#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m51 h GLU 9 N 0.00 0.00 0.40 -0.14 3.07 -2.02 -1.61 114.58 114.29 3m51 h GLU 9 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3m51 h GLU 9 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3m51 h GLU 9 CO 0.00 0.00 -0.19 0.93 -1.40 0.00 0.00 179.01 178.35 3m51 h GLU 10 N 0.00 -0.52 -0.91 2.33 5.08 -2.01 -1.89 114.58 116.66 3m51 h GLU 10 Ca 0.52 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 59.04 3m51 h GLU 10 Cb 2.41 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 31.69 3m51 h GLU 10 CO -0.01 -0.34 0.53 -0.91 -1.00 0.00 0.00 179.01 177.29 3m51 h ASN 11 N -1.14 0.73 0.22 1.42 -0.26 -1.62 3.39 115.58 118.32 3m51 h ASN 11 Ca -0.06 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3m51 h ASN 11 Cb 0.42 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.57 3m51 h ASN 11 CO 0.09 0.36 -0.49 0.58 -1.06 0.00 0.00 177.43 176.92 3m51 h VAL 12 N 0.81 0.05 0.51 2.81 2.07 -1.48 0.97 116.25 122.00 3m51 h VAL 12 Ca 0.47 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.97 3m51 h VAL 12 Cb 0.54 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3m51 h VAL 12 CO -0.30 0.00 -0.35 0.22 0.02 0.00 0.00 177.57 177.17 3m51 h TYR 13 N -0.79 -0.93 -1.14 1.57 3.20 -0.07 -0.40 116.97 118.40 3m51 h TYR 13 Ca -0.01 -0.01 0.33 0.00 3.14 0.00 0.00 58.73 62.18 3m51 h TYR 13 Cb 0.77 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 3m51 h TYR 13 CO -0.38 -0.50 0.97 0.52 -1.64 0.00 0.00 178.16 177.13 3m51 h MET 14 N -0.81 0.00 0.10 1.82 2.86 0.63 0.48 114.93 120.00 3m51 h MET 14 Ca -0.07 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3m51 h MET 14 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3m51 h MET 14 CO 0.05 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 177.97 3m51 h ALA 15 N 1.14 -0.13 -0.38 6.32 0.00 0.20 -2.80 119.26 123.61 3m51 h ALA 15 Ca 0.54 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.31 3m51 h ALA 15 Cb 2.47 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 20.29 3m51 h ALA 15 CO -0.01 -0.28 0.31 0.87 0.00 0.00 0.00 179.25 180.14 3m51 h LYS 16 N -0.71 0.00 0.70 0.00 1.57 0.15 0.17 116.57 118.45 3m51 h LYS 16 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3m51 h LYS 16 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 3m51 h LYS 16 CO 0.02 0.00 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.50 3m51 h LEU 17 N 0.00 -0.79 -1.32 2.94 3.38 -1.22 0.47 115.31 118.77 3m51 h LEU 17 Ca 0.18 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.44 3m51 h LEU 17 Cb 0.79 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 3m51 h LEU 17 CO -0.00 -0.48 0.66 0.00 0.09 0.00 0.00 178.44 178.70 3m51 h ALA 18 N -1.40 2.17 -1.21 1.53 0.00 -0.92 1.39 119.26 120.82 3m51 h ALA 18 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m51 h ALA 18 Cb 0.72 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3m51 h ALA 18 CO 0.16 -0.58 0.00 -1.91 0.00 0.00 0.00 179.25 176.92 3m51 n GLU 19 N -4.65 0.00 -0.37 0.00 2.13 0.48 0.10 120.64 118.33 3m51 n GLU 19 Ca 0.25 0.30 -0.10 0.00 0.66 0.00 0.00 57.16 58.27 3m51 n GLU 19 Cb 0.85 -1.30 -0.09 0.00 0.27 0.00 0.00 31.44 31.17 3m51 n GLU 19 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3m51 n GLN 20 N -1.40 -0.39 0.21 5.31 1.13 0.14 0.25 117.38 122.63 3m51 n GLN 20 Ca 0.00 1.37 0.18 0.00 -1.94 0.00 0.00 57.00 56.61 3m51 n GLN 20 Cb 0.00 -2.01 0.83 0.00 0.11 0.00 0.00 30.24 29.17 3m51 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3m51 h ALA 21 N 0.42 1.74 -2.61 -1.58 0.00 0.18 -3.45 119.26 113.96 3m51 h ALA 21 Ca 0.14 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 3m51 h ALA 21 Cb 0.36 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.21 3m51 h ALA 21 CO -0.83 -0.39 -0.29 0.39 0.00 0.00 0.00 179.25 178.12 3m51 n GLU 22 N -3.53 -2.71 -3.43 0.00 1.02 0.68 -4.98 120.64 107.70 3m51 n GLU 22 Ca 0.02 0.41 -0.37 0.00 -0.02 0.00 0.00 57.16 57.20 3m51 n GLU 22 Cb 0.41 -4.19 -0.04 0.00 -0.02 0.00 0.00 31.44 27.59 3m51 n GLU 22 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3m51 n ARG 23 N -2.35 3.13 0.17 3.49 1.74 0.29 -4.95 116.66 118.18 3m51 n ARG 23 Ca -0.03 -4.53 -0.14 0.00 -0.77 0.00 0.00 57.85 52.37 3m51 n ARG 23 Cb 0.55 -2.42 -0.08 0.00 -1.02 0.00 0.00 32.46 29.48 3m51 n ARG 23 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 3m51 h TYR 24 N 5.60 -0.38 -0.86 -1.55 0.05 -1.92 -2.10 116.97 115.82 3m51 h TYR 24 Ca 0.18 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.09 3m51 h TYR 24 Cb 0.74 0.12 -0.14 0.00 1.01 0.00 0.00 36.73 38.47 3m51 h TYR 24 CO 0.79 -0.12 -0.32 0.39 -1.05 0.00 0.00 178.16 177.85 3m51 n GLU 25 N -5.19 -0.19 0.25 4.88 4.71 -1.26 0.45 120.64 124.29 3m51 n GLU 25 Ca -0.10 1.32 0.07 0.00 -0.01 0.00 0.00 57.16 58.45 3m51 n GLU 25 Cb 0.23 -1.97 0.60 0.00 -1.01 0.00 0.00 31.44 29.29 3m51 n GLU 25 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3m51 h GLU 26 N 0.00 0.00 -0.32 3.49 5.08 -1.88 -0.83 114.58 120.12 3m51 h GLU 26 Ca 0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3m51 h GLU 26 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3m51 h GLU 26 CO -0.86 0.07 -0.18 1.98 -1.00 0.00 0.00 179.01 179.03 3m51 h MET 27 N 0.00 0.59 0.02 2.33 4.05 1.01 -2.52 114.93 120.41 3m51 h MET 27 Ca -0.00 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3m51 h MET 27 Cb 0.13 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3m51 h MET 27 CO 0.01 0.74 -0.01 0.28 0.23 0.00 0.00 176.91 178.16 3m51 h VAL 28 N 0.53 1.00 0.23 -5.77 2.07 0.11 -2.82 116.25 111.60 3m51 h VAL 28 Ca 0.09 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3m51 h VAL 28 Cb 0.61 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3m51 h VAL 28 CO 0.04 0.01 -0.30 -0.33 0.02 0.00 0.00 177.57 177.02 3m51 h GLU 29 N -0.05 -0.53 -1.33 1.57 5.08 -1.28 0.33 114.58 118.38 3m51 h GLU 29 Ca -0.00 0.04 0.47 0.00 -1.00 0.00 0.00 59.36 58.86 3m51 h GLU 29 Cb 0.04 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 29.27 3m51 h GLU 29 CO 0.00 -0.35 0.84 0.74 -1.00 0.00 0.00 179.01 179.24 3m51 h PHE 30 N -0.55 0.55 0.05 4.33 0.05 -1.50 0.38 116.94 120.25 3m51 h PHE 30 Ca -0.03 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 3m51 h PHE 30 Cb 0.49 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3m51 h PHE 30 CO -0.23 -0.31 -0.02 0.52 -0.18 0.00 0.00 178.31 178.09 3m51 h MET 31 N 0.01 -0.06 -0.88 1.51 2.86 -0.94 -2.17 114.93 115.26 3m51 h MET 31 Ca 0.87 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.61 3m51 h MET 31 Cb 2.74 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 34.29 3m51 h MET 31 CO -0.51 0.56 -0.54 0.93 1.06 0.00 0.00 176.91 178.41 3m51 h GLU 32 N -0.78 -0.08 -0.85 1.72 4.39 0.35 0.88 114.58 120.22 3m51 h GLU 32 Ca -0.01 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.83 3m51 h GLU 32 Cb 0.65 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.17 3m51 h GLU 32 CO 0.01 -0.05 -0.38 0.87 -1.16 0.00 0.00 179.01 178.30 3m51 h LYS 33 N -0.08 -0.06 -0.25 2.33 1.57 -0.93 -1.49 116.57 117.67 3m51 h LYS 33 Ca 0.18 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3m51 h LYS 33 Cb 0.48 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 3m51 h LYS 33 CO -0.88 -0.04 -0.15 0.28 -0.57 0.00 0.00 179.45 178.09 3m51 h VAL 34 N -0.06 0.55 0.62 0.50 2.07 0.13 0.28 116.25 120.34 3m51 h VAL 34 Ca 0.30 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.79 3m51 h VAL 34 Cb 0.58 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3m51 h VAL 34 CO -0.87 0.00 -0.40 0.28 0.02 0.00 0.00 177.57 176.59 3m51 h SER 35 N -0.14 -1.03 -0.71 0.57 0.02 0.26 -3.03 113.55 109.49 3m51 h SER 35 Ca 0.14 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3m51 h SER 35 Cb 0.34 0.31 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 3m51 h SER 35 CO -0.33 -0.61 0.40 0.78 -1.14 0.00 0.00 176.83 175.94 3m51 h ASN 36 N -0.96 0.61 0.00 3.07 4.21 -1.28 0.78 115.58 122.01 3m51 h ASN 36 Ca -0.08 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.46 3m51 h ASN 36 Cb 0.78 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 3m51 h ASN 36 CO 0.07 0.39 0.00 -1.20 -1.29 0.00 0.00 177.43 175.40 3m51 n SER 37 N -4.75 0.00 -1.23 5.81 7.64 0.97 -5.10 113.62 116.96 3m51 n SER 37 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3m51 n SER 37 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 3m51 n SER 37 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3m51 n LEU 38 N -0.18 0.00 0.00 -3.43 4.77 0.27 -5.01 117.00 113.41 3m51 n LEU 38 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3m51 n LEU 38 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3m51 n LEU 38 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.22 3m51 n GLU 41 N 0.00 0.00 -3.00 3.23 0.00 -1.26 -5.05 120.64 114.55 3m51 n GLU 41 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.16 56.72 3m51 n GLU 41 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 3m51 n GLU 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3m51 s GLU 42 N -0.63 3.13 0.19 3.44 2.56 -1.26 -5.00 118.70 121.13 3m51 s GLU 42 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 54.97 53.44 3m51 s GLU 42 Cb 0.00 -4.32 -0.15 0.00 2.00 0.00 0.00 34.13 31.66 3m51 s GLU 42 CO 0.00 -1.66 1.14 -0.11 -0.56 0.00 0.00 175.26 174.07 3m51 n LEU 43 N 6.80 1.57 -4.80 2.70 0.00 -1.26 -4.91 117.00 117.11 3m51 n LEU 43 Ca -0.04 1.15 -0.35 0.00 0.00 0.00 0.00 56.01 56.77 3m51 n LEU 43 Cb 0.44 -1.23 -0.06 0.00 0.00 0.00 0.00 43.42 42.58 3m51 n LEU 43 CO 0.59 -1.32 0.68 0.42 0.00 0.00 0.00 177.39 177.77 3m51 s THR 44 N -0.32 4.09 0.17 1.96 -4.23 -1.26 -4.77 115.64 111.27 3m51 s THR 44 Ca 0.71 1.45 -0.20 0.00 -1.18 0.00 0.00 61.69 62.47 3m51 s THR 44 Cb -0.83 -3.67 0.08 0.00 1.34 0.00 0.00 72.50 69.42 3m51 s THR 44 CO 0.53 -0.14 1.30 0.52 -0.54 0.00 0.00 174.62 176.30 3m51 n VAL 45 N -0.33 -0.51 0.00 2.29 0.31 -1.26 -0.31 118.33 118.53 3m51 n VAL 45 Ca 0.06 2.00 -0.07 0.00 -0.01 0.00 0.00 64.34 66.33 3m51 n VAL 45 Cb 0.52 -2.56 -0.04 0.00 -0.91 0.00 0.00 33.84 30.85 3m51 n VAL 45 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3m51 h GLU 46 N 0.00 -0.25 -0.56 5.55 4.81 -1.98 0.11 114.58 122.27 3m51 h GLU 46 Ca 0.22 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.57 3m51 h GLU 46 Cb 0.43 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 3m51 h GLU 46 CO -0.81 -0.17 0.03 0.93 -0.73 0.00 0.00 179.01 178.26 3m51 h GLU 47 N -0.26 0.15 -0.43 1.92 5.08 -1.60 0.14 114.58 119.58 3m51 h GLU 47 Ca 0.01 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3m51 h GLU 47 Cb 0.29 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3m51 h GLU 47 CO -0.18 0.10 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.46 3m51 h ARG 48 N 0.15 -0.27 0.00 2.33 2.43 -0.17 0.20 114.38 119.04 3m51 h ARG 48 Ca 0.29 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3m51 h ARG 48 Cb 0.44 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3m51 h ARG 48 CO -0.45 -0.18 0.00 0.09 -1.51 0.00 0.00 179.97 177.92 3m51 n ASN 49 N -5.42 0.08 -0.05 -3.80 3.02 0.34 -2.22 115.26 107.21 3m51 n ASN 49 Ca 0.01 0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 54.86 3m51 n ASN 49 Cb 0.35 -0.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.85 3m51 n ASN 49 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3m51 h LEU 50 N 0.00 0.18 -0.75 3.41 3.38 0.91 -3.11 115.31 119.33 3m51 h LEU 50 Ca 0.00 -0.74 0.12 0.00 0.09 0.00 0.00 57.88 57.36 3m51 h LEU 50 Cb 0.32 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 3m51 h LEU 50 CO 0.00 1.53 0.34 0.25 0.09 0.00 0.00 178.44 180.65 3m51 h LEU 51 N -0.63 0.38 0.36 1.67 5.85 -0.47 -0.12 115.31 122.36 3m51 h LEU 51 Ca -0.31 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3m51 h LEU 51 Cb 1.52 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3m51 h LEU 51 CO -0.06 0.18 -0.17 -1.28 -0.34 0.00 0.00 178.44 176.77 3m51 h SER 52 N 0.52 -0.41 -0.99 1.25 0.87 -1.60 -1.64 113.55 111.55 3m51 h SER 52 Ca 0.40 0.01 0.32 0.00 -1.23 0.00 0.00 61.79 61.29 3m51 h SER 52 Cb 0.54 0.11 -0.15 0.00 -0.44 0.00 0.00 62.40 62.45 3m51 h SER 52 CO -0.35 -0.29 0.54 0.58 -0.53 0.00 0.00 176.83 176.78 3m51 h VAL 53 N -0.49 0.29 0.63 2.23 2.07 -1.44 2.09 116.25 121.63 3m51 h VAL 53 Ca -0.05 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3m51 h VAL 53 Cb 0.37 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3m51 h VAL 53 CO 0.08 0.05 -0.45 0.00 0.02 0.00 0.00 177.57 177.28 3m51 h ALA 54 N 1.85 -1.10 -0.52 1.67 0.00 -0.89 -0.96 119.26 119.32 3m51 h ALA 54 Ca 0.72 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.35 3m51 h ALA 54 Cb 1.65 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 3m51 h ALA 54 CO -0.62 -1.14 -0.00 1.88 0.00 0.00 0.00 179.25 179.37 3m51 h TYR 55 N -1.04 0.94 -0.40 0.00 0.05 0.56 -1.61 116.97 115.47 3m51 h TYR 55 Ca -0.08 -0.14 0.08 0.00 0.05 0.00 0.00 58.73 58.64 3m51 h TYR 55 Cb 0.86 -0.25 -0.08 0.00 1.01 0.00 0.00 36.73 38.27 3m51 h TYR 55 CO -0.15 0.86 -0.12 -0.22 -1.05 0.00 0.00 178.16 177.48 3m51 h LYS 56 N 0.81 -0.03 -0.02 4.88 3.64 0.34 -0.54 116.57 125.65 3m51 h LYS 56 Ca 0.15 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3m51 h LYS 56 Cb 0.49 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3m51 h LYS 56 CO 0.02 -0.02 -0.16 -0.91 -2.27 0.00 0.00 179.45 176.11 3m51 h ASN 57 N -0.03 0.18 0.07 4.20 2.35 -1.00 0.20 115.58 121.54 3m51 h ASN 57 Ca 0.20 -0.70 0.02 0.00 -0.55 0.00 0.00 56.30 55.26 3m51 h ASN 57 Cb 0.33 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3m51 h ASN 57 CO -0.43 0.85 -0.47 0.58 -1.65 0.00 0.00 177.43 176.31 3m51 h VAL 58 N -0.49 0.08 0.15 2.81 2.07 -1.21 -0.13 116.25 119.53 3m51 h VAL 58 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3m51 h VAL 58 Cb 0.86 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3m51 h VAL 58 CO 0.03 0.00 -0.17 -0.29 0.02 0.00 0.00 177.57 177.16 3m51 h ILE 59 N -0.67 0.61 -0.84 4.57 6.09 -1.19 -3.01 117.51 123.08 3m51 h ILE 59 Ca 0.02 0.00 0.21 0.00 -1.37 0.00 0.00 64.86 63.72 3m51 h ILE 59 Cb 0.71 0.61 -0.14 0.00 0.47 0.00 0.00 36.82 38.47 3m51 h ILE 59 CO -0.30 0.00 0.11 1.23 -3.07 0.00 0.00 178.15 176.12 3m51 h GLY 60 N -0.37 1.11 1.10 8.18 0.00 -0.12 0.23 103.07 113.19 3m51 h GLY 60 Ca 0.01 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.49 3m51 h GLY 60 CO -0.06 -0.35 0.38 0.00 0.00 0.00 0.00 176.54 176.51 3m51 h ALA 61 N 1.77 2.04 0.07 3.60 0.00 -0.89 -2.36 119.26 123.49 3m51 h ALA 61 Ca 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 3m51 h ALA 61 Cb 0.94 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3m51 h ALA 61 CO -0.69 -0.16 -0.03 0.00 0.00 0.00 0.00 179.25 178.36 3m51 h ARG 62 N 0.37 -0.09 -0.80 0.00 2.47 -0.61 -2.04 114.38 113.67 3m51 h ARG 62 Ca 0.26 0.01 0.19 0.00 -1.26 0.00 0.00 59.98 59.17 3m51 h ARG 62 Cb 0.53 0.02 -0.12 0.00 -1.65 0.00 0.00 29.97 28.75 3m51 h ARG 62 CO -0.07 0.48 0.19 0.00 0.56 0.00 0.00 179.97 181.14 3m51 h ARG 63 N -0.85 0.24 0.88 0.04 3.08 -1.26 1.56 114.38 118.07 3m51 h ARG 63 Ca -0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3m51 h ARG 63 Cb 0.62 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.62 3m51 h ARG 63 CO 0.02 0.16 -0.42 0.00 -1.07 0.00 0.00 179.97 178.65 3m51 h ALA 64 N 1.69 -1.18 -0.83 0.04 0.00 -1.46 0.74 119.26 118.26 3m51 h ALA 64 Ca 0.47 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.32 3m51 h ALA 64 Cb 0.86 0.46 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 3m51 h ALA 64 CO -0.58 -1.12 0.26 0.77 0.00 0.00 0.00 179.25 178.58 3m51 h SER 65 N -1.26 0.11 0.18 0.00 0.02 -0.59 -2.40 113.55 109.61 3m51 h SER 65 Ca -0.12 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3m51 h SER 65 Cb 0.91 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 3m51 h SER 65 CO 0.20 -0.06 -0.21 -0.25 -1.14 0.00 0.00 176.83 175.37 3m51 h TRP 66 N 0.30 -0.59 0.06 3.45 7.01 0.30 -2.30 115.95 124.17 3m51 h TRP 66 Ca 0.50 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.52 3m51 h TRP 66 Cb 0.92 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 28.18 3m51 h TRP 66 CO -0.23 -0.27 -0.41 0.00 -2.79 0.00 0.00 178.44 174.74 3m51 h ARG 67 N -0.40 -0.53 -0.77 2.65 3.08 0.95 0.11 114.38 119.46 3m51 h ARG 67 Ca -0.02 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.13 3m51 h ARG 67 Cb 0.36 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.43 3m51 h ARG 67 CO -0.04 -0.36 -0.45 0.82 -1.07 0.00 0.00 179.97 178.87 3m51 h ILE 68 N -0.55 0.00 0.00 2.04 2.04 -1.56 1.20 117.51 120.68 3m51 h ILE 68 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3m51 h ILE 68 Cb 0.57 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3m51 h ILE 68 CO -0.24 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.53 3m51 n ILE 69 N -4.73 0.00 -0.32 -0.67 2.08 -0.73 0.63 119.36 115.61 3m51 n ILE 69 Ca 0.02 1.41 0.19 0.00 0.56 0.00 0.00 62.75 64.93 3m51 n ILE 69 Cb 0.20 -1.96 0.37 0.00 -0.75 0.00 0.00 39.64 37.50 3m51 n ILE 69 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3m51 h SER 70 N 0.00 -0.06 -0.68 4.38 0.02 0.29 1.02 113.55 118.52 3m51 h SER 70 Ca 0.00 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3m51 h SER 70 Cb 0.00 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3m51 h SER 70 CO 0.00 -0.29 0.42 -1.28 -1.14 0.00 0.00 176.83 174.54 3m51 h SER 71 N 0.10 0.81 0.26 3.07 0.87 0.55 -0.65 113.55 118.56 3m51 h SER 71 Ca 0.65 -0.04 -0.26 0.00 -1.23 0.00 0.00 61.79 60.91 3m51 h SER 71 Cb 1.47 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.24 3m51 h SER 71 CO -0.78 0.62 -1.09 0.40 -0.53 0.00 0.00 176.83 175.45 3m51 h ILE 72 N 0.94 1.36 -0.08 2.23 2.04 0.66 -3.00 117.51 121.66 3m51 h ILE 72 Ca 0.25 -2.50 0.03 0.00 1.00 0.00 0.00 64.86 63.63 3m51 h ILE 72 Cb -0.06 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 3m51 h ILE 72 CO -0.05 0.75 -0.09 -0.08 0.00 0.00 0.00 178.15 178.68 3m51 h GLU 73 N 0.25 -0.12 -0.14 2.37 4.81 -0.03 -2.77 114.58 118.95 3m51 h GLU 73 Ca -0.13 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3m51 h GLU 73 Cb 1.75 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.10 3m51 h GLU 73 CO 0.20 -0.08 -0.25 0.37 -0.73 0.00 0.00 179.01 178.52 3m51 h GLN 74 N -0.12 -0.30 -0.67 1.92 4.15 -1.19 -2.86 115.11 116.04 3m51 h GLN 74 Ca 0.06 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.64 3m51 h GLN 74 Cb 0.22 0.07 -0.13 0.00 0.21 0.00 0.00 27.48 27.85 3m51 h GLN 74 CO -0.15 -0.20 -0.15 0.87 -1.93 0.00 0.00 178.83 177.27 3m51 h LYS 75 N -0.31 0.01 -0.26 1.69 1.57 -1.34 -2.56 116.57 115.36 3m51 h LYS 75 Ca 0.10 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 3m51 h LYS 75 Cb 0.47 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.70 3m51 h LYS 75 CO -0.32 0.01 -0.42 1.49 -0.57 0.00 0.00 179.45 179.63 3m51 h GLU 76 N 0.01 -0.40 -5.05 3.15 4.57 -1.29 -3.52 114.58 112.05 3m51 h GLU 76 Ca 0.33 0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.41 3m51 h GLU 76 Cb 0.50 0.09 0.03 0.00 -0.16 0.00 0.00 28.75 29.22 3m51 h GLU 76 CO -0.68 -0.26 0.41 0.39 -1.18 0.00 0.00 179.01 177.69 3m51 n GLU 77 N -5.42 0.06 0.00 1.92 1.02 -0.97 -5.09 120.64 112.16 3m51 n GLU 77 Ca -0.02 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 3m51 n GLU 77 Cb 0.36 -3.26 0.00 0.00 -0.02 0.00 0.00 31.44 28.51 3m51 n GLU 77 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3m51 n HIS 84 N 15.70 0.00 -0.55 -0.32 -0.00 -1.26 -5.14 115.22 123.65 3m51 n HIS 84 Ca 0.37 0.00 0.45 0.00 -0.00 0.00 0.00 57.72 58.54 3m51 n HIS 84 Cb 0.46 0.00 0.73 0.00 -0.00 0.00 0.00 29.99 31.18 3m51 n HIS 84 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3m51 h VAL 85 N 0.00 0.01 -0.20 1.59 2.07 -1.98 0.16 116.25 117.89 3m51 h VAL 85 Ca 0.00 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3m51 h VAL 85 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 3m51 h VAL 85 CO 0.00 0.00 -0.49 -0.55 0.02 0.00 0.00 177.57 176.55 3m51 h ASN 86 N 0.00 -1.59 0.12 0.57 -1.07 -2.00 -1.09 115.58 110.54 3m51 h ASN 86 Ca 0.90 0.19 0.02 0.00 0.07 0.00 0.00 56.30 57.49 3m51 h ASN 86 Cb 3.16 0.63 -0.04 0.00 -2.07 0.00 0.00 38.32 39.99 3m51 h ASN 86 CO -0.32 -0.41 -0.36 0.28 0.07 0.00 0.00 177.43 176.69 3m51 h SER 87 N -0.47 -1.06 -0.76 6.14 0.02 -1.13 -1.97 113.55 114.33 3m51 h SER 87 Ca 0.04 0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3m51 h SER 87 Cb 0.59 0.40 -0.10 0.00 0.14 0.00 0.00 62.40 63.42 3m51 h SER 87 CO -0.44 -0.45 -0.57 0.40 -1.14 0.00 0.00 176.83 174.63 3m51 h ILE 88 N -0.60 0.00 -0.71 3.27 2.04 -1.44 0.26 117.51 120.33 3m51 h ILE 88 Ca 0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.04 3m51 h ILE 88 Cb 0.62 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.59 3m51 h ILE 88 CO -0.21 0.00 0.10 -0.09 0.00 0.00 0.00 178.15 177.95 3m51 h ARG 89 N -0.16 0.19 -0.53 2.37 2.43 -0.91 0.31 114.38 118.08 3m51 h ARG 89 Ca 0.12 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.38 3m51 h ARG 89 Cb 0.48 -0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 29.88 3m51 h ARG 89 CO -0.80 0.13 -0.34 0.93 -1.51 0.00 0.00 179.97 178.38 3m51 h GLU 90 N 0.20 -0.19 0.46 0.20 4.39 0.22 0.67 114.58 120.53 3m51 h GLU 90 Ca 0.39 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 3m51 h GLU 90 Cb 0.67 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3m51 h GLU 90 CO -0.55 -0.13 -0.42 -0.92 -1.16 0.00 0.00 179.01 175.84 3m51 h TYR 91 N -0.20 -1.14 -1.01 4.33 3.20 0.91 -1.22 116.97 121.85 3m51 h TYR 91 Ca 0.21 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.31 3m51 h TYR 91 Cb 0.55 0.44 -0.11 0.00 1.54 0.00 0.00 36.73 39.15 3m51 h TYR 91 CO -0.61 -0.58 0.61 -0.09 -1.64 0.00 0.00 178.16 175.85 3m51 h ARG 92 N -0.88 0.61 0.01 1.82 2.43 -0.20 0.43 114.38 118.59 3m51 h ARG 92 Ca -0.05 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3m51 h ARG 92 Cb 0.77 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 3m51 h ARG 92 CO -0.04 0.40 -0.47 0.66 -1.51 0.00 0.00 179.97 179.01 3m51 h SER 93 N 0.63 -1.45 -0.29 -3.80 4.64 0.13 0.35 113.55 113.75 3m51 h SER 93 Ca 0.60 0.17 0.07 0.00 -0.47 0.00 0.00 61.79 62.16 3m51 h SER 93 Cb 1.12 0.56 -0.08 0.00 -0.31 0.00 0.00 62.40 63.69 3m51 h SER 93 CO -0.39 -0.50 -0.24 0.50 -0.87 0.00 0.00 176.83 175.33 3m51 h LYS 94 N -0.63 -0.21 0.13 4.77 3.64 0.87 -1.42 116.57 123.71 3m51 h LYS 94 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3m51 h LYS 94 Cb 0.69 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3m51 h LYS 94 CO -0.33 -0.14 -0.34 0.82 -2.27 0.00 0.00 179.45 177.19 3m51 h ILE 95 N -0.22 0.00 -0.72 2.00 2.04 -0.32 -2.73 117.51 117.55 3m51 h ILE 95 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.14 3m51 h ILE 95 Cb 0.46 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.41 3m51 h ILE 95 CO -0.42 0.00 -0.29 -0.33 0.00 0.00 0.00 178.15 177.11 3m51 h GLU 96 N -0.52 -0.07 -0.92 2.37 5.08 -0.08 0.48 114.58 120.92 3m51 h GLU 96 Ca -0.01 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.61 3m51 h GLU 96 Cb 0.50 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 3m51 h GLU 96 CO -0.15 -0.05 0.04 -1.71 -1.00 0.00 0.00 179.01 176.13 3m51 n ASN 97 N -5.47 -0.09 -0.04 1.42 5.15 -0.56 0.10 115.26 115.78 3m51 n ASN 97 Ca 0.08 1.56 -0.10 0.00 -0.60 0.00 0.00 54.58 55.51 3m51 n ASN 97 Cb 0.38 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 39.02 3m51 n ASN 97 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3m51 h GLU 98 N 0.00 0.22 -0.12 1.20 5.08 0.12 -3.09 114.58 117.98 3m51 h GLU 98 Ca 0.56 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.93 3m51 h GLU 98 Cb 1.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3m51 h GLU 98 CO -0.86 0.15 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.00 3m51 h LEU 99 N 0.23 -0.75 -1.62 1.33 3.38 0.95 0.42 115.31 119.25 3m51 h LEU 99 Ca 0.07 0.09 0.50 0.00 0.09 0.00 0.00 57.88 58.64 3m51 h LEU 99 Cb -0.00 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 3m51 h LEU 99 CO -0.03 -0.18 1.07 0.28 0.09 0.00 0.00 178.44 179.67 3m51 h SER 100 N -0.20 0.13 0.02 -0.43 0.02 -1.41 -1.51 113.55 110.16 3m51 h SER 100 Ca 0.02 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3m51 h SER 100 Cb 0.26 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3m51 h SER 100 CO -0.22 -0.15 -0.01 0.11 -1.14 0.00 0.00 176.83 175.42 3m51 h LYS 101 N 0.02 -0.02 -0.48 3.45 1.79 -0.84 0.29 116.57 120.77 3m51 h LYS 101 Ca 0.89 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.45 3m51 h LYS 101 Cb 3.13 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 33.68 3m51 h LYS 101 CO -0.29 -0.02 -0.32 0.82 -1.08 0.00 0.00 179.45 178.56 3m51 h ILE 102 N -0.04 0.21 -0.06 1.86 5.03 -0.98 0.70 117.51 124.23 3m51 h ILE 102 Ca -0.00 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 3m51 h ILE 102 Cb 0.02 0.21 -0.04 0.00 -3.03 0.00 0.00 36.82 33.98 3m51 h ILE 102 CO 0.00 0.00 -0.40 0.00 -0.68 0.00 0.00 178.15 177.07 3m51 h ASP 104 N -0.46 0.38 0.69 0.00 3.32 0.91 -1.32 116.42 119.93 3m51 h ASP 104 Ca 0.02 0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3m51 h ASP 104 Cb 0.51 0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.21 3m51 h ASP 104 CO -0.30 -0.04 -0.33 1.23 -1.72 0.00 0.00 179.24 178.08 3m51 h GLY 105 N 0.38 -0.96 1.09 2.75 0.00 0.22 -3.05 103.07 103.50 3m51 h GLY 105 Ca 0.61 0.36 0.12 0.00 0.00 0.00 0.00 47.33 48.42 3m51 h GLY 105 CO -0.56 -0.35 0.34 1.19 0.00 0.00 0.00 176.54 177.16 3m51 h ILE 106 N -0.97 0.81 0.49 2.60 6.09 -0.38 -3.01 117.51 123.15 3m51 h ILE 106 Ca -0.09 -0.04 -0.02 0.00 -1.37 0.00 0.00 64.86 63.33 3m51 h ILE 106 Cb 0.71 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.68 3m51 h ILE 106 CO 0.15 0.02 -0.24 -0.07 -3.07 0.00 0.00 178.15 174.95 3m51 h LEU 107 N 0.12 -0.56 -0.28 2.19 3.38 -1.20 -1.44 115.31 117.52 3m51 h LEU 107 Ca 0.23 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.19 3m51 h LEU 107 Cb 0.76 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 3m51 h LEU 107 CO -0.03 -0.20 -0.22 0.11 0.09 0.00 0.00 178.44 178.19 3m51 h LYS 108 N -0.98 -0.20 -1.06 1.13 6.56 -1.43 0.43 116.57 121.02 3m51 h LYS 108 Ca -0.07 0.01 0.28 0.00 -1.06 0.00 0.00 60.65 59.82 3m51 h LYS 108 Cb 0.60 0.05 -0.08 0.00 -0.57 0.00 0.00 32.23 32.23 3m51 h LYS 108 CO 0.11 -0.13 0.71 1.25 -2.06 0.00 0.00 179.45 179.33 3m51 h LEU 109 N -0.21 0.29 0.66 2.94 6.46 -1.50 0.86 115.31 124.81 3m51 h LEU 109 Ca 0.15 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 3m51 h LEU 109 Cb 0.44 0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3m51 h LEU 109 CO -0.40 0.06 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.09 3m51 h LEU 110 N 0.26 -0.75 -0.23 2.25 4.07 0.92 -2.34 115.31 119.49 3m51 h LEU 110 Ca 0.57 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.54 3m51 h LEU 110 Cb 1.71 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 43.62 3m51 h LEU 110 CO -0.19 -0.39 0.10 0.44 -1.08 0.00 0.00 178.44 177.31 3m51 h ASP 111 N -1.15 0.13 0.00 -0.43 3.32 0.79 -1.44 116.42 117.64 3m51 h ASP 111 Ca -0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3m51 h ASP 111 Cb 0.71 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3m51 h ASP 111 CO 0.15 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 3m51 n ALA 112 N -2.22 -0.12 -0.08 3.45 0.00 0.28 -4.33 120.51 117.48 3m51 n ALA 112 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3m51 n ALA 112 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 3m51 n ALA 112 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3m51 h LYS 113 N 0.00 0.00 0.00 0.00 1.79 -1.58 -3.42 116.57 113.37 3m51 h LYS 113 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3m51 h LYS 113 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3m51 h LYS 113 CO 0.00 0.48 0.00 1.28 -1.08 0.00 0.00 179.45 180.13 3m51 n LEU 114 N -4.57 0.02 -0.07 2.94 4.77 -0.94 -3.62 117.00 115.53 3m51 n LEU 114 Ca -0.16 0.47 -0.02 0.00 -0.03 0.00 0.00 56.01 56.28 3m51 n LEU 114 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3m51 n LEU 114 CO 0.15 0.00 0.49 -0.38 -1.33 0.00 0.00 177.39 176.32 3m51 n ILE 115 N -0.48 -0.11 -0.21 -0.08 5.41 -0.55 -1.22 119.36 122.12 3m51 n ILE 115 Ca 0.00 1.63 0.20 0.00 1.00 0.00 0.00 62.75 65.58 3m51 n ILE 115 Cb 0.00 -2.13 0.31 0.00 -0.71 0.00 0.00 39.64 37.11 3m51 n ILE 115 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3m51 n PRO 116 N -3.36 0.01 -0.08 0.38 -0.02 -1.26 0.12 135.00 130.79 3m51 n PRO 116 Ca 0.00 0.58 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 3m51 n PRO 116 Cb 0.04 -1.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 3m51 n PRO 116 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3m51 n SER 117 N -2.59 0.47 -1.91 2.55 7.64 -0.36 -5.01 113.62 114.42 3m51 n SER 117 Ca 0.17 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.80 3m51 n SER 117 Cb 0.94 1.05 -0.03 0.00 -1.01 0.00 0.00 64.21 65.16 3m51 n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m51 n ALA 118 N -2.63 -1.82 -0.39 -0.43 0.00 0.32 -4.86 120.51 110.71 3m51 n ALA 118 Ca -0.27 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3m51 n ALA 118 Cb 1.04 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3m51 n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m51 n ALA 119 N 0.65 1.61 -3.55 0.00 0.00 -1.26 -4.93 120.51 113.03 3m51 n ALA 119 Ca 0.09 -0.80 -0.08 0.00 0.00 0.00 0.00 53.44 52.64 3m51 n ALA 119 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 3m51 n ALA 119 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3m51 s SER 120 N -0.61 -0.24 0.01 0.00 1.04 -1.26 -5.06 113.70 107.58 3m51 s SER 120 Ca 0.00 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 3m51 s SER 120 Cb 0.00 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 3m51 s SER 120 CO 0.00 -1.21 1.04 1.23 0.98 0.00 0.00 173.24 175.28 3m51 h GLY 121 N 2.10 -1.19 -0.21 7.32 0.00 -1.97 -0.33 103.07 108.79 3m51 h GLY 121 Ca -0.24 0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.63 3m51 h GLY 121 CO 0.30 -0.44 -0.15 -0.55 0.00 0.00 0.00 176.54 175.70 3m51 h ASP 122 N -0.05 -0.52 -0.29 0.19 5.19 -1.95 1.95 116.42 120.93 3m51 h ASP 122 Ca -0.00 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.51 3m51 h ASP 122 Cb 0.05 0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 3m51 h ASP 122 CO -0.02 -0.07 -0.17 -1.54 -3.12 0.00 0.00 179.24 174.32 3m51 n SER 123 N -3.51 -0.31 0.34 6.45 3.41 -1.20 0.59 113.62 119.39 3m51 n SER 123 Ca 0.00 1.11 -0.19 0.00 -0.26 0.00 0.00 58.87 59.53 3m51 n SER 123 Cb 0.07 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 3m51 n SER 123 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3m51 h LYS 124 N 0.00 -1.03 -0.87 4.33 1.57 -0.13 0.42 116.57 120.87 3m51 h LYS 124 Ca 0.05 0.07 0.17 0.00 -1.87 0.00 0.00 60.65 59.07 3m51 h LYS 124 Cb 0.12 0.23 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 3m51 h LYS 124 CO -0.27 -0.69 0.43 0.28 -0.57 0.00 0.00 179.45 178.63 3m51 h VAL 125 N -1.07 0.65 0.15 0.50 2.07 0.39 0.94 116.25 119.88 3m51 h VAL 125 Ca -0.08 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3m51 h VAL 125 Cb 0.90 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3m51 h VAL 125 CO 0.00 0.10 -0.13 0.15 0.02 0.00 0.00 177.57 177.71 3m51 h PHE 126 N 0.56 -0.37 0.26 1.57 3.57 1.75 -0.98 116.94 123.30 3m51 h PHE 126 Ca 0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 3m51 h PHE 126 Cb 0.79 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 3m51 h PHE 126 CO -0.10 -0.18 -0.24 1.88 -2.23 0.00 0.00 178.31 177.44 3m51 h TYR 127 N -0.28 -0.65 -0.50 0.41 0.05 0.21 -0.30 116.97 115.90 3m51 h TYR 127 Ca -0.02 0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.86 3m51 h TYR 127 Cb 0.24 0.25 -0.09 0.00 1.01 0.00 0.00 36.73 38.13 3m51 h TYR 127 CO -0.07 -0.32 -0.13 1.28 -1.05 0.00 0.00 178.16 177.87 3m51 n LEU 128 N -3.77 -0.19 0.08 3.88 7.99 0.29 0.30 117.00 125.58 3m51 n LEU 128 Ca -0.06 0.87 -0.12 0.00 -0.01 0.00 0.00 56.01 56.69 3m51 n LEU 128 Cb 0.22 -0.26 -0.05 0.00 -0.11 0.00 0.00 43.42 43.22 3m51 n LEU 128 CO 0.13 -0.83 0.71 0.50 -1.51 0.00 0.00 177.39 176.39 3m51 h LYS 129 N 0.00 -0.37 -0.22 3.23 3.64 0.06 -1.49 116.57 121.42 3m51 h LYS 129 Ca 0.24 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.70 3m51 h LYS 129 Cb 0.36 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 3m51 h LYS 129 CO -0.52 -0.25 -0.28 0.52 -2.27 0.00 0.00 179.45 176.65 3m51 h MET 130 N -0.38 -0.29 -0.74 1.90 2.86 0.63 -1.19 114.93 117.72 3m51 h MET 130 Ca 0.05 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.90 3m51 h MET 130 Cb 0.44 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 3m51 h MET 130 CO -0.18 -0.20 0.51 -0.22 1.06 0.00 0.00 176.91 177.89 3m51 h LYS 131 N -0.30 0.16 0.09 1.72 3.64 -0.17 0.19 116.57 121.88 3m51 h LYS 131 Ca 0.13 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.23 3m51 h LYS 131 Cb 0.50 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3m51 h LYS 131 CO -0.40 0.10 -1.15 0.78 -2.27 0.00 0.00 179.45 176.52 3m51 h GLY 132 N 0.16 0.52 0.87 5.01 0.00 -0.41 -3.08 103.07 106.14 3m51 h GLY 132 Ca 0.36 -1.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3m51 h GLY 132 CO -0.06 0.95 -0.02 -0.55 0.00 0.00 0.00 176.54 176.86 3m51 h ASP 133 N 0.21 -0.04 -0.24 0.19 3.32 0.51 0.46 116.42 120.83 3m51 h ASP 133 Ca -0.14 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.59 3m51 h ASP 133 Cb 1.82 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.39 3m51 h ASP 133 CO 0.21 0.10 -0.58 1.88 -1.72 0.00 0.00 179.24 179.12 3m51 h TYR 134 N -0.18 1.06 -0.84 4.55 0.05 -1.55 0.64 116.97 120.69 3m51 h TYR 134 Ca -0.01 -0.40 0.15 0.00 0.05 0.00 0.00 58.73 58.53 3m51 h TYR 134 Cb 0.17 -0.19 -0.10 0.00 1.01 0.00 0.00 36.73 37.62 3m51 h TYR 134 CO -0.03 1.23 0.42 0.45 -1.05 0.00 0.00 178.16 179.18 3m51 h HIS 135 N 0.59 0.73 -0.15 4.88 3.86 -1.49 0.42 115.15 123.99 3m51 h HIS 135 Ca -0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3m51 h HIS 135 Cb 1.20 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 3m51 h HIS 135 CO 0.08 0.15 0.07 -0.09 0.86 0.00 0.00 177.93 179.00 3m51 h ARG 136 N 0.59 0.23 -0.72 2.45 2.43 0.11 -1.83 114.38 117.63 3m51 h ARG 136 Ca 0.47 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.67 3m51 h ARG 136 Cb 0.68 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3m51 h ARG 136 CO -0.38 0.30 0.47 1.88 -1.51 0.00 0.00 179.97 180.73 3m51 h TYR 137 N 0.11 0.73 -0.01 2.20 0.99 0.16 0.48 116.97 121.63 3m51 h TYR 137 Ca 0.05 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.76 3m51 h TYR 137 Cb 0.15 -0.24 -0.01 0.00 1.00 0.00 0.00 36.73 37.63 3m51 h TYR 137 CO -0.02 0.38 -0.17 -0.07 -0.00 0.00 0.00 178.16 178.28 3m51 h LEU 138 N 0.72 0.02 -0.74 3.88 3.38 0.22 -1.91 115.31 120.88 3m51 h LEU 138 Ca 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3m51 h LEU 138 Cb 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3m51 h LEU 138 CO -0.11 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3m51 h ALA 139 N 1.82 1.00 0.00 1.53 0.00 0.77 -2.83 119.26 121.54 3m51 h ALA 139 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3m51 h ALA 139 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3m51 h ALA 139 CO 0.02 0.00 -0.18 0.93 0.00 0.00 0.00 179.25 180.02 3m51 h GLU 140 N 0.00 0.00 0.00 0.00 5.08 -0.71 -3.36 114.58 115.59 3m51 h GLU 140 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m51 h GLU 140 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3m51 h GLU 140 CO 0.00 0.18 -0.43 1.97 -1.00 0.00 0.00 179.01 179.74 3m51 n PHE 141 N -4.00 0.00 -1.41 4.33 1.16 -1.23 -5.07 117.46 111.24 3m51 n PHE 141 Ca -0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.21 3m51 n PHE 141 Cb 0.27 0.00 0.10 0.00 -1.61 0.00 0.00 39.48 38.23 3m51 n PHE 141 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3m51 s LYS 142 N -1.08 2.08 0.00 3.97 -0.14 -1.07 -4.98 119.74 118.52 3m51 s LYS 142 Ca 0.00 1.85 0.00 0.00 -1.36 0.00 0.00 55.97 56.46 3m51 s LYS 142 Cb 0.00 -1.82 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 3m51 s LYS 142 CO 0.00 -1.91 0.00 0.25 -0.76 0.00 0.00 175.35 172.93 3m51 n THR 143 N -2.68 0.00 0.00 2.17 -2.24 -1.26 -4.52 114.28 105.75 3m51 n THR 143 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3m51 n THR 143 Cb 0.50 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3m51 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m51 n GLY 144 N 2.53 1.38 0.30 3.38 0.00 -1.26 -4.68 105.19 106.84 3m51 n GLY 144 Ca 0.00 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 45.00 3m51 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m51 h ALA 145 N -1.06 1.26 0.26 4.61 0.00 -2.00 -1.99 119.26 120.34 3m51 h ALA 145 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m51 h ALA 145 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3m51 h ALA 145 CO 0.00 -0.23 -0.39 0.93 0.00 0.00 0.00 179.25 179.56 3m51 h GLU 146 N 0.47 -0.66 -0.85 0.00 5.08 -1.97 -1.11 114.58 115.55 3m51 h GLU 146 Ca 0.48 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 59.03 3m51 h GLU 146 Cb 0.80 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.05 3m51 h GLU 146 CO -0.44 -0.44 -0.30 -2.13 -1.00 0.00 0.00 179.01 174.70 3m51 n ARG 147 N -4.74 -0.17 0.33 2.33 0.63 -0.77 -0.95 116.66 113.32 3m51 n ARG 147 Ca -0.08 1.32 -0.13 0.00 -0.92 0.00 0.00 57.85 58.04 3m51 n ARG 147 Cb 0.33 -1.96 -0.06 0.00 0.45 0.00 0.00 32.46 31.23 3m51 n ARG 147 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3m51 h LYS 148 N 0.00 -0.80 -0.58 -0.14 1.57 -1.18 -1.70 116.57 113.74 3m51 h LYS 148 Ca 0.32 0.05 0.17 0.00 -1.87 0.00 0.00 60.65 59.33 3m51 h LYS 148 Cb 0.54 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3m51 h LYS 148 CO -0.85 -0.54 0.75 0.93 -0.57 0.00 0.00 179.45 179.17 3m51 h GLU 149 N -0.87 0.00 0.27 3.15 5.08 -0.14 0.16 114.58 122.23 3m51 h GLU 149 Ca -0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3m51 h GLU 149 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3m51 h GLU 149 CO 0.14 0.00 -0.13 0.00 -1.00 0.00 0.00 179.01 178.02 3m51 h ALA 150 N 1.04 -0.42 -0.85 3.43 0.00 -0.63 -0.53 119.26 121.31 3m51 h ALA 150 Ca 0.27 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.27 3m51 h ALA 150 Cb 1.77 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 19.54 3m51 h ALA 150 CO -0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 179.25 178.62 3m51 h ALA 151 N -1.27 0.49 0.53 0.00 0.00 0.16 1.85 119.26 121.04 3m51 h ALA 151 Ca -0.04 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3m51 h ALA 151 Cb 0.28 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3m51 h ALA 151 CO 0.06 -0.43 -0.51 1.49 0.00 0.00 0.00 179.25 179.86 3m51 h GLU 152 N -0.01 -1.00 -0.96 0.00 4.81 -1.26 -0.11 114.58 116.04 3m51 h GLU 152 Ca 0.39 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.85 3m51 h GLU 152 Cb 0.62 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 30.13 3m51 h GLU 152 CO -0.87 -0.67 0.57 0.77 -0.73 0.00 0.00 179.01 178.08 3m51 h SER 153 N -1.04 0.76 0.09 1.04 0.02 0.99 0.38 113.55 115.79 3m51 h SER 153 Ca -0.07 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3m51 h SER 153 Cb 0.90 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 3m51 h SER 153 CO -0.05 0.32 -0.22 0.74 -1.14 0.00 0.00 176.83 176.48 3m51 h THR 154 N 0.79 0.00 -0.15 -2.27 2.02 0.31 -1.44 112.91 112.18 3m51 h THR 154 Ca 0.53 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.74 3m51 h THR 154 Cb 0.72 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 3m51 h THR 154 CO -0.34 0.00 -0.54 0.25 0.37 0.00 0.00 175.52 175.25 3m51 h LEU 155 N -0.34 -1.73 -1.61 2.58 5.85 0.27 -0.32 115.31 120.01 3m51 h LEU 155 Ca -0.01 0.21 0.19 0.00 0.84 0.00 0.00 57.88 59.11 3m51 h LEU 155 Cb 0.33 0.68 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3m51 h LEU 155 CO -0.10 -0.48 0.56 0.71 -0.34 0.00 0.00 178.44 178.79 3m51 h THR 156 N -0.58 0.70 0.54 1.05 1.35 -1.00 0.31 112.91 115.28 3m51 h THR 156 Ca 0.03 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.75 3m51 h THR 156 Cb 0.68 0.33 0.01 0.00 -1.73 0.00 0.00 68.15 67.43 3m51 h THR 156 CO -0.44 0.06 -0.26 0.00 -0.25 0.00 0.00 175.52 174.63 3m51 h ALA 157 N 1.62 -0.72 -0.06 6.62 0.00 0.03 -1.27 119.26 125.48 3m51 h ALA 157 Ca 0.42 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3m51 h ALA 157 Cb 1.12 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 3m51 h ALA 157 CO -0.13 -0.68 -0.15 1.88 0.00 0.00 0.00 179.25 180.17 3m51 h TYR 158 N -1.18 -0.38 -0.35 0.00 0.05 -0.83 -1.62 116.97 112.67 3m51 h TYR 158 Ca -0.07 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.79 3m51 h TYR 158 Cb 0.57 0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.43 3m51 h TYR 158 CO 0.00 -0.22 -0.03 -0.22 -1.05 0.00 0.00 178.16 176.65 3m51 h LYS 159 N -0.21 0.06 -0.71 4.88 1.63 -1.04 0.66 116.57 121.84 3m51 h LYS 159 Ca 0.07 -0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.02 3m51 h LYS 159 Cb 0.31 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.88 3m51 h LYS 159 CO -0.19 0.04 0.48 0.00 -3.45 0.00 0.00 179.45 176.33 3m51 h ALA 160 N 1.32 2.25 0.01 5.00 0.00 -0.86 -1.38 119.26 125.59 3m51 h ALA 160 Ca 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3m51 h ALA 160 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m51 h ALA 160 CO -0.31 -0.44 -0.11 0.00 0.00 0.00 0.00 179.25 178.38 3m51 h ALA 161 N 1.66 0.01 -0.96 0.00 0.00 0.33 -3.32 119.26 116.97 3m51 h ALA 161 Ca 0.34 -0.45 0.22 0.00 0.00 0.00 0.00 54.91 55.02 3m51 h ALA 161 Cb 0.93 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 3m51 h ALA 161 CO -0.09 -0.00 0.62 0.37 0.00 0.00 0.00 179.25 180.16 3m51 h GLN 162 N -0.73 0.45 0.00 0.00 4.15 0.12 0.27 115.11 119.37 3m51 h GLN 162 Ca -0.02 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3m51 h GLN 162 Cb 0.94 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 3m51 h GLN 162 CO 0.02 0.30 -0.03 -0.44 -1.93 0.00 0.00 178.83 176.75 3m51 h ASP 163 N 0.46 0.00 0.02 -0.69 5.19 -1.45 -2.33 116.42 117.62 3m51 h ASP 163 Ca 0.52 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.71 3m51 h ASP 163 Cb 1.23 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.71 3m51 h ASP 163 CO -0.24 0.03 -1.24 0.40 -3.12 0.00 0.00 179.24 175.07 3m51 h ILE 164 N 0.00 0.96 0.00 0.35 2.04 -0.65 -3.38 117.51 116.83 3m51 h ILE 164 Ca -0.00 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.64 3m51 h ILE 164 Cb 0.05 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3m51 h ILE 164 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 178.15 178.56 3m51 n ALA 165 N -3.30 -0.34 0.00 1.87 0.00 -0.79 0.16 120.51 118.12 3m51 n ALA 165 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3m51 n ALA 165 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.24 3m51 n ALA 165 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3m51 n THR 166 N -1.91 0.00 0.00 0.00 -1.04 -0.88 -0.49 114.28 109.95 3m51 n THR 166 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3m51 n THR 166 Cb 0.00 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 3m51 n THR 166 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3m51 n THR 167 N -0.45 0.00 0.37 12.58 5.66 -0.86 -4.85 114.28 126.73 3m51 n THR 167 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 3m51 n THR 167 Cb 0.00 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 3m51 n THR 167 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3m51 n GLU 168 N -1.18 1.98 -4.26 1.09 -0.58 0.43 -5.01 120.64 113.11 3m51 n GLU 168 Ca 0.00 -0.60 -0.22 0.00 -0.42 0.00 0.00 57.16 55.93 3m51 n GLU 168 Cb 0.13 -1.04 -0.12 0.00 -0.57 0.00 0.00 31.44 29.83 3m51 n GLU 168 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3m51 s LEU 169 N -1.42 2.32 0.29 -4.62 1.43 0.35 -4.95 118.68 112.08 3m51 s LEU 169 Ca 0.07 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 3m51 s LEU 169 Cb 0.07 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.43 3m51 s LEU 169 CO 0.20 -0.00 1.13 0.00 0.23 0.00 0.00 176.35 177.91 3m51 s ALA 170 N -1.36 3.42 -0.62 4.21 0.00 -1.26 -4.64 121.76 121.51 3m51 s ALA 170 Ca 0.05 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.99 3m51 s ALA 170 Cb -0.09 -3.35 0.11 0.00 0.00 0.00 0.00 23.12 19.79 3m51 s ALA 170 CO 0.04 -0.24 0.93 -0.35 0.00 0.00 0.00 175.76 176.14 3m51 n PRO 171 N 1.15 0.01 -0.00 0.00 -0.04 -1.26 0.88 135.00 135.74 3m51 n PRO 171 Ca -0.01 0.39 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 3m51 n PRO 171 Cb 0.44 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.08 3m51 n PRO 171 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3m51 n THR 172 N -1.46 0.00 -1.65 0.52 5.66 -1.26 -4.11 114.28 111.99 3m51 n THR 172 Ca -0.00 -0.28 -0.47 0.00 -3.05 0.00 0.00 64.05 60.25 3m51 n THR 172 Cb 0.16 0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 69.35 3m51 n THR 172 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3m51 n HIS 173 N -1.84 2.08 -0.22 1.09 -0.00 0.26 -4.73 115.22 111.86 3m51 n HIS 173 Ca -0.01 0.37 -0.12 0.00 -0.00 0.00 0.00 57.72 57.97 3m51 n HIS 173 Cb 0.39 -2.48 -0.09 0.00 -0.00 0.00 0.00 29.99 27.81 3m51 n HIS 173 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3m51 h PRO 174 N 5.39 -0.24 -0.17 1.57 0.11 -1.92 -0.79 132.00 135.96 3m51 h PRO 174 Ca -0.45 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.71 3m51 h PRO 174 Cb 1.28 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.37 3m51 h PRO 174 CO 0.85 -0.16 -0.50 0.82 -0.21 0.00 0.00 178.00 178.80 3m51 h ILE 175 N -0.24 0.05 -1.00 4.15 1.08 -1.95 2.38 117.51 121.98 3m51 h ILE 175 Ca 0.10 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.84 3m51 h ILE 175 Cb 0.50 0.05 -0.19 0.00 -3.07 0.00 0.00 36.82 34.11 3m51 h ILE 175 CO -0.67 0.00 0.03 -1.14 -0.69 0.00 0.00 178.15 175.68 3m51 n ARG 176 N -5.43 -0.08 0.00 2.37 0.63 -0.79 0.03 116.66 113.39 3m51 n ARG 176 Ca -0.05 1.49 -0.12 0.00 -0.92 0.00 0.00 57.85 58.26 3m51 n ARG 176 Cb 0.37 -2.38 -0.09 0.00 0.45 0.00 0.00 32.46 30.81 3m51 n ARG 176 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 3m51 h LEU 177 N 0.00 -0.08 -0.59 6.15 3.38 0.12 -2.92 115.31 121.37 3m51 h LEU 177 Ca 0.61 -0.54 0.11 0.00 0.09 0.00 0.00 57.88 58.15 3m51 h LEU 177 Cb 1.27 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.92 3m51 h LEU 177 CO -0.94 0.56 -0.28 1.23 0.09 0.00 0.00 178.44 179.10 3m51 h GLY 178 N -0.77 0.05 0.26 0.83 0.00 0.60 -0.23 103.07 103.82 3m51 h GLY 178 Ca -0.01 0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.71 3m51 h GLY 178 CO 0.02 -0.22 -0.43 -2.00 0.00 0.00 0.00 176.54 173.90 3m51 h LEU 179 N -0.13 -1.27 -0.58 3.11 5.85 -0.51 -2.70 115.31 119.09 3m51 h LEU 179 Ca 0.25 0.14 0.10 0.00 0.84 0.00 0.00 57.88 59.21 3m51 h LEU 179 Cb 0.53 0.47 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 3m51 h LEU 179 CO -0.66 -0.50 -0.34 0.00 -0.34 0.00 0.00 178.44 176.60 3m51 h ALA 180 N -0.21 -0.06 0.07 1.25 0.00 -0.93 0.13 119.26 119.51 3m51 h ALA 180 Ca 0.02 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3m51 h ALA 180 Cb 0.69 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3m51 h ALA 180 CO -0.25 -0.69 -0.46 1.25 0.00 0.00 0.00 179.25 179.11 3m51 h LEU 181 N -0.17 -1.40 0.48 0.00 5.85 -0.87 0.40 115.31 119.60 3m51 h LEU 181 Ca 0.23 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3m51 h LEU 181 Cb 0.55 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3m51 h LEU 181 CO -0.67 -0.47 -0.24 0.78 -0.34 0.00 0.00 178.44 177.49 3m51 h ASN 182 N -0.63 -0.58 -0.94 1.25 2.35 -1.13 -1.60 115.58 114.29 3m51 h ASN 182 Ca -0.00 0.02 0.28 0.00 -0.55 0.00 0.00 56.30 56.05 3m51 h ASN 182 Cb 0.65 0.16 -0.16 0.00 0.05 0.00 0.00 38.32 39.01 3m51 h ASN 182 CO -0.27 -0.40 0.21 0.15 -1.65 0.00 0.00 177.43 175.47 3m51 h PHE 183 N -0.66 0.29 0.00 1.19 3.04 -0.63 1.31 116.94 121.48 3m51 h PHE 183 Ca -0.06 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3m51 h PHE 183 Cb 0.51 0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.05 3m51 h PHE 183 CO -0.05 -0.34 0.00 0.66 -2.02 0.00 0.00 178.31 176.56 3m51 h SER 184 N 0.10 0.00 1.00 0.41 4.64 -0.20 -1.41 113.55 118.10 3m51 h SER 184 Ca 0.62 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.86 3m51 h SER 184 Cb 1.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3m51 h SER 184 CO -0.77 0.00 -1.04 0.58 -0.87 0.00 0.00 176.83 174.72 3m51 h VAL 185 N 0.00 0.28 0.10 0.95 2.07 0.24 -3.18 116.25 116.72 3m51 h VAL 185 Ca 0.00 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 3m51 h VAL 185 Cb 0.54 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3m51 h VAL 185 CO 0.00 0.16 -0.05 0.15 0.02 0.00 0.00 177.57 177.85 3m51 h PHE 186 N 0.00 -0.13 0.00 1.57 3.57 0.51 -1.40 116.94 121.07 3m51 h PHE 186 Ca -0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3m51 h PHE 186 Cb 1.27 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3m51 h PHE 186 CO 0.00 0.13 0.00 0.66 -2.23 0.00 0.00 178.31 176.87 3m51 n TYR 187 N -5.04 0.00 -0.34 0.41 4.01 -0.96 0.79 117.16 116.03 3m51 n TYR 187 Ca -0.08 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.86 3m51 n TYR 187 Cb 0.17 -0.45 0.44 0.00 -0.31 0.00 0.00 39.34 39.19 3m51 n TYR 187 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3m51 h TYR 188 N 0.00 0.88 0.00 -0.72 -0.00 -1.66 0.22 116.97 115.68 3m51 h TYR 188 Ca 0.00 0.03 -0.31 0.00 -0.00 0.00 0.00 58.73 58.45 3m51 h TYR 188 Cb 0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 36.73 36.42 3m51 h TYR 188 CO 0.12 0.05 -2.16 -1.91 -0.00 0.00 0.00 178.16 174.26 3m51 n GLU 189 N -4.79 0.82 -0.03 1.82 2.13 -0.53 -3.72 120.64 116.35 3m51 n GLU 189 Ca 0.27 0.07 -0.01 0.00 0.66 0.00 0.00 57.16 58.15 3m51 n GLU 189 Cb 0.81 -1.42 -0.00 0.00 0.27 0.00 0.00 31.44 31.10 3m51 n GLU 189 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3m51 h ILE 190 N 0.00 0.00 0.00 6.31 1.08 0.42 -3.37 117.51 121.95 3m51 h ILE 190 Ca -0.46 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3m51 h ILE 190 Cb 1.82 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 3m51 h ILE 190 CO -0.04 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.60 3m51 n LEU 191 N -3.34 0.21 -3.61 1.44 4.77 -0.74 -4.89 117.00 110.84 3m51 n LEU 191 Ca -0.02 0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 56.27 3m51 n LEU 191 Cb 0.08 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.73 3m51 n LEU 191 CO 0.03 -0.30 0.21 -3.20 -1.33 0.00 0.00 177.39 172.80 3m51 n ASN 192 N -1.73 -5.46 -3.72 -1.43 2.85 0.70 -4.97 115.26 101.51 3m51 n ASN 192 Ca 0.04 -0.58 -0.29 0.00 -0.11 0.00 0.00 54.58 53.64 3m51 n ASN 192 Cb 0.22 -4.92 -0.13 0.00 1.24 0.00 0.00 39.78 36.19 3m51 n ASN 192 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3m51 s SER 193 N -3.51 3.60 0.26 1.20 1.04 -1.09 -4.98 113.70 110.23 3m51 s SER 193 Ca 0.49 -2.91 -0.02 0.00 0.48 0.00 0.00 55.95 53.98 3m51 s SER 193 Cb -0.22 -1.10 0.52 0.00 0.10 0.00 0.00 66.02 65.32 3m51 s SER 193 CO 0.74 -0.22 1.72 1.55 0.98 0.00 0.00 173.24 178.01 3m51 h PRO 194 N 6.35 0.40 0.11 4.02 0.13 -1.85 -3.18 132.00 137.99 3m51 h PRO 194 Ca 0.05 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3m51 h PRO 194 Cb 0.89 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3m51 h PRO 194 CO 0.52 0.27 -0.17 0.22 -0.23 0.00 0.00 178.00 178.61 3m51 h ASP 195 N 0.42 -0.49 -0.84 1.44 1.82 -1.98 -1.90 116.42 114.88 3m51 h ASP 195 Ca 0.45 0.05 0.20 0.00 -0.39 0.00 0.00 57.03 57.33 3m51 h ASP 195 Cb 0.73 0.17 -0.05 0.00 0.68 0.00 0.00 39.33 40.86 3m51 h ASP 195 CO -0.45 -0.20 0.57 -0.09 -1.61 0.00 0.00 179.24 177.45 3m51 h ARG 196 N -0.30 0.30 0.27 0.28 2.43 -1.99 -2.39 114.38 112.98 3m51 h ARG 196 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3m51 h ARG 196 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3m51 h ARG 196 CO -0.05 0.20 -0.13 0.00 -1.51 0.00 0.00 179.97 178.47 3m51 h ALA 197 N 1.62 -1.09 -0.98 2.80 0.00 -1.43 -2.90 119.26 117.28 3m51 h ALA 197 Ca 0.42 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.45 3m51 h ALA 197 Cb 1.18 0.15 -0.19 0.00 0.00 0.00 0.00 17.79 18.93 3m51 h ALA 197 CO -0.12 -1.07 -0.24 0.00 0.00 0.00 0.00 179.25 177.83 3m51 h ASN 199 N 0.00 -0.25 -0.60 0.00 2.35 -1.57 1.57 115.58 117.08 3m51 h ASN 199 Ca 0.47 0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.35 3m51 h ASN 199 Cb 0.73 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 39.16 3m51 h ASN 199 CO -1.00 -0.12 0.28 0.25 -1.65 0.00 0.00 177.43 175.19 3m51 h LEU 200 N -0.11 0.35 0.01 1.61 6.46 -0.38 1.54 115.31 124.79 3m51 h LEU 200 Ca 0.06 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 3m51 h LEU 200 Cb 0.19 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 3m51 h LEU 200 CO -0.13 0.22 -0.01 0.00 -0.62 0.00 0.00 178.44 177.90 3m51 h ALA 201 N 1.36 -0.78 -0.11 1.25 0.00 0.62 -0.90 119.26 120.69 3m51 h ALA 201 Ca 0.29 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3m51 h ALA 201 Cb 0.27 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3m51 h ALA 201 CO -0.24 -0.78 -0.18 -0.22 0.00 0.00 0.00 179.25 177.83 3m51 h LYS 202 N -0.01 -0.23 -0.43 0.00 3.64 0.25 0.11 116.57 119.90 3m51 h LYS 202 Ca -0.00 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3m51 h LYS 202 Cb 0.01 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.79 3m51 h LYS 202 CO -0.00 -0.15 -0.36 0.37 -2.27 0.00 0.00 179.45 177.03 3m51 h GLN 203 N -0.24 -0.26 -0.75 1.90 5.75 0.21 0.34 115.11 122.07 3m51 h GLN 203 Ca 0.09 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 3m51 h GLN 203 Cb 0.37 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 3m51 h GLN 203 CO -0.25 -0.17 0.45 0.00 -2.65 0.00 0.00 178.83 176.21 3m51 h ALA 204 N 0.68 1.01 0.13 3.38 0.00 -0.44 -2.56 119.26 121.46 3m51 h ALA 204 Ca 0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3m51 h ALA 204 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m51 h ALA 204 CO -0.57 0.18 -0.06 0.35 0.00 0.00 0.00 179.25 179.14 3m51 h PHE 205 N 0.84 -0.17 0.34 0.00 3.57 0.11 -2.78 116.94 118.85 3m51 h PHE 205 Ca 0.32 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3m51 h PHE 205 Cb 0.14 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3m51 h PHE 205 CO -0.05 0.04 -0.35 -0.44 -2.23 0.00 0.00 178.31 175.28 3m51 h ASP 206 N -0.34 -0.95 0.00 0.41 3.32 -0.25 -1.54 116.42 117.06 3m51 h ASP 206 Ca -0.02 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3m51 h ASP 206 Cb 0.28 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3m51 h ASP 206 CO 0.03 -0.46 0.06 -1.84 -1.72 0.00 0.00 179.24 175.31 3m51 n GLU 207 N -4.49 0.03 0.07 3.56 0.28 -0.98 0.15 120.64 119.26 3m51 n GLU 207 Ca -0.08 0.49 -0.21 0.00 -0.16 0.00 0.00 57.16 57.20 3m51 n GLU 207 Cb 0.32 -1.67 -0.14 0.00 1.43 0.00 0.00 31.44 31.38 3m51 n GLU 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3m51 h ALA 208 N 1.79 -0.05 0.49 -1.84 0.00 -1.00 -3.38 119.26 115.27 3m51 h ALA 208 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 3m51 h ALA 208 Cb 0.12 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3m51 h ALA 208 CO 0.00 0.52 -0.24 0.82 0.00 0.00 0.00 179.25 180.35 3m51 h ILE 209 N -0.05 0.00 0.00 0.00 1.08 0.20 -3.04 117.51 115.70 3m51 h ILE 209 Ca -0.16 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 3m51 h ILE 209 Cb 1.76 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 3m51 h ILE 209 CO 0.19 0.00 0.06 0.00 -0.69 0.00 0.00 178.15 177.71 3m51 n ALA 210 N -2.45 0.00 -2.00 1.87 0.00 -0.11 0.44 120.51 118.25 3m51 n ALA 210 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3m51 n ALA 210 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3m51 n ALA 210 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3m51 n GLU 211 N -0.41 0.00 0.20 0.00 2.13 -1.20 -4.91 120.64 116.46 3m51 n GLU 211 Ca 0.00 -0.61 0.14 0.00 0.66 0.00 0.00 57.16 57.35 3m51 n GLU 211 Cb 0.06 -0.31 0.76 0.00 0.27 0.00 0.00 31.44 32.22 3m51 n GLU 211 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3m51 h LEU 212 N 0.00 0.00 0.00 4.31 6.46 0.92 -3.49 115.31 123.52 3m51 h LEU 212 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3m51 h LEU 212 Cb 1.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 3m51 h LEU 212 CO 0.00 0.00 0.00 0.47 -0.62 0.00 0.00 178.44 178.29 3m51 n ASP 213 N -4.15 0.00 -3.60 1.25 9.92 -1.26 -5.09 116.55 113.61 3m51 n ASP 213 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 3m51 n ASP 213 Cb 0.26 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.73 3m51 n ASP 213 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3m51 s TYR 220 N -0.01 -0.02 0.00 1.24 2.02 -1.26 -5.23 117.35 114.09 3m51 s TYR 220 Ca 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3m51 s TYR 220 Cb 0.00 0.51 0.00 0.00 -0.40 0.00 0.00 41.96 42.07 3m51 s TYR 220 CO 0.00 -0.06 0.00 1.17 -1.57 0.00 0.00 175.55 175.09 3m51 n LYS 221 N -0.26 0.00 -0.03 -0.62 0.00 -1.26 -4.41 118.16 111.58 3m51 n LYS 221 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.14 3m51 n LYS 221 Cb 0.60 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.53 3m51 n LYS 221 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3m51 h ASP 222 N 0.00 0.28 0.40 3.14 5.19 -1.99 -2.87 116.42 120.57 3m51 h ASP 222 Ca 0.00 -0.69 -0.02 0.00 -0.62 0.00 0.00 57.03 55.70 3m51 h ASP 222 Cb 0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 3m51 h ASP 222 CO 0.00 0.92 -0.19 0.28 -3.12 0.00 0.00 179.24 177.13 3m51 h SER 223 N -0.34 -0.46 -1.00 6.45 0.02 -1.85 -3.14 113.55 113.24 3m51 h SER 223 Ca -0.02 -0.12 0.29 0.00 -0.84 0.00 0.00 61.79 61.10 3m51 h SER 223 Cb 0.93 0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 3m51 h SER 223 CO 0.05 -0.07 0.58 0.71 -1.14 0.00 0.00 176.83 176.96 3m51 h THR 224 N -0.92 0.39 0.00 -2.27 1.35 -1.88 0.45 112.91 110.03 3m51 h THR 224 Ca -0.06 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 3m51 h THR 224 Cb 0.55 -0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 3m51 h THR 224 CO 0.09 0.08 -0.10 0.25 -0.25 0.00 0.00 175.52 175.58 3m51 h LEU 225 N 0.42 0.00 0.14 3.87 7.12 -1.52 -2.91 115.31 122.43 3m51 h LEU 225 Ca 0.70 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 58.47 3m51 h LEU 225 Cb 1.49 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.64 3m51 h LEU 225 CO -0.56 0.10 -1.14 0.40 -0.13 0.00 0.00 178.44 177.12 3m51 h ILE 226 N 0.00 1.27 -0.52 4.05 2.04 -0.08 -3.18 117.51 121.10 3m51 h ILE 226 Ca -0.00 -2.49 0.11 0.00 1.00 0.00 0.00 64.86 63.48 3m51 h ILE 226 Cb 0.69 2.97 -0.03 0.00 -0.74 0.00 0.00 36.82 39.71 3m51 h ILE 226 CO 0.01 0.72 0.36 0.24 0.00 0.00 0.00 178.15 179.48 3m51 h MET 227 N -0.31 0.22 -0.45 2.37 2.86 -1.28 -0.05 114.93 118.29 3m51 h MET 227 Ca -0.23 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 3m51 h MET 227 Cb 1.73 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 3m51 h MET 227 CO 0.12 0.14 -0.18 1.96 1.06 0.00 0.00 176.91 180.01 3m51 h GLN 228 N 0.22 0.91 -0.34 1.72 4.20 -1.58 -2.76 115.11 117.49 3m51 h GLN 228 Ca 0.25 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3m51 h GLN 228 Cb 0.67 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3m51 h GLN 228 CO -0.05 1.04 -0.00 -0.07 -0.67 0.00 0.00 178.83 179.08 3m51 h LEU 229 N 0.75 0.50 0.13 1.46 4.07 -1.01 -2.12 115.31 119.08 3m51 h LEU 229 Ca 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3m51 h LEU 229 Cb 0.74 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3m51 h LEU 229 CO 0.06 0.57 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.86 3m51 h LEU 230 N 0.51 -0.14 -0.95 1.67 3.38 -1.14 -1.21 115.31 117.43 3m51 h LEU 230 Ca 0.11 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3m51 h LEU 230 Cb 0.33 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3m51 h LEU 230 CO 0.01 0.02 0.62 -0.09 0.09 0.00 0.00 178.44 179.09 3m51 h ARG 231 N -0.30 1.15 -0.78 1.13 9.65 -1.32 -1.52 114.38 122.39 3m51 h ARG 231 Ca -0.02 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3m51 h ARG 231 Cb 0.24 -0.26 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3m51 h ARG 231 CO 0.03 0.76 0.39 -0.44 2.80 0.00 0.00 179.97 183.51 3m51 h ASP 232 N 1.18 0.99 -0.26 -3.80 5.19 -1.18 -2.12 116.42 116.42 3m51 h ASP 232 Ca 0.39 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 3m51 h ASP 232 Cb 0.04 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3m51 h ASP 232 CO -0.14 0.82 0.12 0.78 -3.12 0.00 0.00 179.24 177.70 3m51 h ASN 233 N 1.09 0.34 0.00 6.45 2.35 -0.23 -2.13 115.58 123.46 3m51 h ASN 233 Ca 0.27 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3m51 h ASN 233 Cb 0.07 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3m51 h ASN 233 CO -0.04 0.38 0.00 0.18 -1.65 0.00 0.00 177.43 176.30 3m51 n LEU 234 N -4.80 0.07 -0.35 1.61 7.99 -0.84 0.13 117.00 120.80 3m51 n LEU 234 Ca -0.03 0.56 0.29 0.00 -0.01 0.00 0.00 56.01 56.82 3m51 n LEU 234 Cb 0.11 -0.07 0.47 0.00 -0.11 0.00 0.00 43.42 43.81 3m51 n LEU 234 CO 0.35 -0.07 0.85 0.35 -1.51 0.00 0.00 177.39 177.36 3m51 n THR 235 N -0.72 -0.12 0.07 -5.08 -2.24 -0.82 0.38 114.28 105.75 3m51 n THR 235 Ca 0.00 1.12 -0.21 0.00 -2.27 0.00 0.00 64.05 62.69 3m51 n THR 235 Cb 0.00 -1.84 -0.15 0.00 -2.10 0.00 0.00 70.33 66.24 3m51 n THR 235 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3m51 h LEU 236 N 0.00 0.58 -0.92 3.22 5.85 -1.11 -3.21 115.31 119.73 3m51 h LEU 236 Ca 0.59 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3m51 h LEU 236 Cb 2.03 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.87 3m51 h LEU 236 CO -0.22 1.46 0.00 -0.50 -0.34 0.00 0.00 178.44 178.84 3m51 h TRP 237 N -0.20 0.00 -0.29 1.25 6.55 1.51 -2.99 115.95 121.77 3m51 h TRP 237 Ca -0.16 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.68 3m51 h TRP 237 Cb 1.75 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.05 3m51 h TRP 237 CO 0.17 0.00 0.00 2.41 -1.05 0.00 0.00 178.44 179.97 3m51 n THR 238 N -2.83 0.38 0.00 1.49 -1.04 0.30 -4.30 114.28 108.28 3m51 n THR 238 Ca 0.02 -0.52 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 3m51 n THR 238 Cb 0.34 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 3m51 n THR 238 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3m51 n SER 239 N 0.76 4.23 0.00 8.00 7.64 -1.13 -5.01 113.62 128.10 3m51 n SER 239 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3m51 n SER 239 Cb 0.42 0.56 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 3m51 n SER 239 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50