11 2wbd s LYS 198 Cb -0.15 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2wbd s LYS 198 CO -0.10 0.49 0.70 -3.47 -0.92 0.00 0.00 175.35 172.06 2wbd n ASP 199 N 0.74 -4.38 -4.76 2.83 -0.08 -1.03 -4.86 116.55 105.01 2wbd n ASP 199 Ca -0.06 -1.17 -0.40 0.00 -1.51 0.00 0.00 54.79 51.66 2wbd n ASP 199 Cb 0.52 -2.46 -0.04 0.00 2.34 0.00 0.00 41.12 41.48 2wbd n ASP 199 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2wbd s VAL 200 N -3.54 3.42 -0.05 5.18 1.01 -0.18 -4.88 120.40 121.36 2wbd s VAL 200 Ca 0.46 1.35 0.03 0.00 0.00 0.00 0.00 61.98 63.81 2wbd s VAL 200 Cb -0.21 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2wbd s VAL 200 CO 0.92 0.26 -0.13 -0.54 0.00 0.00 0.00 175.10 175.62 2wbd s LYS 201 N -1.72 1.59 0.64 2.72 -0.14 -1.26 -4.52 119.74 117.05 2wbd s LYS 201 Ca 0.48 -0.45 -0.16 0.00 -1.36 0.00 0.00 55.97 54.48 2wbd s LYS 201 Cb -0.31 -1.35 -0.01 0.00 -1.68 0.00 0.00 37.83 34.48 2wbd s LYS 201 CO 0.40 0.10 1.14 -1.50 -0.76 0.00 0.00 175.35 174.73 2wbd s ILE 202 N 0.41 3.00 0.80 2.17 2.07 -0.50 -5.01 121.20 124.15 2wbd s ILE 202 Ca -0.10 0.52 -0.13 0.00 -1.41 0.00 0.00 60.65 59.53 2wbd s ILE 202 Cb -0.13 -3.09 0.08 0.00 0.13 0.00 0.00 42.46 39.45 2wbd s ILE 202 CO 0.03 -0.24 1.19 -0.54 -1.91 0.00 0.00 174.94 173.47 2wbd s LYS 203 N -3.80 1.73 0.30 3.50 1.02 -1.26 -4.94 119.74 116.30 2wbd s LYS 203 Ca 0.71 1.68 0.15 0.00 0.02 0.00 0.00 55.97 58.53 2wbd s LYS 203 Cb -0.24 -1.79 0.38 0.00 -0.52 0.00 0.00 37.83 35.65 2wbd s LYS 203 CO 0.38 -2.12 1.59 -0.22 -0.92 0.00 0.00 175.35 174.05 2wbd h LYS 204 N -0.89 0.00 -2.16 1.68 3.64 -1.95 -3.40 116.57 113.49 2wbd h LYS 204 Ca -0.46 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2wbd h LYS 204 Cb 1.29 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.88 2wbd h LYS 204 CO 0.47 0.52 -0.14 0.21 -2.27 0.00 0.00 179.45 178.24 2wbd s LYS 205 N -3.34 0.56 0.00 1.90 2.20 -1.26 -2.14 119.74 117.65 2wbd s LYS 205 Ca 0.01 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 2wbd s LYS 205 Cb 0.10 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.89 2wbd s LYS 205 CO 0.73 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 2wbd n GLY 206 N 4.97 2.02 0.43 5.54 0.00 -1.26 -4.81 105.19 112.07 2wbd n GLY 206 Ca -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2wbd n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wbd n LYS 207 N -0.15 0.00 -3.90 1.61 5.02 -1.26 -4.78 118.16 114.69 2wbd n LYS 207 Ca 0.00 -0.82 -0.19 0.00 -2.02 0.00 0.00 58.31 55.28 2wbd n LYS 207 Cb 0.00 -0.44 -0.17 0.00 -0.02 0.00 0.00 35.03 34.40 2wbd n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wbd s ILE 208 N 0.00 0.25 0.16 -0.18 1.01 -1.26 0.11 121.20 121.28 2wbd s ILE 208 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.81 2wbd s ILE 208 Cb 0.00 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 2wbd s ILE 208 CO 0.00 0.19 0.07 -0.72 0.00 0.00 0.00 174.94 174.47 2wbd s TYR 209 N 1.34 3.02 -0.14 3.97 1.13 -0.86 -0.81 117.35 124.99 2wbd s TYR 209 Ca -0.05 -0.06 -0.04 0.00 -1.41 0.00 0.00 57.07 55.51 2wbd s TYR 209 Cb -0.13 -1.47 0.06 0.00 -1.10 0.00 0.00 41.96 39.32 2wbd s TYR 209 CO -0.02 0.52 0.11 0.45 -2.51 0.00 0.00 175.55 174.10 2wbd s SER 210 N -2.94 1.79 0.31 -0.18 0.15 0.16 -3.05 113.70 109.94 2wbd s SER 210 Ca 0.29 -0.32 -0.18 0.00 0.70 0.00 0.00 55.95 56.44 2wbd s SER 210 Cb -0.10 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.20 2wbd s SER 210 CO 0.21 -0.32 0.86 -1.48 1.20 0.00 0.00 173.24 173.71 2wbd s LEU 211 N 2.19 -0.03 -0.75 3.45 2.34 -1.26 0.24 118.68 124.86 2wbd s LEU 211 Ca 0.03 -0.94 -0.21 0.00 0.06 0.00 0.00 54.13 53.08 2wbd s LEU 211 Cb -0.15 2.60 0.09 0.00 -0.56 0.00 0.00 46.19 48.18 2wbd s LEU 211 CO -0.08 -1.44 1.01 0.21 -1.06 0.00 0.00 176.35 174.99 2wbd s ASN 212 N -3.14 6.33 0.00 1.48 3.84 -1.26 -4.77 114.94 117.42 2wbd s ASN 212 Ca 0.17 -1.38 0.24 0.00 0.21 0.00 0.00 52.86 52.10 2wbd s ASN 212 Cb -0.04 -2.41 1.05 0.00 -0.55 0.00 0.00 41.25 39.30 2wbd s ASN 212 CO 0.09 -1.30 1.77 -0.62 -2.79 0.00 0.00 177.10 174.25 2wbd n GLU 213 N 7.26 0.06 0.26 0.43 1.02 -1.26 -2.77 120.64 125.64 2wbd n GLU 213 Ca 0.06 0.08 0.17 0.00 -0.02 0.00 0.00 57.16 57.45 2wbd n GLU 213 Cb 0.46 -1.50 0.77 0.00 -0.02 0.00 0.00 31.44 31.15 2wbd n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2wbd h GLY 214 N 4.08 0.00 -3.57 0.62 0.00 -2.06 -2.75 103.07 99.39 2wbd h GLY 214 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2wbd h GLY 214 CO 0.00 0.00 0.48 -1.72 0.00 0.00 0.00 176.54 175.30 2wbd n TYR 215 N -2.87 2.67 -0.10 5.60 4.01 -1.11 -4.74 117.16 120.61 2wbd n TYR 215 Ca -0.00 -2.06 0.02 0.00 -0.16 0.00 0.00 57.90 55.70 2wbd n TYR 215 Cb 0.22 -0.93 0.32 0.00 -0.31 0.00 0.00 39.34 38.64 2wbd n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wbd h ALA 216 N 1.25 1.55 -0.39 -0.72 0.00 -1.71 -1.25 119.26 117.99 2wbd h ALA 216 Ca 0.53 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.50 2wbd h ALA 216 Cb 2.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2wbd h ALA 216 CO 1.04 0.40 0.40 -0.22 0.00 0.00 0.00 179.25 180.87 2wbd h LYS 217 N 0.77 0.00 -0.02 0.00 3.64 -1.88 -2.41 116.57 116.67 2wbd h LYS 217 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2wbd h LYS 217 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2wbd h LYS 217 CO -0.04 0.00 -0.18 -0.25 -2.27 0.00 0.00 179.45 176.71 2wbd n ASP 218 N -3.79 2.12 -4.59 4.20 8.00 -0.48 -5.01 116.55 117.01 2wbd n ASP 218 Ca 0.07 -1.56 -0.39 0.00 0.71 0.00 0.00 54.79 53.61 2wbd n ASP 218 Cb 0.57 0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.94 2wbd n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2wbd n PHE 219 N 0.47 0.67 -1.89 1.24 3.72 -0.91 -4.53 117.46 116.23 2wbd n PHE 219 Ca 0.09 0.48 -0.40 0.00 -0.05 0.00 0.00 57.45 57.57 2wbd n PHE 219 Cb 0.41 -2.14 0.01 0.00 -0.94 0.00 0.00 39.48 36.83 2wbd n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2wbd s ASP 220 N -1.05 6.05 0.40 4.37 -1.08 -1.26 -4.84 116.67 119.27 2wbd s ASP 220 Ca 0.70 2.84 0.16 0.00 -0.52 0.00 0.00 52.55 55.72 2wbd s ASP 220 Cb -0.47 -2.65 1.03 0.00 -1.46 0.00 0.00 42.92 39.37 2wbd s ASP 220 CO 0.52 -1.05 1.85 -0.65 0.52 0.00 0.00 175.17 176.36 2wbd h PRO 221 N 2.49 0.45 -0.46 4.34 0.11 -1.96 0.81 132.00 137.79 2wbd h PRO 221 Ca -0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 2wbd h PRO 221 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wbd h PRO 221 CO 0.62 0.30 0.13 0.00 -0.21 0.00 0.00 178.00 178.84 2wbd h ALA 222 N 1.61 0.60 -0.40 -0.75 0.00 -1.92 -2.20 119.26 116.21 2wbd h ALA 222 Ca 0.48 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2wbd h ALA 222 Cb 1.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2wbd h ALA 222 CO -0.20 0.27 0.01 0.28 0.00 0.00 0.00 179.25 179.61 2wbd h VAL 223 N 0.61 1.26 -0.36 0.00 2.07 -1.42 -2.15 116.25 116.26 2wbd h VAL 223 Ca 0.15 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.74 2wbd h VAL 223 Cb 0.29 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2wbd h VAL 223 CO -0.00 0.33 -0.02 0.74 0.02 0.00 0.00 177.57 178.65 2wbd h THR 224 N 0.54 0.72 -0.20 2.57 2.02 -0.85 -1.65 112.91 116.06 2wbd h THR 224 Ca 0.12 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 2wbd h THR 224 Cb 0.46 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2wbd h THR 224 CO 0.02 0.01 -0.02 -0.08 0.37 0.00 0.00 175.52 175.82 2wbd h GLU 225 N 0.08 0.37 -0.04 6.66 4.81 -1.25 -1.71 114.58 123.49 2wbd h GLU 225 Ca 0.17 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2wbd h GLU 225 Cb 0.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2wbd h GLU 225 CO -0.31 0.59 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.61 2wbd h TYR 226 N 0.11 -0.07 -0.81 0.92 3.20 -1.26 0.11 116.97 119.17 2wbd h TYR 226 Ca 0.05 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2wbd h TYR 226 Cb 0.44 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2wbd h TYR 226 CO 0.04 -0.05 0.54 0.82 -1.64 0.00 0.00 178.16 177.87 2wbd h ILE 227 N -0.03 1.20 -0.95 1.81 1.08 -1.30 -1.37 117.51 117.94 2wbd h ILE 227 Ca 0.03 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.18 2wbd h ILE 227 Cb 0.08 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 33.78 2wbd h ILE 227 CO -0.07 0.20 0.62 -0.61 -0.69 0.00 0.00 178.15 177.61 2wbd h GLN 228 N 1.09 1.11 -0.05 2.37 -0.00 -0.72 -1.99 115.11 116.92 2wbd h GLN 228 Ca 0.30 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.80 2wbd h GLN 228 Cb -0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.10 2wbd h GLN 228 CO -0.07 0.73 -0.35 0.00 0.00 0.00 0.00 178.83 179.15 2wbd h ARG 229 N 1.14 0.10 0.00 1.69 3.08 0.25 -0.98 114.38 119.66 2wbd h ARG 229 Ca 0.40 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.29 2wbd h ARG 229 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2wbd h ARG 229 CO -0.14 0.44 -0.57 0.87 -1.07 0.00 0.00 179.97 179.49 2wbd h LYS 230 N 0.08 0.00 0.13 0.04 1.79 -0.65 -3.14 116.57 114.82 2wbd h LYS 230 Ca 0.01 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.15 2wbd h LYS 230 Cb 0.66 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 2wbd h LYS 230 CO 0.05 0.57 -1.73 0.87 -1.08 0.00 0.00 179.45 178.13 2wbd h LYS 231 N 0.00 0.27 -2.78 3.15 1.57 -1.13 -2.36 116.57 115.29 2wbd h LYS 231 Ca -0.01 -0.45 -0.60 0.00 -1.87 0.00 0.00 60.65 57.72 2wbd h LYS 231 Cb 1.22 0.17 -0.40 0.00 0.08 0.00 0.00 32.23 33.30 2wbd h LYS 231 CO 0.07 1.13 -0.78 -0.06 -0.57 0.00 0.00 179.45 179.24 2wbd s PHE 232 N -2.59 2.02 0.21 -1.35 0.40 -0.39 -4.71 117.98 111.57 2wbd s PHE 232 Ca -0.14 -2.58 -0.30 0.00 -0.60 0.00 0.00 56.93 53.31 2wbd s PHE 232 Cb 0.06 -1.72 -0.09 0.00 0.51 0.00 0.00 43.02 41.79 2wbd s PHE 232 CO 0.83 -0.74 1.21 -2.14 0.70 0.00 0.00 175.22 175.08 2wbd s PRO 233 N -0.17 4.48 0.12 0.24 0.02 -1.19 -4.60 135.00 133.90 2wbd s PRO 233 Ca 0.25 1.92 -0.17 0.00 0.02 0.00 0.00 61.00 63.02 2wbd s PRO 233 Cb -0.10 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 2wbd s PRO 233 CO -0.11 -0.08 1.64 -1.00 -0.33 0.00 0.00 177.00 177.12 2wbd h PRO 234 N 4.93 0.50 0.00 5.54 0.13 -1.96 -1.94 132.00 139.21 2wbd h PRO 234 Ca -0.45 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2wbd h PRO 234 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wbd h PRO 234 CO 0.73 0.53 0.00 -0.40 -0.23 0.00 0.00 178.00 178.63 2wbd n ASP 235 N -4.68 0.00 -0.85 1.44 5.75 -1.26 -4.87 116.55 112.08 2wbd n ASP 235 Ca -0.02 0.45 -0.11 0.00 -0.01 0.00 0.00 54.79 55.11 2wbd n ASP 235 Cb 0.16 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 2wbd n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wbd n ASN 236 N -1.46 -4.96 -3.12 -1.12 4.13 -0.73 -5.02 115.26 102.97 2wbd n ASN 236 Ca 0.01 0.27 -0.17 0.00 1.68 0.00 0.00 54.58 56.37 2wbd n ASN 236 Cb 0.03 -3.44 0.16 0.00 -1.54 0.00 0.00 39.78 34.99 2wbd n ASN 236 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wbd n SER 237 N -0.56 -2.97 -4.77 6.41 3.41 -1.26 -4.95 113.62 108.93 2wbd n SER 237 Ca -0.11 -0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 57.53 2wbd n SER 237 Cb 0.47 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 2wbd n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wbd s ALA 238 N -2.24 3.39 0.68 7.33 0.00 -1.26 -4.69 121.76 124.97 2wbd s ALA 238 Ca 0.39 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 53.27 2wbd s ALA 238 Cb -0.06 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.67 2wbd s ALA 238 CO 0.32 -0.45 1.14 -1.25 0.00 0.00 0.00 175.76 175.52 2wbd s PRO 239 N -1.78 2.58 0.79 0.00 0.04 -1.26 -4.95 135.00 130.41 2wbd s PRO 239 Ca 0.49 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 2wbd s PRO 239 Cb -0.35 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.34 2wbd s PRO 239 CO 0.46 -1.44 1.09 0.71 0.04 0.00 0.00 177.00 177.86 2wbd s TYR 240 N -2.24 2.56 0.41 0.56 1.51 -0.89 -5.05 117.35 114.21 2wbd s TYR 240 Ca 0.69 1.51 -0.00 0.00 -1.01 0.00 0.00 57.07 58.26 2wbd s TYR 240 Cb -0.23 -3.06 -0.02 0.00 -0.11 0.00 0.00 41.96 38.54 2wbd s TYR 240 CO 0.43 -1.86 0.63 0.20 -1.11 0.00 0.00 175.55 173.84 2wbd s GLY 241 N -3.41 1.46 -0.11 0.71 0.00 0.29 -4.88 107.32 101.37 2wbd s GLY 241 Ca 0.61 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 44.42 2wbd s GLY 241 CO 0.56 -0.79 -0.10 0.00 0.00 0.00 0.00 173.10 172.77 2wbd s ALA 242 N -2.48 2.80 -0.03 3.20 0.00 -1.26 -2.04 121.76 121.96 2wbd s ALA 242 Ca 0.45 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 2wbd s ALA 242 Cb -0.10 -1.26 0.03 0.00 0.00 0.00 0.00 23.12 21.79 2wbd s ALA 242 CO 0.38 0.37 0.05 1.03 0.00 0.00 0.00 175.76 177.58 2wbd s ARG 243 N -0.09 -0.03 -0.29 0.00 1.81 -1.17 -5.00 118.95 114.18 2wbd s ARG 243 Ca -0.00 0.23 -0.01 0.00 -1.72 0.00 0.00 55.73 54.22 2wbd s ARG 243 Cb -0.14 -0.26 0.13 0.00 -0.45 0.00 0.00 34.95 34.23 2wbd s ARG 243 CO 0.03 -0.18 0.25 -0.47 -0.68 0.00 0.00 175.30 174.25 2wbd s TYR 244 N 1.18 -0.26 0.12 -0.53 5.04 -1.26 -4.20 117.35 117.44 2wbd s TYR 244 Ca -0.08 -0.36 -0.14 0.00 -2.44 0.00 0.00 57.07 54.04 2wbd s TYR 244 Cb -0.13 -0.57 -0.03 0.00 0.35 0.00 0.00 41.96 41.58 2wbd s TYR 244 CO -0.03 -0.90 1.55 0.28 -1.34 0.00 0.00 175.55 175.11 2wbd h VAL 245 N 6.28 1.27 0.00 3.14 2.07 -1.96 -3.47 116.25 123.58 2wbd h VAL 245 Ca -0.15 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2wbd h VAL 245 Cb 1.06 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2wbd h VAL 245 CO 0.36 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.92 2wbd n GLY 246 N -0.29 0.71 3.16 2.17 0.00 -1.26 -5.07 105.19 104.61 2wbd n GLY 246 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2wbd n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wbd s SER 247 N -2.38 3.14 0.08 1.61 0.15 -1.26 -4.96 113.70 110.07 2wbd s SER 247 Ca 0.00 -0.61 -0.36 0.00 0.70 0.00 0.00 55.95 55.67 2wbd s SER 247 Cb 0.00 -1.46 -0.18 0.00 -1.71 0.00 0.00 66.02 62.67 2wbd s SER 247 CO 0.00 0.06 1.57 -0.03 1.20 0.00 0.00 173.24 176.04 2wbd h MET 248 N 7.47 -1.08 -0.76 5.44 4.05 -1.93 0.21 114.93 128.34 2wbd h MET 248 Ca -0.36 0.07 0.16 0.00 -0.28 0.00 0.00 59.70 59.30 2wbd h MET 248 Cb 1.18 0.25 -0.14 0.00 -0.80 0.00 0.00 31.60 32.09 2wbd h MET 248 CO 0.58 -0.72 -0.09 0.28 0.23 0.00 0.00 176.91 177.18 2wbd h VAL 249 N -1.12 0.29 -0.19 -5.77 2.07 -1.94 1.18 116.25 110.77 2wbd h VAL 249 Ca -0.09 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2wbd h VAL 249 Cb 0.93 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2wbd h VAL 249 CO 0.04 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.64 2wbd h ALA 250 N 1.73 0.26 -0.78 1.67 0.00 -1.77 0.13 119.26 120.51 2wbd h ALA 250 Ca 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wbd h ALA 250 Cb 0.65 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2wbd h ALA 250 CO -0.73 -0.03 0.37 -0.44 0.00 0.00 0.00 179.25 178.42 2wbd h ASP 251 N 0.10 1.03 0.27 0.00 3.32 0.24 -1.79 116.42 119.59 2wbd h ASP 251 Ca 0.06 -0.14 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 2wbd h ASP 251 Cb 0.38 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2wbd h ASP 251 CO 0.01 0.88 -0.81 0.58 -1.72 0.00 0.00 179.24 178.18 2wbd h VAL 252 N 1.11 1.38 -0.34 -1.35 2.07 0.16 -2.24 116.25 117.04 2wbd h VAL 252 Ca 0.27 -2.25 -0.11 0.00 0.82 0.00 0.00 66.70 65.43 2wbd h VAL 252 Cb 0.13 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2wbd h VAL 252 CO -0.03 0.68 -0.21 -0.74 0.02 0.00 0.00 177.57 177.29 2wbd h HIS 253 N 0.27 0.86 -0.47 1.57 -0.00 -0.75 -2.13 115.15 114.50 2wbd h HIS 253 Ca -0.05 -0.23 0.07 0.00 -0.00 0.00 0.00 60.37 60.16 2wbd h HIS 253 Cb 1.41 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 28.57 2wbd h HIS 253 CO 0.05 0.96 0.14 -0.09 -0.00 0.00 0.00 177.93 178.99 2wbd h ARG 254 N 0.51 0.29 -0.02 5.26 2.43 -1.30 -0.23 114.38 121.32 2wbd h ARG 254 Ca 0.07 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2wbd h ARG 254 Cb 0.76 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 2wbd h ARG 254 CO 0.06 0.19 -0.31 1.15 -1.51 0.00 0.00 179.97 179.55 2wbd h THR 255 N 0.30 0.31 -0.92 0.20 2.02 -1.35 0.50 112.91 113.97 2wbd h THR 255 Ca 0.23 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.55 2wbd h THR 255 Cb 0.26 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 66.89 2wbd h THR 255 CO -0.26 0.00 0.53 0.25 0.37 0.00 0.00 175.52 176.41 2wbd h LEU 256 N -0.45 0.69 0.02 2.58 5.85 -1.02 0.45 115.31 123.43 2wbd h LEU 256 Ca 0.07 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2wbd h LEU 256 Cb 0.55 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2wbd h LEU 256 CO -0.27 0.30 -0.01 0.58 -0.34 0.00 0.00 178.44 178.70 2wbd h VAL 257 N 0.75 1.49 -0.01 1.05 2.07 -0.17 -3.40 116.25 118.02 2wbd h VAL 257 Ca 0.50 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2wbd h VAL 257 Cb 0.66 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2wbd h VAL 257 CO -0.34 0.46 -0.52 -1.22 0.02 0.00 0.00 177.57 175.97 2wbd n TYR 258 N -4.70 0.00 -0.19 1.57 4.01 0.17 -4.89 117.16 113.12 2wbd n TYR 258 Ca -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.68 2wbd n TYR 258 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.39 2wbd n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wbd n GLY 259 N 1.41 -2.56 0.00 2.72 0.00 0.16 -4.66 105.19 102.25 2wbd n GLY 259 Ca 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2wbd n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbd n GLY 260 N -2.42 0.24 3.15 -0.02 0.00 -1.26 -4.34 105.19 100.54 2wbd n GLY 260 Ca -0.01 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 2wbd n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wbd s ILE 261 N -1.65 0.01 -0.06 -0.61 2.07 0.01 -0.92 121.20 120.05 2wbd s ILE 261 Ca 0.00 -0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.23 2wbd s ILE 261 Cb 0.00 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 2wbd s ILE 261 CO 0.00 -0.04 -0.24 0.12 -1.91 0.00 0.00 174.94 172.87 2wbd s PHE 262 N -0.04 2.39 -0.06 3.50 5.36 -0.03 0.37 117.98 129.47 2wbd s PHE 262 Ca -0.02 -0.75 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 2wbd s PHE 262 Cb -0.02 -1.58 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 2wbd s PHE 262 CO 0.01 -0.24 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.92 2wbd s LEU 263 N -0.07 1.53 -0.55 6.12 1.02 0.14 -1.50 118.68 125.36 2wbd s LEU 263 Ca -0.06 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 53.90 2wbd s LEU 263 Cb -0.14 -0.69 0.18 0.00 0.02 0.00 0.00 46.19 45.56 2wbd s LEU 263 CO 0.04 0.00 0.45 0.00 0.02 0.00 0.00 176.35 176.87 2wbd n TYR 264 N 3.91 1.22 -2.11 0.29 4.19 -0.45 -4.39 117.16 119.82 2wbd n TYR 264 Ca -0.24 -3.81 -0.27 0.00 3.31 0.00 0.00 57.90 56.89 2wbd n TYR 264 Cb 0.51 -0.22 0.09 0.00 0.49 0.00 0.00 39.34 40.22 2wbd n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2wbd s PRO 265 N -0.88 1.87 0.78 2.98 0.04 -1.26 -2.46 135.00 136.06 2wbd s PRO 265 Ca 0.30 -0.24 -0.11 0.00 0.04 0.00 0.00 61.00 60.99 2wbd s PRO 265 Cb 0.03 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.55 2wbd s PRO 265 CO -0.17 -1.52 1.09 0.00 0.04 0.00 0.00 177.00 176.44 2wbd s ALA 266 N -3.42 2.29 0.26 8.56 0.00 -1.26 -4.56 121.76 123.62 2wbd s ALA 266 Ca 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 2wbd s ALA 266 Cb -0.09 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2wbd s ALA 266 CO 0.47 -1.66 0.36 0.27 0.00 0.00 0.00 175.76 175.20 2wbd n ASN 267 N -3.40 -1.00 -0.11 0.00 0.23 -0.48 -4.17 115.26 106.32 2wbd n ASN 267 Ca 0.07 -2.40 -0.07 0.00 -0.53 0.00 0.00 54.58 51.65 2wbd n ASN 267 Cb 0.55 1.88 0.01 0.00 -2.08 0.00 0.00 39.78 40.14 2wbd n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2wbd h LYS 268 N 0.00 0.34 -0.32 -3.83 6.56 -1.92 -1.64 116.57 115.77 2wbd h LYS 268 Ca -0.20 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.30 2wbd h LYS 268 Cb 0.88 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.44 2wbd h LYS 268 CO 0.27 0.23 -0.08 -0.22 -2.06 0.00 0.00 179.45 177.59 2wbd h LYS 269 N 0.35 0.52 -2.58 3.15 3.64 -1.97 -3.36 116.57 116.32 2wbd h LYS 269 Ca 0.15 -0.14 -0.60 0.00 -1.27 0.00 0.00 60.65 58.80 2wbd h LYS 269 Cb 0.08 -0.06 -0.39 0.00 -0.41 0.00 0.00 32.23 31.44 2wbd h LYS 269 CO -0.12 0.61 -0.87 -1.12 -2.27 0.00 0.00 179.45 175.68 2wbd s SER 270 N -6.76 2.44 0.01 4.20 0.01 -1.05 -5.00 113.70 107.56 2wbd s SER 270 Ca -0.07 -3.02 0.23 0.00 1.31 0.00 0.00 55.95 54.40 2wbd s SER 270 Cb 0.15 -0.69 0.99 0.00 0.21 0.00 0.00 66.02 66.68 2wbd s SER 270 CO 0.77 -0.19 1.75 -0.81 0.41 0.00 0.00 173.24 175.18 2wbd n PRO 271 N 2.95 0.01 -0.42 12.44 -0.04 -0.64 -1.39 135.00 147.92 2wbd n PRO 271 Ca 0.23 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.88 2wbd n PRO 271 Cb 0.43 -1.52 0.24 0.00 -0.04 0.00 0.00 33.50 32.61 2wbd n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wbd n ASN 272 N -1.54 3.54 -0.15 3.54 4.13 -1.26 -4.74 115.26 118.77 2wbd n ASN 272 Ca 0.06 -3.09 0.00 0.00 1.68 0.00 0.00 54.58 53.22 2wbd n ASN 272 Cb 0.28 -0.54 0.00 0.00 -1.54 0.00 0.00 39.78 37.98 2wbd n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wbd n GLY 273 N -0.71 -0.63 0.00 7.41 0.00 -0.82 -1.98 105.19 108.47 2wbd n GLY 273 Ca 0.22 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2wbd n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wbd n LYS 274 N -0.29 2.45 -2.44 1.61 4.81 -1.26 -4.78 118.16 118.26 2wbd n LYS 274 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 2wbd n LYS 274 Cb 0.00 -0.76 -0.03 0.00 0.02 0.00 0.00 35.03 34.27 2wbd n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wbd s LEU 275 N -2.09 3.77 -0.01 3.14 1.43 -1.26 -4.89 118.68 118.77 2wbd s LEU 275 Ca 0.00 1.90 -0.25 0.00 -1.03 0.00 0.00 54.13 54.76 2wbd s LEU 275 Cb 0.00 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2wbd s LEU 275 CO 0.00 -0.86 0.75 -0.13 0.23 0.00 0.00 176.35 176.35 2wbd s ARG 276 N -3.42 4.47 0.04 1.70 1.81 -1.26 -2.14 118.95 120.15 2wbd s ARG 276 Ca 0.66 1.01 -0.25 0.00 -1.72 0.00 0.00 55.73 55.44 2wbd s ARG 276 Cb -0.16 -3.41 -0.17 0.00 -0.45 0.00 0.00 34.95 30.76 2wbd s ARG 276 CO 0.24 0.17 1.53 1.25 -0.68 0.00 0.00 175.30 177.80 2wbd h LEU 277 N 6.22 -0.06 -0.64 2.53 5.85 -1.25 -1.11 115.31 126.85 2wbd h LEU 277 Ca -0.43 -0.19 -0.13 0.00 0.84 0.00 0.00 57.88 57.98 2wbd h LEU 277 Cb 1.20 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2wbd h LEU 277 CO 0.73 0.15 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.55 2wbd h LEU 278 N -0.27 0.69 -2.09 2.25 3.38 -1.80 0.67 115.31 118.13 2wbd h LEU 278 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2wbd h LEU 278 Cb 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wbd h LEU 278 CO 0.01 0.99 0.00 0.00 0.09 0.00 0.00 178.44 179.53 2wbd n TYR 279 N -4.05 0.00 0.06 1.13 0.18 -1.23 -4.51 117.16 108.74 2wbd n TYR 279 Ca -0.01 -0.29 0.00 0.00 1.88 0.00 0.00 57.90 59.48 2wbd n TYR 279 Cb 0.50 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 2wbd n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2wbd n GLU 280 N -0.29 0.00 0.41 -3.48 1.02 -0.69 -4.03 120.64 113.58 2wbd n GLU 280 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2wbd n GLU 280 Cb 0.24 -0.24 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2wbd n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wbd h ASN 282 N -1.09 -0.10 -0.25 0.00 -0.26 -1.10 0.12 115.58 112.89 2wbd h ASN 282 Ca -0.10 0.05 -0.05 0.00 -0.56 0.00 0.00 56.30 55.63 2wbd h ASN 282 Cb 0.80 0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.14 2wbd h ASN 282 CO 0.17 -0.02 -0.00 -0.65 -1.06 0.00 0.00 177.43 175.87 2wbd h PRO 283 N 0.06 0.56 0.00 0.81 0.11 -1.79 -0.55 132.00 131.20 2wbd h PRO 283 Ca 0.11 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 2wbd h PRO 283 Cb 0.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2wbd h PRO 283 CO -0.19 0.59 -0.30 0.52 -0.21 0.00 0.00 178.00 178.42 2wbd h MET 284 N 0.54 0.00 -0.14 1.05 2.86 -1.14 -2.24 114.93 115.85 2wbd h MET 284 Ca 0.11 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 2wbd h MET 284 Cb 0.35 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2wbd h MET 284 CO 0.01 0.30 -0.62 0.00 1.06 0.00 0.00 176.91 177.66 2wbd h ALA 285 N 1.70 0.27 -0.08 6.32 0.00 0.03 -2.17 119.26 125.33 2wbd h ALA 285 Ca -0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2wbd h ALA 285 Cb 0.95 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wbd h ALA 285 CO 0.04 0.53 0.01 -0.92 0.00 0.00 0.00 179.25 178.91 2wbd h TYR 286 N 0.35 0.15 -0.34 0.00 5.03 -1.05 0.84 116.97 121.95 2wbd h TYR 286 Ca -0.04 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.31 2wbd h TYR 286 Cb 1.25 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 2wbd h TYR 286 CO 0.10 0.37 0.02 0.28 -1.32 0.00 0.00 178.16 177.61 2wbd h VAL 287 N -0.11 0.77 -0.69 1.81 2.07 -1.49 0.23 116.25 118.84 2wbd h VAL 287 Ca 0.03 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.58 2wbd h VAL 287 Cb 0.31 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 2wbd h VAL 287 CO 0.00 0.02 0.36 0.24 0.02 0.00 0.00 177.57 178.21 2wbd h MET 288 N 0.13 0.61 -0.23 1.57 2.86 -1.15 -2.41 114.93 116.31 2wbd h MET 288 Ca 0.17 -0.04 -0.20 0.00 -2.06 0.00 0.00 59.70 57.57 2wbd h MET 288 Cb 0.22 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2wbd h MET 288 CO -0.26 0.40 -0.64 0.93 1.06 0.00 0.00 176.91 178.40 2wbd h GLU 289 N 0.63 0.83 0.00 1.72 5.08 -0.06 0.25 114.58 123.03 2wbd h GLU 289 Ca 0.33 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2wbd h GLU 289 Cb 0.31 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2wbd h GLU 289 CO -0.24 1.21 0.00 1.63 -1.00 0.00 0.00 179.01 180.61 2wbd n LYS 290 N -3.97 0.17 -0.27 2.33 4.76 -0.00 -1.43 118.16 119.74 2wbd n LYS 290 Ca -0.06 0.48 0.10 0.00 -2.87 0.00 0.00 58.31 55.96 2wbd n LYS 290 Cb 0.68 -1.88 0.25 0.00 -1.84 0.00 0.00 35.03 32.24 2wbd n LYS 290 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wbd n ALA 291 N -1.76 2.33 -2.15 7.82 0.00 -0.92 -4.38 120.51 121.45 2wbd n ALA 291 Ca 0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 53.44 52.25 2wbd n ALA 291 Cb 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2wbd n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbd n GLY 292 N 1.28 0.32 0.00 0.00 0.00 -0.52 -1.42 105.19 104.87 2wbd n GLY 292 Ca 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2wbd n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbd n GLY 293 N -0.96 5.51 2.98 -0.02 0.00 0.86 -4.70 105.19 108.85 2wbd n GLY 293 Ca -0.03 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 2wbd n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wbd s MET 294 N -0.71 0.50 -0.05 1.61 -1.94 -0.83 -4.19 119.30 113.70 2wbd s MET 294 Ca 0.00 -0.25 0.01 0.00 -1.71 0.00 0.00 55.69 53.73 2wbd s MET 294 Cb 0.00 -0.48 0.02 0.00 2.01 0.00 0.00 34.83 36.39 2wbd s MET 294 CO 0.00 0.13 -0.04 0.00 -0.01 0.00 0.00 175.02 175.10 2wbd s ALA 295 N -0.21 0.70 0.07 3.03 0.00 -1.26 -1.66 121.76 122.42 2wbd s ALA 295 Ca 0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 2wbd s ALA 295 Cb -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2wbd s ALA 295 CO -0.00 -0.10 0.10 -0.08 0.00 0.00 0.00 175.76 175.68 2wbd s THR 296 N 1.10 0.17 -0.95 0.00 -1.32 0.52 -3.46 115.64 111.70 2wbd s THR 296 Ca -0.08 -1.37 0.21 0.00 -1.21 0.00 0.00 61.69 59.24 2wbd s THR 296 Cb -0.14 -1.31 -0.23 0.00 -1.51 0.00 0.00 72.50 69.31 2wbd s THR 296 CO -0.01 -0.76 0.87 0.35 -2.21 0.00 0.00 174.62 172.87 2wbd n THR 297 N 0.16 0.00 0.00 5.08 -2.24 0.54 0.11 114.28 117.93 2wbd n THR 297 Ca -0.15 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2wbd n THR 297 Cb 0.61 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2wbd n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbd n GLY 298 N 1.49 3.06 0.08 3.38 0.00 -1.26 -4.77 105.19 107.16 2wbd n GLY 298 Ca 0.04 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2wbd n GLY 298 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wbd h LYS 299 N 0.00 0.02 -3.81 1.61 1.57 -1.98 -3.49 116.57 110.50 2wbd h LYS 299 Ca 0.00 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2wbd h LYS 299 Cb 0.00 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.24 2wbd h LYS 299 CO 0.00 0.68 -0.16 -1.83 -0.57 0.00 0.00 179.45 177.57 2wbd s GLU 300 N -2.63 1.65 0.19 3.15 -1.05 -1.26 -5.13 118.70 113.62 2wbd s GLU 300 Ca -0.04 -1.42 -0.31 0.00 -0.15 0.00 0.00 54.97 53.05 2wbd s GLU 300 Cb 0.08 0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 2wbd s GLU 300 CO 0.82 -0.68 1.46 0.00 0.95 0.00 0.00 175.26 177.81 2wbd s ALA 301 N -3.70 3.66 0.16 -0.84 0.00 -1.26 -0.34 121.76 119.44 2wbd s ALA 301 Ca 0.25 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.33 2wbd s ALA 301 Cb -0.00 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.64 2wbd s ALA 301 CO 0.12 -0.71 1.68 0.28 0.00 0.00 0.00 175.76 177.13 2wbd h VAL 302 N 3.83 0.64 0.00 0.00 2.07 -1.86 -1.70 116.25 119.22 2wbd h VAL 302 Ca -0.44 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2wbd h VAL 302 Cb 1.21 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2wbd h VAL 302 CO 0.83 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 178.36 2wbd h LEU 303 N 0.02 0.00 0.00 2.57 3.38 -1.91 -2.92 115.31 116.45 2wbd h LEU 303 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wbd h LEU 303 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wbd h LEU 303 CO -0.37 0.00 -1.21 0.47 0.09 0.00 0.00 178.44 177.41 2wbd n ASP 304 N -2.52 0.58 -4.69 -0.43 8.00 -0.65 -0.28 116.55 116.57 2wbd n ASP 304 Ca -0.02 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.71 2wbd n ASP 304 Cb 0.07 1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.22 2wbd n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wbd s VAL 305 N -3.21 2.88 -0.35 2.53 1.01 -1.10 -4.91 120.40 117.24 2wbd s VAL 305 Ca 0.02 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 2wbd s VAL 305 Cb 0.15 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2wbd s VAL 305 CO 0.84 -0.00 0.81 -0.63 0.00 0.00 0.00 175.10 176.12 2wbd s ILE 306 N 2.83 4.72 0.65 2.22 1.01 -1.26 -4.27 121.20 127.09 2wbd s ILE 306 Ca 0.77 1.04 -0.13 0.00 0.00 0.00 0.00 60.65 62.34 2wbd s ILE 306 Cb -0.42 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 37.82 2wbd s ILE 306 CO 0.34 -0.40 1.05 -2.84 0.00 0.00 0.00 174.94 173.10 2wbd s PRO 307 N 3.13 3.16 0.00 2.79 0.02 -1.26 -4.96 135.00 137.87 2wbd s PRO 307 Ca 0.33 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.37 2wbd s PRO 307 Cb -0.13 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2wbd s PRO 307 CO 0.16 -0.93 0.02 0.25 -0.33 0.00 0.00 177.00 176.17 2wbd n THR 308 N -2.68 0.00 -3.87 0.99 -2.24 -1.26 -4.84 114.28 100.39 2wbd n THR 308 Ca 0.08 -0.10 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2wbd n THR 308 Cb 0.53 1.17 -0.16 0.00 -2.10 0.00 0.00 70.33 69.78 2wbd n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wbd s ASP 309 N -0.16 0.23 0.53 3.42 -1.08 -1.26 -5.04 116.67 113.30 2wbd s ASP 309 Ca 0.00 0.00 0.30 0.00 -0.52 0.00 0.00 52.55 52.33 2wbd s ASP 309 Cb 0.00 -0.13 1.43 0.00 -1.46 0.00 0.00 42.92 42.77 2wbd s ASP 309 CO 0.00 -0.09 2.04 0.16 0.52 0.00 0.00 175.17 177.80 2wbd h ILE 310 N 6.09 0.40 -0.55 4.11 3.07 -1.95 -2.08 117.51 126.61 2wbd h ILE 310 Ca -0.42 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.40 2wbd h ILE 310 Cb 1.14 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 2wbd h ILE 310 CO 0.48 0.11 0.00 1.41 -1.05 0.00 0.00 178.15 179.10 2wbd n HIS 311 N -3.43 1.74 -2.11 0.16 8.25 -1.26 -4.57 115.22 114.00 2wbd n HIS 311 Ca -0.01 -0.71 -0.34 0.00 -0.26 0.00 0.00 57.72 56.40 2wbd n HIS 311 Cb 0.27 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 30.99 2wbd n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2wbd s GLN 312 N -2.49 3.28 0.12 -0.41 -2.07 -0.79 -4.85 119.66 112.46 2wbd s GLN 312 Ca 0.52 1.38 0.03 0.00 -1.82 0.00 0.00 55.36 55.46 2wbd s GLN 312 Cb 0.38 -2.02 -0.04 0.00 -1.09 0.00 0.00 33.01 30.24 2wbd s GLN 312 CO 0.17 -0.86 0.14 1.03 -1.32 0.00 0.00 175.29 174.45 2wbd s ARG 313 N -3.74 3.03 0.05 9.60 0.52 -1.26 -0.76 118.95 126.38 2wbd s ARG 313 Ca 0.67 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 55.19 2wbd s ARG 313 Cb -0.19 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2wbd s ARG 313 CO 0.33 0.54 -0.07 0.00 0.02 0.00 0.00 175.30 176.12 2wbd s ALA 314 N -1.58 0.55 0.55 2.13 0.00 -0.89 -4.78 121.76 117.74 2wbd s ALA 314 Ca 0.31 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 2wbd s ALA 314 Cb -0.11 0.09 -0.06 0.00 0.00 0.00 0.00 23.12 23.04 2wbd s ALA 314 CO 0.24 -0.09 1.04 -2.14 0.00 0.00 0.00 175.76 174.81 2wbd s PRO 315 N -1.99 3.57 -0.07 0.00 0.02 -0.84 -4.09 135.00 131.60 2wbd s PRO 315 Ca -0.07 1.20 -0.03 0.00 0.02 0.00 0.00 61.00 62.12 2wbd s PRO 315 Cb -0.07 -2.07 0.04 0.00 0.02 0.00 0.00 34.50 32.42 2wbd s PRO 315 CO -0.01 -0.60 0.15 0.54 -0.33 0.00 0.00 177.00 176.74 2wbd s VAL 316 N -2.35 -0.11 -0.09 3.83 0.11 -1.03 -4.25 120.40 116.52 2wbd s VAL 316 Ca 0.64 0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.94 2wbd s VAL 316 Cb -0.15 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2wbd s VAL 316 CO 0.31 0.10 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.41 2wbd s ILE 317 N 1.50 1.32 0.12 7.04 1.09 0.12 -1.34 121.20 131.05 2wbd s ILE 317 Ca -0.06 -0.56 -0.08 0.00 -1.10 0.00 0.00 60.65 58.85 2wbd s ILE 317 Cb -0.12 -1.21 -0.01 0.00 -1.06 0.00 0.00 42.46 40.06 2wbd s ILE 317 CO -0.06 0.40 0.23 -1.48 -0.10 0.00 0.00 174.94 173.93 2wbd s LEU 318 N 0.87 1.23 0.00 2.97 0.05 -0.56 -0.35 118.68 122.89 2wbd s LEU 318 Ca -0.10 -0.77 0.00 0.00 0.05 0.00 0.00 54.13 53.31 2wbd s LEU 318 Cb -0.15 1.08 0.00 0.00 -2.05 0.00 0.00 46.19 45.06 2wbd s LEU 318 CO 0.01 -0.80 0.00 0.61 -0.55 0.00 0.00 176.35 175.62 2wbd n GLY 319 N -0.13 0.69 3.66 -3.48 0.00 -0.66 -0.85 105.19 104.41 2wbd n GLY 319 Ca -0.11 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 43.89 2wbd n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wbd n SER 320 N 0.00 2.55 -0.15 1.61 7.64 -0.09 -1.96 113.62 123.22 2wbd n SER 320 Ca 0.00 1.14 -0.04 0.00 1.01 0.00 0.00 58.87 60.98 2wbd n SER 320 Cb 0.00 -1.39 0.15 0.00 -1.01 0.00 0.00 64.21 61.96 2wbd n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wbd h PRO 321 N 4.18 0.89 -0.61 1.43 0.14 -1.77 -0.33 132.00 135.94 2wbd h PRO 321 Ca -0.45 -0.20 0.07 0.00 0.14 0.00 0.00 66.00 65.56 2wbd h PRO 321 Cb 1.29 -0.13 -0.04 0.00 0.14 0.00 0.00 31.00 32.26 2wbd h PRO 321 CO 0.76 0.81 0.41 -0.44 0.14 0.00 0.00 178.00 179.67 2wbd h ASP 322 N 0.85 0.50 0.01 1.44 5.19 -1.78 0.31 116.42 122.93 2wbd h ASP 322 Ca 0.18 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2wbd h ASP 322 Cb 0.34 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2wbd h ASP 322 CO 0.00 0.32 -0.01 0.44 -3.12 0.00 0.00 179.24 176.88 2wbd h ASP 323 N 0.56 -0.01 0.49 6.45 3.32 -1.52 -2.69 116.42 123.02 2wbd h ASP 323 Ca 0.27 -0.72 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2wbd h ASP 323 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2wbd h ASP 323 CO -0.08 0.73 -0.26 0.58 -1.72 0.00 0.00 179.24 178.49 2wbd h VAL 324 N -0.77 0.47 -0.84 -1.35 2.07 -0.76 -1.13 116.25 113.93 2wbd h VAL 324 Ca -0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 2wbd h VAL 324 Cb 0.73 0.47 -0.15 0.00 -1.52 0.00 0.00 31.29 30.83 2wbd h VAL 324 CO 0.00 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.58 2wbd h LEU 325 N -0.69 -0.31 -1.96 2.57 3.38 -0.54 0.54 115.31 118.30 2wbd h LEU 325 Ca -0.06 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2wbd h LEU 325 Cb 0.54 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wbd h LEU 325 CO 0.09 -0.21 -0.06 -0.08 0.09 0.00 0.00 178.44 178.26 2wbd h GLU 326 N 0.11 0.00 -0.07 1.13 4.81 -0.90 0.13 114.58 119.79 2wbd h GLU 326 Ca 0.49 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.49 2wbd h GLU 326 Cb 0.93 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.31 2wbd h GLU 326 CO -0.73 0.06 -0.86 0.35 -0.73 0.00 0.00 179.01 177.10 2wbd h PHE 327 N 0.00 0.88 -0.41 0.92 3.57 0.12 -3.14 116.94 118.87 2wbd h PHE 327 Ca -0.00 -0.43 -0.10 0.00 3.53 0.00 0.00 57.97 60.98 2wbd h PHE 327 Cb 0.11 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2wbd h PHE 327 CO 0.00 1.24 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.12 2wbd h LEU 328 N 0.40 0.74 -0.36 0.59 3.38 0.18 0.24 115.31 120.48 2wbd h LEU 328 Ca -0.07 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2wbd h LEU 328 Cb 1.49 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 2wbd h LEU 328 CO 0.17 0.89 -0.16 0.11 0.09 0.00 0.00 178.44 179.54 2wbd h LYS 329 N 0.68 -0.10 -0.61 1.13 6.56 -1.14 0.42 116.57 123.51 2wbd h LYS 329 Ca 0.11 0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.69 2wbd h LYS 329 Cb 0.61 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.27 2wbd h LYS 329 CO 0.04 -0.06 0.30 0.28 -2.06 0.00 0.00 179.45 177.95 2wbd h VAL 330 N -0.10 1.21 -0.59 0.50 2.07 -1.44 -2.20 116.25 115.71 2wbd h VAL 330 Ca 0.18 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2wbd h VAL 330 Cb 0.37 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2wbd h VAL 330 CO -0.42 0.24 0.35 0.22 0.02 0.00 0.00 177.57 177.97 2wbd h TYR 331 N 0.83 0.78 -0.11 1.57 3.20 0.92 -2.37 116.97 121.79 2wbd h TYR 331 Ca 0.21 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 2wbd h TYR 331 Cb 0.10 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2wbd h TYR 331 CO -0.00 0.54 -0.49 0.93 -1.64 0.00 0.00 178.16 177.50 2wbd h GLU 332 N 0.79 0.29 0.00 1.82 5.08 -0.21 -2.43 114.58 119.91 2wbd h GLU 332 Ca 0.21 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2wbd h GLU 332 Cb -0.01 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wbd h GLU 332 CO -0.04 0.71 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.39 2wbd h LYS 333 N 0.23 0.00 -0.52 2.33 3.64 -0.89 0.16 116.57 121.51 2wbd h LYS 333 Ca 0.01 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2wbd h LYS 333 Cb 0.95 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.70 2wbd h LYS 333 CO 0.08 0.08 0.10 0.72 -2.27 0.00 0.00 179.45 178.16 2wbd n HIS 334 N -3.65 1.78 0.00 1.91 8.25 -0.94 -5.04 115.22 117.53 2wbd n HIS 334 Ca -0.02 -1.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 2wbd n HIS 334 Cb 0.19 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2wbd n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wbd n SER 335 N -0.23 0.00 0.00 0.41 7.64 0.04 -4.96 113.62 116.51 2wbd n SER 335 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2wbd n SER 335 Cb 1.17 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 2wbd n SER 335 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03