#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 h ALA 10 N 0.00 0.20 -2.47 4.61 0.00 -2.05 -3.45 119.26 116.09 1a67 h ALA 10 Ca 0.00 -1.07 -0.55 0.00 0.00 0.00 0.00 54.91 53.29 1a67 h ALA 10 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1a67 h ALA 10 CO 0.00 0.72 0.31 -1.25 0.00 0.00 0.00 179.25 179.03 1a67 s PRO 11 N -2.42 4.48 0.10 0.00 0.04 -1.26 -4.81 135.00 131.14 1a67 s PRO 11 Ca -0.23 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.06 1a67 s PRO 11 Cb 0.04 -3.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1a67 s PRO 11 CO 0.71 -0.07 -0.08 0.14 0.04 0.00 0.00 177.00 177.73 1a67 s VAL 12 N 1.18 0.83 0.47 -0.36 -7.23 -1.04 -4.98 120.40 109.26 1a67 s VAL 12 Ca 0.46 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.66 1a67 s VAL 12 Cb -0.19 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.15 1a67 s VAL 12 CO 0.22 -0.71 0.96 -2.16 -0.31 0.00 0.00 175.10 173.10 1a67 s PRO 13 N -3.29 4.08 -0.16 4.82 0.04 -1.26 -1.44 135.00 137.78 1a67 s PRO 13 Ca 0.09 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1a67 s PRO 13 Cb 0.01 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1a67 s PRO 13 CO -0.02 -0.15 -0.03 0.08 0.04 0.00 0.00 177.00 176.92 1a67 s VAL 14 N -2.40 3.92 -0.69 -0.36 1.01 -1.21 -4.87 120.40 115.80 1a67 s VAL 14 Ca 0.60 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1a67 s VAL 14 Cb -0.09 -2.73 0.32 0.00 0.00 0.00 0.00 36.38 33.88 1a67 s VAL 14 CO 0.23 0.48 1.10 -0.90 0.00 0.00 0.00 175.10 176.01 1a67 n ASP 15 N 3.65 4.98 -2.76 3.32 5.68 -1.26 -4.84 116.55 125.32 1a67 n ASP 15 Ca -0.17 -3.65 -0.16 0.00 -0.50 0.00 0.00 54.79 50.31 1a67 n ASP 15 Cb 0.52 -0.71 -0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1a67 n ASP 15 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1a67 n GLU 16 N -0.01 -2.80 -0.05 0.11 0.00 -1.26 -4.83 120.64 111.81 1a67 n GLU 16 Ca 0.34 0.58 -0.15 0.00 0.00 0.00 0.00 57.16 57.93 1a67 n GLU 16 Cb 0.37 -5.23 -0.08 0.00 0.00 0.00 0.00 31.44 26.50 1a67 n GLU 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1a67 h ASN 17 N -0.40 0.54 -3.51 4.31 4.21 -1.98 -3.41 115.58 115.34 1a67 h ASN 17 Ca -0.35 -0.58 -0.61 0.00 1.21 0.00 0.00 56.30 55.97 1a67 h ASN 17 Cb 1.25 -0.16 -0.11 0.00 -1.12 0.00 0.00 38.32 38.18 1a67 h ASN 17 CO 0.42 1.02 0.37 -0.62 -1.29 0.00 0.00 177.43 177.33 1a67 s ASP 18 N -6.46 6.57 0.18 5.81 -1.08 -1.26 -4.92 116.67 115.50 1a67 s ASP 18 Ca -0.13 0.41 -0.06 0.00 -0.52 0.00 0.00 52.55 52.24 1a67 s ASP 18 Cb 0.06 -2.40 0.07 0.00 -1.46 0.00 0.00 42.92 39.19 1a67 s ASP 18 CO 0.80 -0.71 1.51 -0.08 0.52 0.00 0.00 175.17 177.21 1a67 h GLU 19 N 8.41 0.73 0.00 4.34 4.57 -2.01 -2.59 114.58 128.03 1a67 h GLU 19 Ca -0.25 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 1a67 h GLU 19 Cb 1.09 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1a67 h GLU 19 CO 0.90 1.03 0.00 0.41 -1.18 0.00 0.00 179.01 180.17 1a67 n GLY 20 N 0.14 -0.90 0.15 1.92 0.00 -1.26 -1.62 105.19 103.62 1a67 n GLY 20 Ca -0.03 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.27 1a67 n GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a67 n LEU 21 N -2.17 0.60 0.07 0.99 7.94 -0.98 -1.77 117.00 121.69 1a67 n LEU 21 Ca -0.01 0.73 0.08 0.00 -1.11 0.00 0.00 56.01 55.70 1a67 n LEU 21 Cb 0.07 -0.74 0.37 0.00 0.53 0.00 0.00 43.42 43.64 1a67 n LEU 21 CO 0.10 -0.81 0.75 1.67 -1.11 0.00 0.00 177.39 177.99 1a67 n GLN 22 N -2.25 0.09 -0.06 1.96 7.27 -0.64 -2.54 117.38 121.21 1a67 n GLN 22 Ca -0.00 0.43 -0.22 0.00 0.07 0.00 0.00 57.00 57.28 1a67 n GLN 22 Cb 0.10 -1.71 -0.13 0.00 2.41 0.00 0.00 30.24 30.92 1a67 n GLN 22 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1a67 h ARG 23 N 0.00 0.11 0.00 3.69 2.43 -1.60 -3.32 114.38 115.69 1a67 h ARG 23 Ca 0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1a67 h ARG 23 Cb 0.19 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1a67 h ARG 23 CO 0.00 1.09 0.16 0.00 -1.51 0.00 0.00 179.97 179.71 1a67 h ALA 24 N -0.26 1.14 -0.24 2.80 0.00 -1.64 -0.05 119.26 121.00 1a67 h ALA 24 Ca -0.37 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1a67 h ALA 24 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1a67 h ALA 24 CO -0.09 -0.14 -0.59 1.25 0.00 0.00 0.00 179.25 179.68 1a67 h LEU 25 N 0.00 0.93 -0.82 0.00 7.12 -1.62 -2.77 115.31 118.15 1a67 h LEU 25 Ca 0.00 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.45 1a67 h LEU 25 Cb 0.32 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1a67 h LEU 25 CO 0.00 1.33 0.00 0.00 -0.13 0.00 0.00 178.44 179.64 1a67 n GLN 26 N -4.02 0.15 0.01 1.25 6.02 -0.04 -2.40 117.38 118.35 1a67 n GLN 26 Ca -0.05 0.47 -0.18 0.00 -0.01 0.00 0.00 57.00 57.23 1a67 n GLN 26 Cb 0.65 -1.85 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 1a67 n GLN 26 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1a67 h PHE 27 N 0.00 0.72 0.04 1.08 3.04 -1.50 -3.05 116.94 117.26 1a67 h PHE 27 Ca 0.00 -0.38 -0.00 0.00 3.98 0.00 0.00 57.97 61.57 1a67 h PHE 27 Cb 0.23 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1a67 h PHE 27 CO 0.00 1.19 -0.02 0.00 -2.02 0.00 0.00 178.31 177.46 1a67 h ALA 28 N 0.36 -0.06 0.34 2.41 0.00 -1.50 -2.75 119.26 118.07 1a67 h ALA 28 Ca -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1a67 h ALA 28 Cb 1.36 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1a67 h ALA 28 CO 0.13 -0.25 -0.30 0.52 0.00 0.00 0.00 179.25 179.36 1a67 h MET 29 N -0.63 -0.63 0.06 0.00 2.86 -1.67 -2.00 114.93 112.92 1a67 h MET 29 Ca -0.01 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1a67 h MET 29 Cb 0.56 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 1a67 h MET 29 CO 0.01 -0.42 -0.35 0.00 1.06 0.00 0.00 176.91 177.20 1a67 h ALA 30 N -0.12 -0.57 -1.08 6.32 0.00 -1.65 0.97 119.26 123.14 1a67 h ALA 30 Ca -0.02 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.14 1a67 h ALA 30 Cb 0.59 0.60 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1a67 h ALA 30 CO -0.03 -0.89 0.69 0.93 0.00 0.00 0.00 179.25 179.94 1a67 h GLU 31 N -0.54 0.34 -0.48 0.00 4.39 -1.36 0.78 114.58 117.70 1a67 h GLU 31 Ca 0.04 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1a67 h GLU 31 Cb 0.60 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1a67 h GLU 31 CO -0.25 0.23 -0.09 -0.92 -1.16 0.00 0.00 179.01 176.82 1a67 h TYR 32 N 0.35 1.01 -0.37 4.33 3.20 -0.10 0.30 116.97 125.70 1a67 h TYR 32 Ca 0.64 -0.21 0.07 0.00 3.14 0.00 0.00 58.73 62.37 1a67 h TYR 32 Cb 1.66 -0.25 -0.09 0.00 1.54 0.00 0.00 36.73 39.59 1a67 h TYR 32 CO -0.00 0.98 -0.35 -0.91 -1.64 0.00 0.00 178.16 176.24 1a67 h ASN 33 N 0.76 -1.14 0.44 -2.11 -0.26 0.20 -0.48 115.58 112.99 1a67 h ASN 33 Ca 0.12 0.19 0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1a67 h ASN 33 Cb 0.63 0.52 0.00 0.00 -1.06 0.00 0.00 38.32 38.41 1a67 h ASN 33 CO 0.04 -0.34 -0.73 -1.14 -1.06 0.00 0.00 177.43 174.21 1a67 n ARG 34 N -5.42 0.11 0.08 0.81 0.63 -1.10 -4.11 116.66 107.65 1a67 n ARG 34 Ca 0.00 0.01 0.12 0.00 -0.92 0.00 0.00 57.85 57.06 1a67 n ARG 34 Cb 0.34 -1.54 0.12 0.00 0.45 0.00 0.00 32.46 31.83 1a67 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a67 h ALA 35 N 2.83 0.57 -0.01 5.13 0.00 0.28 -3.31 119.26 124.76 1a67 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a67 h ALA 35 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a67 h ALA 35 CO 0.00 0.00 -0.21 -1.13 0.00 0.00 0.00 179.25 177.91 1a67 n SER 36 N -2.31 1.09 -1.78 0.00 3.41 -0.25 -4.89 113.62 108.89 1a67 n SER 36 Ca 0.02 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1a67 n SER 36 Cb 0.47 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1a67 n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1a67 n ASN 37 N -0.52 -0.61 -3.68 4.04 2.85 -1.25 -4.83 115.26 111.26 1a67 n ASN 37 Ca 0.13 0.31 -0.30 0.00 -0.11 0.00 0.00 54.58 54.61 1a67 n ASN 37 Cb 0.35 -0.69 0.25 0.00 1.24 0.00 0.00 39.78 40.93 1a67 n ASN 37 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1a67 s ASP 38 N -1.38 0.90 -0.28 1.20 -4.77 -1.26 -5.01 116.67 106.08 1a67 s ASP 38 Ca 0.00 0.47 0.21 0.00 -3.30 0.00 0.00 52.55 49.93 1a67 s ASP 38 Cb 0.00 -0.59 0.49 0.00 -1.09 0.00 0.00 42.92 41.73 1a67 s ASP 38 CO 0.00 -4.12 1.14 1.17 0.70 0.00 0.00 175.17 174.06 1a67 n LYS 39 N -4.73 1.61 0.00 2.11 4.81 -1.26 -5.08 118.16 115.61 1a67 n LYS 39 Ca 0.15 -3.22 0.00 0.00 -0.87 0.00 0.00 58.31 54.37 1a67 n LYS 39 Cb 0.60 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1a67 n LYS 39 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a67 n TYR 40 N -0.62 0.00 -4.50 5.64 4.01 -1.26 -4.87 117.16 115.56 1a67 n TYR 40 Ca 0.05 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.44 1a67 n TYR 40 Cb 0.81 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.73 1a67 n TYR 40 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1a67 s SER 41 N 1.95 4.89 0.23 7.72 1.04 0.63 -3.39 113.70 126.77 1a67 s SER 41 Ca 0.00 0.03 0.10 0.00 0.48 0.00 0.00 55.95 56.56 1a67 s SER 41 Cb 0.00 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.72 1a67 s SER 41 CO 0.00 0.35 -0.08 -0.44 0.98 0.00 0.00 173.24 174.04 1a67 s SER 42 N -0.69 4.23 -0.29 7.02 0.01 -1.26 0.73 113.70 123.44 1a67 s SER 42 Ca 0.11 -0.69 -0.19 0.00 1.31 0.00 0.00 55.95 56.48 1a67 s SER 42 Cb -0.11 -0.68 0.14 0.00 0.21 0.00 0.00 66.02 65.58 1a67 s SER 42 CO 0.02 0.05 1.02 0.00 0.41 0.00 0.00 173.24 174.74 1a67 s ARG 43 N -3.29 0.39 0.42 12.44 1.70 -0.60 -4.93 118.95 125.08 1a67 s ARG 43 Ca 0.28 0.59 -0.22 0.00 -0.47 0.00 0.00 55.73 55.91 1a67 s ARG 43 Cb -0.07 0.12 -0.10 0.00 -0.57 0.00 0.00 34.95 34.33 1a67 s ARG 43 CO 0.17 -0.07 0.99 0.08 -1.08 0.00 0.00 175.30 175.39 1a67 s VAL 44 N 0.94 4.09 -0.21 4.99 1.01 -1.26 -1.40 120.40 128.55 1a67 s VAL 44 Ca -0.05 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.24 1a67 s VAL 44 Cb -0.04 -3.63 -0.19 0.00 0.00 0.00 0.00 36.38 32.52 1a67 s VAL 44 CO -0.12 -0.18 0.02 0.52 0.00 0.00 0.00 175.10 175.35 1a67 n VAL 45 N -0.46 1.59 0.00 2.92 0.31 -1.05 -4.88 118.33 116.77 1a67 n VAL 45 Ca 0.07 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1a67 n VAL 45 Cb 0.52 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1a67 n VAL 45 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1a67 n ARG 46 N -3.86 0.00 -1.29 5.55 3.00 -1.26 -5.08 116.66 113.72 1a67 n ARG 46 Ca -0.41 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.05 1a67 n ARG 46 Cb 0.90 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.37 1a67 n ARG 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1a67 n VAL 47 N 0.00 0.43 -0.01 5.15 3.14 -1.26 -4.28 118.33 121.50 1a67 n VAL 47 Ca 0.00 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.74 1a67 n VAL 47 Cb 0.00 -0.08 -0.14 0.00 -1.06 0.00 0.00 33.84 32.56 1a67 n VAL 47 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1a67 n ILE 48 N -1.37 1.68 0.00 1.55 2.08 -0.33 -4.92 119.36 118.05 1a67 n ILE 48 Ca 0.09 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.66 1a67 n ILE 48 Cb 0.45 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 38.04 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1a67 n SER 49 N -3.21 0.00 -3.72 4.38 2.88 -1.26 -5.00 113.62 107.69 1a67 n SER 49 Ca -0.23 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.15 1a67 n SER 49 Cb 1.05 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 64.35 1a67 n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a67 s ALA 50 N -2.00 -0.04 0.14 -1.46 0.00 -1.26 -3.53 121.76 113.61 1a67 s ALA 50 Ca 0.00 0.45 0.08 0.00 0.00 0.00 0.00 51.96 52.49 1a67 s ALA 50 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1a67 s ALA 50 CO 0.00 -0.30 -0.18 0.15 0.00 0.00 0.00 175.76 175.43 1a67 s LYS 51 N 1.58 1.19 -0.02 0.00 -0.14 -0.66 -3.32 119.74 118.37 1a67 s LYS 51 Ca -0.04 -1.31 0.04 0.00 -1.36 0.00 0.00 55.97 53.30 1a67 s LYS 51 Cb -0.12 -1.29 -0.01 0.00 -1.68 0.00 0.00 37.83 34.73 1a67 s LYS 51 CO -0.04 0.27 -0.12 -0.98 -0.76 0.00 0.00 175.35 173.71 1a67 s ARG 52 N -2.50 1.10 0.33 1.68 1.70 -0.52 -0.85 118.95 119.89 1a67 s ARG 52 Ca 0.12 -0.44 0.03 0.00 -0.47 0.00 0.00 55.73 54.97 1a67 s ARG 52 Cb -0.07 -1.04 -0.05 0.00 -0.57 0.00 0.00 34.95 33.22 1a67 s ARG 52 CO 0.05 0.24 0.09 -1.14 -1.08 0.00 0.00 175.30 173.46 1a67 s GLN 53 N -0.15 1.67 0.08 3.89 0.74 -0.47 -2.50 119.66 122.91 1a67 s GLN 53 Ca 0.02 -1.95 0.09 0.00 0.05 0.00 0.00 55.36 53.58 1a67 s GLN 53 Cb -0.06 -0.65 -0.03 0.00 1.10 0.00 0.00 33.01 33.36 1a67 s GLN 53 CO 0.00 -0.29 -0.25 -0.48 -0.55 0.00 0.00 175.29 173.72 1a67 s LEU 54 N -3.47 2.24 -0.48 3.68 0.05 -1.26 -1.11 118.68 118.33 1a67 s LEU 54 Ca 0.34 -0.65 0.06 0.00 0.05 0.00 0.00 54.13 53.92 1a67 s LEU 54 Cb 0.07 -1.16 0.26 0.00 -2.05 0.00 0.00 46.19 43.31 1a67 s LEU 54 CO 0.15 0.19 0.95 1.33 -0.55 0.00 0.00 176.35 178.41 1a67 n VAL 55 N 1.37 0.00 0.00 1.48 0.24 -1.26 -4.90 118.33 115.25 1a67 n VAL 55 Ca -0.18 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 1a67 n VAL 55 Cb 0.53 1.50 0.00 0.00 -1.47 0.00 0.00 33.84 34.40 1a67 n VAL 55 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1a67 n SER 56 N 1.32 0.00 0.00 -1.34 2.88 -1.26 -4.84 113.62 110.39 1a67 n SER 56 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1a67 n SER 56 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1a67 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a67 n GLY 57 N 0.00 5.95 3.76 0.46 0.00 -1.26 -5.07 105.19 109.03 1a67 n GLY 57 Ca 0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1a67 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a67 s ILE 58 N 0.98 4.25 -0.02 -0.61 1.01 -0.82 -4.43 121.20 121.57 1a67 s ILE 58 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 1a67 s ILE 58 Cb 0.00 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1a67 s ILE 58 CO 0.00 -0.11 0.04 -0.75 0.00 0.00 0.00 174.94 174.12 1a67 s LYS 59 N -3.04 0.05 0.17 2.79 2.20 -0.27 -0.87 119.74 120.77 1a67 s LYS 59 Ca 0.30 0.05 0.07 0.00 -0.36 0.00 0.00 55.97 56.04 1a67 s LYS 59 Cb -0.10 0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1a67 s LYS 59 CO 0.22 -0.01 -0.01 0.71 -0.36 0.00 0.00 175.35 175.91 1a67 s TYR 60 N 0.02 2.83 -0.14 4.03 2.02 -0.35 -1.37 117.35 124.38 1a67 s TYR 60 Ca -0.00 -0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1a67 s TYR 60 Cb -0.00 -1.37 0.06 0.00 -0.40 0.00 0.00 41.96 40.25 1a67 s TYR 60 CO 0.00 0.52 0.16 0.96 -1.57 0.00 0.00 175.55 175.62 1a67 s ILE 61 N -1.73 -0.24 -0.00 2.71 -4.36 -0.03 -1.00 121.20 116.54 1a67 s ILE 61 Ca 0.27 0.09 0.07 0.00 -0.26 0.00 0.00 60.65 60.83 1a67 s ILE 61 Cb -0.09 -0.48 -0.02 0.00 1.25 0.00 0.00 42.46 43.12 1a67 s ILE 61 CO 0.18 -0.06 -0.23 -1.48 0.24 0.00 0.00 174.94 173.59 1a67 s LEU 62 N 2.27 2.08 -0.40 0.37 2.34 -0.58 -1.66 118.68 123.10 1a67 s LEU 62 Ca 0.04 -0.45 -0.04 0.00 0.06 0.00 0.00 54.13 53.74 1a67 s LEU 62 Cb -0.14 -1.18 0.10 0.00 -0.56 0.00 0.00 46.19 44.41 1a67 s LEU 62 CO -0.08 0.27 0.18 -1.10 -1.06 0.00 0.00 176.35 174.56 1a67 s GLN 63 N -0.71 2.17 0.09 1.48 1.11 -1.23 -0.48 119.66 122.07 1a67 s GLN 63 Ca 0.09 -1.68 -0.05 0.00 0.01 0.00 0.00 55.36 53.73 1a67 s GLN 63 Cb -0.09 -3.56 -0.05 0.00 -1.01 0.00 0.00 33.01 28.30 1a67 s GLN 63 CO -0.00 -0.99 0.33 0.14 0.01 0.00 0.00 175.29 174.78 1a67 s VAL 64 N 1.20 5.22 -1.06 1.09 -7.23 0.23 -1.18 120.40 118.68 1a67 s VAL 64 Ca 0.05 0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1a67 s VAL 64 Cb -0.22 -3.61 0.28 0.00 0.56 0.00 0.00 36.38 33.38 1a67 s VAL 64 CO -0.03 0.17 1.14 1.21 -0.31 0.00 0.00 175.10 177.29 1a67 n GLU 65 N 0.50 3.60 -2.98 4.82 2.13 -1.26 -0.29 120.64 127.16 1a67 n GLU 65 Ca -0.06 -4.50 -0.40 0.00 0.66 0.00 0.00 57.16 52.86 1a67 n GLU 65 Cb 0.52 -2.51 -0.04 0.00 0.27 0.00 0.00 31.44 29.68 1a67 n GLU 65 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 1a67 s ILE 66 N -1.73 4.99 0.37 6.31 -4.36 0.34 -2.54 121.20 124.58 1a67 s ILE 66 Ca 0.31 1.54 0.08 0.00 -0.26 0.00 0.00 60.65 62.31 1a67 s ILE 66 Cb -0.05 -4.09 -0.03 0.00 1.25 0.00 0.00 42.46 39.54 1a67 s ILE 66 CO -0.04 0.19 0.29 -0.83 0.24 0.00 0.00 174.94 174.79 1a67 s GLY 67 N 0.91 1.96 0.56 6.27 0.00 -0.49 0.14 107.32 116.66 1a67 s GLY 67 Ca 0.39 -1.79 0.08 0.00 0.00 0.00 0.00 44.72 43.40 1a67 s GLY 67 CO 0.18 -1.67 0.63 0.50 0.00 0.00 0.00 173.10 172.74 1a67 s ARG 68 N -4.01 2.30 0.32 2.90 0.52 -1.26 -1.56 118.95 118.16 1a67 s ARG 68 Ca 0.43 -1.78 -0.18 0.00 -0.52 0.00 0.00 55.73 53.67 1a67 s ARG 68 Cb -0.04 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 33.05 1a67 s ARG 68 CO 0.26 -0.74 0.81 -0.08 0.02 0.00 0.00 175.30 175.57 1a67 s THR 69 N -2.70 0.00 0.00 0.02 -1.32 0.22 -3.93 115.64 107.93 1a67 s THR 69 Ca 0.50 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 1a67 s THR 69 Cb -0.04 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1a67 s THR 69 CO 0.32 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 173.08 1a67 n THR 70 N -0.53 0.00 0.00 5.08 -2.24 -0.36 -1.79 114.28 114.44 1a67 n THR 70 Ca -0.07 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1a67 n THR 70 Cb 0.60 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a67 s PRO 72 N 0.00 3.99 4.06 0.00 0.04 -1.26 -0.27 135.00 141.56 1a67 s PRO 72 Ca 0.00 -2.15 0.00 0.00 0.04 0.00 0.00 61.00 58.89 1a67 s PRO 72 Cb 0.00 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1a67 s PRO 72 CO 0.00 -2.07 0.00 1.17 0.04 0.00 0.00 177.00 176.14 1a67 n LYS 73 N 7.41 0.00 -1.66 4.56 4.81 -1.22 -3.45 118.16 128.61 1a67 n LYS 73 Ca 0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.59 1a67 n LYS 73 Cb 0.45 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.56 1a67 n LYS 73 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1a67 n SER 74 N -0.39 6.10 -1.00 3.14 7.64 -1.26 -4.55 113.62 123.30 1a67 n SER 74 Ca 0.00 -3.77 0.08 0.00 1.01 0.00 0.00 58.87 56.19 1a67 n SER 74 Cb 0.00 -0.64 0.25 0.00 -1.01 0.00 0.00 64.21 62.81 1a67 n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a67 n SER 75 N -0.82 3.81 -0.71 6.43 7.64 -1.22 -4.41 113.62 124.34 1a67 n SER 75 Ca 0.52 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1a67 n SER 75 Cb 0.84 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a67 n GLY 76 N 0.27 0.68 0.86 0.23 0.00 -1.26 -5.06 105.19 100.91 1a67 n GLY 76 Ca 0.19 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.17 1a67 n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a67 n ASP 77 N 0.09 -5.10 -3.20 1.61 2.03 -1.26 -4.80 116.55 105.91 1a67 n ASP 77 Ca -0.01 0.65 -0.23 0.00 0.52 0.00 0.00 54.79 55.72 1a67 n ASP 77 Cb 0.74 -2.80 -0.06 0.00 -0.72 0.00 0.00 41.12 38.28 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a67 n LEU 78 N -3.56 1.38 -0.44 -2.67 4.32 -1.26 -4.91 117.00 109.86 1a67 n LEU 78 Ca -0.03 -5.00 0.03 0.00 -0.02 0.00 0.00 56.01 50.99 1a67 n LEU 78 Cb 0.40 0.32 0.10 0.00 -1.62 0.00 0.00 43.42 42.62 1a67 n LEU 78 CO 0.02 2.16 0.57 0.00 -1.22 0.00 0.00 177.39 178.91 1a67 n GLN 79 N 0.85 1.55 0.00 3.23 0.00 -1.26 -4.79 117.38 116.96 1a67 n GLN 79 Ca 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 57.00 56.47 1a67 n GLN 79 Cb 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.55 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1a67 n SER 80 N 0.13 0.00 -1.35 2.61 3.41 -1.26 -5.15 113.62 112.00 1a67 n SER 80 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1a67 n SER 80 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1a67 n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a67 s GLU 82 N -4.73 0.72 0.48 0.00 0.41 -1.26 -5.00 118.70 109.32 1a67 s GLU 82 Ca 0.00 -0.17 0.20 0.00 -0.41 0.00 0.00 54.97 54.58 1a67 s GLU 82 Cb 0.00 0.32 1.06 0.00 -1.78 0.00 0.00 34.13 33.73 1a67 s GLU 82 CO 0.00 -0.21 1.54 0.74 -0.49 0.00 0.00 175.26 176.85 1a67 h PHE 83 N 3.72 0.00 0.00 1.61 -1.00 -1.92 -0.95 116.94 118.40 1a67 h PHE 83 Ca -0.30 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.48 1a67 h PHE 83 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1a67 h PHE 83 CO 0.51 0.00 0.00 1.58 -1.61 0.00 0.00 178.31 178.79 1a67 n HIS 84 N -2.41 0.00 0.00 -0.55 -0.00 -1.26 -3.44 115.22 107.56 1a67 n HIS 84 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 1a67 n HIS 84 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 1a67 n HIS 84 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1a67 n ASP 85 N 0.00 0.00 -4.46 0.26 8.00 -1.26 -4.39 116.55 114.70 1a67 n ASP 85 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1a67 n ASP 85 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1a67 n ASP 85 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a67 s GLU 86 N 0.00 1.63 -0.01 -1.24 2.02 -1.26 -5.00 118.70 114.84 1a67 s GLU 86 Ca 0.00 -1.77 -0.17 0.00 0.02 0.00 0.00 54.97 53.05 1a67 s GLU 86 Cb 0.00 -1.55 -0.33 0.00 0.10 0.00 0.00 34.13 32.35 1a67 s GLU 86 CO 0.00 0.22 0.89 -1.00 0.02 0.00 0.00 175.26 175.39 1a67 h PRO 87 N 2.27 0.45 0.00 0.39 0.13 -1.93 -3.07 132.00 130.24 1a67 h PRO 87 Ca -0.40 -0.76 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 1a67 h PRO 87 Cb 1.25 0.28 0.00 0.00 0.13 0.00 0.00 31.00 32.66 1a67 h PRO 87 CO 0.64 1.37 0.04 0.93 -0.23 0.00 0.00 178.00 180.74 1a67 h GLU 88 N -0.01 0.00 -0.45 0.86 5.08 -1.97 -0.96 114.58 117.14 1a67 h GLU 88 Ca -0.25 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.78 1a67 h GLU 88 Cb 2.02 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.97 1a67 h GLU 88 CO 0.22 0.00 -0.77 -1.33 -1.00 0.00 0.00 179.01 176.13 1a67 n MET 89 N -2.97 2.60 -4.27 2.33 2.81 -1.23 -5.03 117.12 111.36 1a67 n MET 89 Ca -0.03 -3.72 -0.16 0.00 -1.81 0.00 0.00 57.70 51.98 1a67 n MET 89 Cb 0.10 -1.88 -0.10 0.00 -0.71 0.00 0.00 33.22 30.63 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a67 s ALA 90 N -3.31 1.60 0.00 3.04 0.00 -0.37 -4.79 121.76 117.94 1a67 s ALA 90 Ca 0.44 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1a67 s ALA 90 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1a67 s ALA 90 CO -0.01 0.01 0.00 1.17 0.00 0.00 0.00 175.76 176.93 1a67 n LYS 91 N 0.01 3.77 -0.45 0.00 4.81 -1.26 -4.96 118.16 120.07 1a67 n LYS 91 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.33 1a67 n LYS 91 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a67 n TYR 92 N 0.00 -0.34 -3.67 5.64 4.01 -1.26 -4.76 117.16 116.78 1a67 n TYR 92 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1a67 n TYR 92 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1a67 s THR 93 N -2.86 -0.33 0.32 -0.72 2.01 0.37 -4.85 115.64 109.59 1a67 s THR 93 Ca 0.00 0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.09 1a67 s THR 93 Cb 0.00 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1a67 s THR 93 CO 0.00 0.12 0.81 0.28 -0.69 0.00 0.00 174.62 175.14 1a67 s THR 94 N 2.22 4.52 0.17 -0.82 -1.32 -1.26 0.13 115.64 119.27 1a67 s THR 94 Ca 0.00 1.28 -0.23 0.00 -1.21 0.00 0.00 61.69 61.53 1a67 s THR 94 Cb -0.12 -3.74 0.06 0.00 -1.51 0.00 0.00 72.50 67.20 1a67 s THR 94 CO -0.08 -0.06 0.69 0.00 -2.21 0.00 0.00 174.62 172.97 1a67 s THR 96 N -3.69 -0.57 0.44 0.00 2.01 0.83 0.77 115.64 115.42 1a67 s THR 96 Ca 0.05 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 1a67 s THR 96 Cb -0.02 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 1a67 s THR 96 CO -0.06 -0.07 0.68 -0.36 -0.69 0.00 0.00 174.62 174.12 1a67 s PHE 97 N 2.53 3.36 -0.12 4.92 0.08 0.36 0.44 117.98 129.55 1a67 s PHE 97 Ca 0.08 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 1a67 s PHE 97 Cb -0.14 -2.23 0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1a67 s PHE 97 CO -0.14 -0.25 -0.02 0.08 -0.10 0.00 0.00 175.22 174.79 1a67 s VAL 98 N -2.56 0.67 0.28 -0.44 1.01 -1.05 -1.52 120.40 116.78 1a67 s VAL 98 Ca 0.46 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1a67 s VAL 98 Cb -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1a67 s VAL 98 CO 0.39 0.16 0.35 -0.69 0.00 0.00 0.00 175.10 175.31 1a67 s VAL 99 N 1.84 4.62 0.09 2.92 1.01 -0.17 -2.49 120.40 128.22 1a67 s VAL 99 Ca 0.03 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.97 1a67 s VAL 99 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1a67 s VAL 99 CO -0.07 -0.27 -0.19 -0.47 0.00 0.00 0.00 175.10 174.09 1a67 s TYR 100 N -2.09 1.66 -0.28 5.22 5.04 -0.57 -1.21 117.35 125.12 1a67 s TYR 100 Ca 0.37 -0.42 0.01 0.00 -2.44 0.00 0.00 57.07 54.59 1a67 s TYR 100 Cb -0.09 -0.92 0.16 0.00 0.35 0.00 0.00 41.96 41.46 1a67 s TYR 100 CO 0.28 0.16 0.43 0.45 -1.34 0.00 0.00 175.55 175.54 1a67 s SER 101 N -1.79 -0.00 -0.29 4.32 0.15 -0.05 -1.50 113.70 114.54 1a67 s SER 101 Ca 0.05 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.68 1a67 s SER 101 Cb -0.10 1.29 0.16 0.00 -1.71 0.00 0.00 66.02 65.66 1a67 s SER 101 CO 0.04 -0.32 0.42 0.27 1.20 0.00 0.00 173.24 174.84 1a67 s ILE 102 N 2.60 -0.65 -1.29 6.45 -0.00 -0.61 -1.95 121.20 125.75 1a67 s ILE 102 Ca 0.12 -0.27 0.26 0.00 -0.00 0.00 0.00 60.65 60.76 1a67 s ILE 102 Cb -0.13 -0.98 0.15 0.00 -0.00 0.00 0.00 42.46 41.50 1a67 s ILE 102 CO -0.25 -0.26 1.56 -0.81 -0.00 0.00 0.00 174.94 175.18 1a67 n PRO 103 N 5.36 0.32 0.07 0.37 -0.04 -1.26 0.15 135.00 139.96 1a67 n PRO 103 Ca 0.01 -0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1a67 n PRO 103 Cb 0.50 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.93 1a67 n PRO 103 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1a67 n TRP 104 N -1.19 0.61 -2.00 0.54 -0.00 -1.26 -4.31 117.44 109.82 1a67 n TRP 104 Ca 0.09 0.18 -0.02 0.00 -0.00 0.00 0.00 57.50 57.75 1a67 n TRP 104 Cb 0.33 -0.80 -0.02 0.00 -0.00 0.00 0.00 31.31 30.82 1a67 n TRP 104 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1a67 n LEU 105 N -2.00 -0.27 0.00 5.67 4.77 -1.26 -5.06 117.00 118.85 1a67 n LEU 105 Ca 0.06 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1a67 n LEU 105 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1a67 n LEU 105 CO 0.28 1.12 0.00 -3.20 -1.33 0.00 0.00 177.39 174.26 1a67 n ASN 106 N 0.00 0.00 0.00 -1.43 5.15 -1.21 -5.14 115.26 112.64 1a67 n ASN 106 Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1a67 n ASN 106 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1a67 n ASN 106 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1a67 n GLN 107 N 0.00 -1.88 -3.50 1.20 7.27 0.39 -4.84 117.38 116.02 1a67 n GLN 107 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 1a67 n GLN 107 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1a67 n GLN 107 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1a67 s ILE 108 N -2.91 5.10 0.36 1.69 -1.16 -1.26 -1.57 121.20 121.45 1a67 s ILE 108 Ca 0.00 -0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 60.01 1a67 s ILE 108 Cb 0.00 -3.72 0.01 0.00 0.61 0.00 0.00 42.46 39.35 1a67 s ILE 108 CO 0.00 -0.24 0.51 1.17 -2.81 0.00 0.00 174.94 173.57 1a67 n LYS 109 N -0.76 0.73 -3.44 3.50 4.81 -0.57 -4.93 118.16 117.50 1a67 n LYS 109 Ca -0.03 -2.88 -0.27 0.00 -0.87 0.00 0.00 58.31 54.27 1a67 n LYS 109 Cb 0.54 2.78 -0.11 0.00 0.02 0.00 0.00 35.03 38.25 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1a67 s LEU 110 N 0.00 0.74 0.03 3.14 1.98 -1.26 -1.51 118.68 121.79 1a67 s LEU 110 Ca 0.30 -2.02 -0.06 0.00 -2.89 0.00 0.00 54.13 49.46 1a67 s LEU 110 Cb -0.01 -0.20 -0.02 0.00 0.66 0.00 0.00 46.19 46.63 1a67 s LEU 110 CO 0.21 -0.31 1.10 0.25 -1.89 0.00 0.00 176.35 175.72 1a67 h LEU 111 N 7.10 -0.39 0.00 -0.68 5.85 -1.81 -3.48 115.31 121.89 1a67 h LEU 111 Ca 0.05 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1a67 h LEU 111 Cb 0.99 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1a67 h LEU 111 CO 0.26 -0.06 0.00 -1.84 -0.34 0.00 0.00 178.44 176.46 1a67 n GLU 112 N -3.34 -2.36 -3.54 1.25 0.28 -1.24 -5.04 120.64 106.65 1a67 n GLU 112 Ca -0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 1a67 n GLU 112 Cb 0.06 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.87 1a67 n GLU 112 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1a67 s SER 113 N -2.80 6.72 -0.70 -1.84 1.04 -1.26 -2.54 113.70 112.32 1a67 s SER 113 Ca 0.00 0.88 0.04 0.00 0.48 0.00 0.00 55.95 57.35 1a67 s SER 113 Cb 0.00 -2.21 0.17 0.00 0.10 0.00 0.00 66.02 64.07 1a67 s SER 113 CO 0.00 0.25 0.49 -0.75 0.98 0.00 0.00 173.24 174.22 1a67 s LYS 114 N -1.48 2.49 0.38 4.02 2.36 0.17 -4.92 119.74 122.76 1a67 s LYS 114 Ca 0.28 -3.27 0.08 0.00 -2.55 0.00 0.00 55.97 50.51 1a67 s LYS 114 Cb -0.15 -3.46 -0.07 0.00 -1.05 0.00 0.00 37.83 33.09 1a67 s LYS 114 CO 0.15 -1.27 -0.03 0.00 1.55 0.00 0.00 175.35 175.76