#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a67 s ALA 10 N 0.00 0.58 0.55 4.61 0.00 -1.26 -5.06 121.76 121.18 1a67 s ALA 10 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1a67 s ALA 10 Cb 0.00 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 1a67 s ALA 10 CO 0.00 -0.14 0.98 -1.25 0.00 0.00 0.00 175.76 175.35 1a67 s PRO 11 N -2.38 3.75 0.23 0.00 0.04 -1.26 -4.63 135.00 130.75 1a67 s PRO 11 Ca -0.04 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.59 1a67 s PRO 11 Cb -0.04 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1a67 s PRO 11 CO -0.02 -0.38 0.62 0.14 0.04 0.00 0.00 177.00 177.39 1a67 s VAL 12 N -2.86 0.01 0.53 -0.36 -7.23 -1.08 -5.03 120.40 104.37 1a67 s VAL 12 Ca 0.56 -0.82 -0.13 0.00 -1.81 0.00 0.00 61.98 59.78 1a67 s VAL 12 Cb -0.10 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 35.03 1a67 s VAL 12 CO 0.42 -0.03 0.95 -2.16 -0.31 0.00 0.00 175.10 173.97 1a67 s PRO 13 N -3.89 3.77 -0.09 4.82 0.04 -1.26 -1.42 135.00 136.97 1a67 s PRO 13 Ca 0.10 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1a67 s PRO 13 Cb -0.03 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1a67 s PRO 13 CO 0.01 -0.34 -0.08 0.08 0.04 0.00 0.00 177.00 176.71 1a67 s VAL 14 N -2.79 3.57 -0.10 -0.36 1.01 -1.07 -4.70 120.40 115.95 1a67 s VAL 14 Ca 0.55 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1a67 s VAL 14 Cb -0.10 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1a67 s VAL 14 CO 0.40 0.57 0.11 1.51 0.00 0.00 0.00 175.10 177.69 1a67 s ASP 15 N -0.44 6.10 -0.15 3.32 1.47 -1.26 -4.91 116.67 120.79 1a67 s ASP 15 Ca 0.06 0.38 0.04 0.00 1.18 0.00 0.00 52.55 54.21 1a67 s ASP 15 Cb -0.12 -1.91 0.32 0.00 -0.34 0.00 0.00 42.92 40.87 1a67 s ASP 15 CO 0.02 0.39 1.24 -0.62 0.68 0.00 0.00 175.17 176.88 1a67 n GLU 16 N 1.95 2.08 0.02 2.11 -0.58 -1.26 -3.82 120.64 121.14 1a67 n GLU 16 Ca -0.19 -1.34 0.11 0.00 -0.42 0.00 0.00 57.16 55.32 1a67 n GLU 16 Cb 0.54 -1.66 0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1a67 n ASN 17 N 0.01 0.63 -4.67 1.62 3.02 -1.26 -4.85 115.26 109.76 1a67 n ASN 17 Ca 0.20 -0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 54.07 1a67 n ASN 17 Cb 0.85 0.75 -0.06 0.00 -0.61 0.00 0.00 39.78 40.72 1a67 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a67 s ASP 18 N -3.73 6.63 0.18 6.41 2.15 -1.25 -4.93 116.67 122.12 1a67 s ASP 18 Ca 0.05 0.76 0.24 0.00 0.43 0.00 0.00 52.55 54.03 1a67 s ASP 18 Cb 0.15 -2.31 0.90 0.00 -0.30 0.00 0.00 42.92 41.36 1a67 s ASP 18 CO 0.80 -0.17 1.72 1.21 -0.17 0.00 0.00 175.17 178.55 1a67 n GLU 19 N 4.62 0.16 -0.19 4.34 4.07 -1.26 -3.09 120.64 129.29 1a67 n GLU 19 Ca -0.04 0.29 -0.09 0.00 -0.06 0.00 0.00 57.16 57.26 1a67 n GLU 19 Cb 0.50 -1.75 0.04 0.00 -0.06 0.00 0.00 31.44 30.17 1a67 n GLU 19 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1a67 h GLY 20 N 3.28 1.11 2.00 8.31 0.00 -2.00 -2.34 103.07 113.43 1a67 h GLY 20 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1a67 h GLY 20 CO 0.00 0.76 0.00 -0.10 0.00 0.00 0.00 176.54 177.20 1a67 n LEU 21 N -4.17 0.66 0.07 3.11 0.00 -1.18 -2.98 117.00 112.52 1a67 n LEU 21 Ca 0.02 0.60 0.06 0.00 0.00 0.00 0.00 56.01 56.70 1a67 n LEU 21 Cb 0.36 -0.44 0.31 0.00 0.00 0.00 0.00 43.42 43.66 1a67 n LEU 21 CO 0.44 -0.32 0.69 1.67 0.00 0.00 0.00 177.39 179.88 1a67 n GLN 22 N -2.16 0.07 -0.07 1.96 7.27 -0.88 -2.18 117.38 121.40 1a67 n GLN 22 Ca 0.04 0.51 -0.13 0.00 0.07 0.00 0.00 57.00 57.49 1a67 n GLN 22 Cb 0.33 -1.71 -0.12 0.00 2.41 0.00 0.00 30.24 31.15 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 -0.00 0.00 3.69 2.43 -1.68 -3.20 114.38 115.61 1a67 h ARG 23 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1a67 h ARG 23 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1a67 h ARG 23 CO 0.00 0.93 0.21 0.00 -1.51 0.00 0.00 179.97 179.60 1a67 h ALA 24 N -0.06 1.20 -0.08 2.80 0.00 -1.65 -0.56 119.26 120.90 1a67 h ALA 24 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1a67 h ALA 24 Cb 0.93 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1a67 h ALA 24 CO 0.00 -0.20 -0.60 1.25 0.00 0.00 0.00 179.25 179.70 1a67 h LEU 25 N 0.00 0.68 -1.41 0.00 7.12 -1.54 -3.14 115.31 117.03 1a67 h LEU 25 Ca 0.00 -0.67 -0.03 0.00 0.13 0.00 0.00 57.88 57.32 1a67 h LEU 25 Cb 0.43 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.34 1a67 h LEU 25 CO 0.00 1.24 0.11 1.56 -0.13 0.00 0.00 178.44 181.22 1a67 h GLN 26 N 0.17 0.51 -0.57 1.25 4.20 -1.16 -2.27 115.11 117.24 1a67 h GLN 26 Ca -0.05 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.68 1a67 h GLN 26 Cb 1.26 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.88 1a67 h GLN 26 CO 0.12 0.45 0.19 0.35 -0.67 0.00 0.00 178.83 179.28 1a67 h PHE 27 N 0.51 0.33 -0.30 2.96 3.04 -1.49 -1.05 116.94 120.94 1a67 h PHE 27 Ca 0.12 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 1a67 h PHE 27 Cb 0.16 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1a67 h PHE 27 CO 0.01 0.07 -0.10 0.00 -2.02 0.00 0.00 178.31 176.27 1a67 h ALA 28 N 1.40 1.27 0.00 2.41 0.00 -1.43 -2.26 119.26 120.65 1a67 h ALA 28 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a67 h ALA 28 Cb 0.36 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a67 h ALA 28 CO -0.30 0.48 -0.07 1.98 0.00 0.00 0.00 179.25 181.34 1a67 h MET 29 N 0.47 0.00 0.01 0.00 4.05 -1.03 -1.58 114.93 116.84 1a67 h MET 29 Ca 0.09 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.40 1a67 h MET 29 Cb 0.46 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1a67 h MET 29 CO 0.03 0.07 -0.60 0.00 0.23 0.00 0.00 176.91 176.63 1a67 h ALA 30 N 1.93 0.12 -0.58 0.39 0.00 -1.16 -3.28 119.26 116.68 1a67 h ALA 30 Ca -0.00 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.12 1a67 h ALA 30 Cb 0.30 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1a67 h ALA 30 CO 0.01 0.34 0.39 1.05 0.00 0.00 0.00 179.25 181.03 1a67 h GLU 31 N -0.96 0.64 -0.09 0.00 4.11 -1.39 0.76 114.58 117.65 1a67 h GLU 31 Ca -0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.23 1a67 h GLU 31 Cb 1.17 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 1a67 h GLU 31 CO -0.08 0.43 0.06 -0.92 0.07 0.00 0.00 179.01 178.56 1a67 h TYR 32 N 0.66 0.11 0.00 2.06 3.20 -1.40 0.82 116.97 122.43 1a67 h TYR 32 Ca 0.24 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1a67 h TYR 32 Cb 0.11 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 1a67 h TYR 32 CO -0.00 0.07 -0.26 -0.97 -1.64 0.00 0.00 178.16 175.36 1a67 h ASN 33 N 0.12 0.00 0.09 -2.11 -1.24 -0.94 -3.27 115.58 108.23 1a67 h ASN 33 Ca 0.04 -0.27 -0.16 0.00 0.71 0.00 0.00 56.30 56.61 1a67 h ASN 33 Cb -0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1a67 h ASN 33 CO -0.01 0.78 -0.78 0.08 -1.29 0.00 0.00 177.43 176.21 1a67 h ARG 34 N -1.00 0.19 0.00 6.67 0.11 -1.29 -3.28 114.38 115.79 1a67 h ARG 34 Ca -0.04 -0.33 0.00 0.00 0.10 0.00 0.00 59.98 59.71 1a67 h ARG 34 Cb 0.48 0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1a67 h ARG 34 CO -0.02 1.16 0.00 0.00 0.10 0.00 0.00 179.97 181.20 1a67 n ALA 35 N -2.78 1.12 1.37 0.08 0.00 0.28 -1.51 120.51 119.07 1a67 n ALA 35 Ca -0.17 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1a67 n ALA 35 Cb 0.75 -1.27 0.66 0.00 0.00 0.00 0.00 19.45 19.59 1a67 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a67 n SER 36 N -2.11 0.00 0.00 0.00 3.41 -1.10 -4.82 113.62 109.00 1a67 n SER 36 Ca -0.01 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1a67 n SER 36 Cb 0.05 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.06 0.00 -4.00 4.04 5.15 -0.57 -4.52 115.26 114.30 1a67 n ASN 37 Ca 0.16 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.77 1a67 n ASN 37 Cb 0.10 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.38 1a67 n ASN 37 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1a67 n ASP 38 N 0.38 -2.93 -1.86 1.20 5.75 -1.26 -4.92 116.55 112.91 1a67 n ASP 38 Ca 0.00 -0.01 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 1a67 n ASP 38 Cb 0.00 -0.52 0.06 0.00 -1.03 0.00 0.00 41.12 39.63 1a67 n ASP 38 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1a67 n LYS 39 N 2.25 2.52 -3.60 0.11 0.00 -1.26 -5.05 118.16 113.12 1a67 n LYS 39 Ca -0.02 -3.68 -0.05 0.00 -0.00 0.00 0.00 58.31 54.56 1a67 n LYS 39 Cb 0.72 -1.82 -0.03 0.00 -0.00 0.00 0.00 35.03 33.90 1a67 n LYS 39 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1a67 s TYR 40 N -3.27 -0.15 -0.02 5.58 2.02 -1.26 -3.16 117.35 117.09 1a67 s TYR 40 Ca 0.42 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 1a67 s TYR 40 Cb 0.38 0.50 0.00 0.00 -0.40 0.00 0.00 41.96 42.44 1a67 s TYR 40 CO -0.02 -0.19 0.00 0.43 -1.57 0.00 0.00 175.55 174.20 1a67 n SER 41 N 0.18 -3.65 -4.31 2.29 7.64 0.17 -4.82 113.62 111.13 1a67 n SER 41 Ca -0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.53 1a67 n SER 41 Cb 0.58 -1.16 -0.15 0.00 -1.01 0.00 0.00 64.21 62.48 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1a67 s SER 42 N -2.03 3.92 -0.29 6.43 0.01 -1.26 -2.37 113.70 118.12 1a67 s SER 42 Ca 0.00 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 56.66 1a67 s SER 42 Cb 0.00 -1.62 0.14 0.00 0.21 0.00 0.00 66.02 64.75 1a67 s SER 42 CO 0.00 0.09 1.02 0.00 0.41 0.00 0.00 173.24 174.75 1a67 s ARG 43 N 0.81 0.42 0.44 12.44 1.70 -0.38 -4.59 118.95 129.79 1a67 s ARG 43 Ca -0.04 0.61 -0.00 0.00 -0.47 0.00 0.00 55.73 55.83 1a67 s ARG 43 Cb -0.15 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.36 1a67 s ARG 43 CO 0.01 -0.07 0.66 0.54 -1.08 0.00 0.00 175.30 175.36 1a67 s VAL 44 N 0.83 4.28 0.09 4.99 0.11 -1.26 -0.33 120.40 129.10 1a67 s VAL 44 Ca -0.03 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 1a67 s VAL 44 Cb -0.04 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1a67 s VAL 44 CO -0.11 -0.42 0.00 0.52 -3.33 0.00 0.00 175.10 171.75 1a67 n VAL 45 N -2.05 0.91 -3.60 2.04 0.31 -1.21 -4.79 118.33 109.95 1a67 n VAL 45 Ca 0.00 0.30 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 1a67 n VAL 45 Cb 0.57 -1.50 0.02 0.00 -0.91 0.00 0.00 33.84 32.02 1a67 n VAL 45 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1a67 n ARG 46 N -3.39 0.61 -4.01 5.55 1.85 -1.26 -5.07 116.66 110.93 1a67 n ARG 46 Ca 0.00 -1.24 -0.29 0.00 -1.00 0.00 0.00 57.85 55.32 1a67 n ARG 46 Cb 0.10 1.59 -0.05 0.00 -1.05 0.00 0.00 32.46 33.04 1a67 n ARG 46 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1a67 s VAL 47 N -2.35 4.82 -0.18 8.89 0.11 -1.26 -2.94 120.40 127.49 1a67 s VAL 47 Ca 0.12 -0.73 0.16 0.00 -2.93 0.00 0.00 61.98 58.61 1a67 s VAL 47 Cb -0.03 -3.38 -0.22 0.00 -1.53 0.00 0.00 36.38 31.22 1a67 s VAL 47 CO 0.06 0.06 0.06 -0.38 -3.33 0.00 0.00 175.10 171.57 1a67 n ILE 48 N 0.15 1.25 0.00 7.04 5.41 0.23 -4.90 119.36 128.54 1a67 n ILE 48 Ca -0.07 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 62.90 1a67 n ILE 48 Cb 0.52 -0.51 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 1a67 n ILE 48 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1a67 n SER 49 N -2.67 0.00 -3.66 4.38 2.88 -1.25 -4.97 113.62 108.33 1a67 n SER 49 Ca -0.30 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.15 1a67 n SER 49 Cb 1.09 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.45 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 -1.08 0.06 -1.46 0.00 -1.26 -2.98 121.76 113.04 1a67 s ALA 50 Ca 0.00 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.47 1a67 s ALA 50 Cb 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1a67 s ALA 50 CO 0.00 -0.72 -0.20 0.15 0.00 0.00 0.00 175.76 174.99 1a67 s LYS 51 N 2.54 1.25 -0.03 0.00 1.02 -0.68 -2.61 119.74 121.22 1a67 s LYS 51 Ca -0.02 -0.96 0.07 0.00 0.02 0.00 0.00 55.97 55.08 1a67 s LYS 51 Cb -0.12 -1.38 -0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1a67 s LYS 51 CO -0.12 0.34 -0.24 -0.98 -0.92 0.00 0.00 175.35 173.43 1a67 s ARG 52 N -1.34 2.15 0.45 1.68 1.70 -0.50 -0.66 118.95 122.42 1a67 s ARG 52 Ca 0.06 -0.85 0.05 0.00 -0.47 0.00 0.00 55.73 54.52 1a67 s ARG 52 Cb -0.09 -1.95 -0.05 0.00 -0.57 0.00 0.00 34.95 32.28 1a67 s ARG 52 CO 0.02 0.44 0.02 -0.65 -1.08 0.00 0.00 175.30 174.06 1a67 s GLN 53 N -0.36 2.06 0.04 3.89 -0.21 -0.39 -2.64 119.66 122.05 1a67 s GLN 53 Ca 0.03 -2.20 0.03 0.00 0.02 0.00 0.00 55.36 53.24 1a67 s GLN 53 Cb -0.11 -1.62 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 1a67 s GLN 53 CO 0.01 -0.17 -0.09 -1.17 -2.12 0.00 0.00 175.29 171.75 1a67 s LEU 54 N -3.78 2.22 -0.46 2.90 2.96 -1.26 -1.19 118.68 120.07 1a67 s LEU 54 Ca 0.25 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1a67 s LEU 54 Cb 0.07 -0.29 0.25 0.00 0.50 0.00 0.00 46.19 46.71 1a67 s LEU 54 CO 0.13 -0.12 0.95 1.33 -1.32 0.00 0.00 176.35 177.32 1a67 n VAL 55 N 1.65 0.00 0.00 1.68 0.24 -1.26 -4.89 118.33 115.76 1a67 n VAL 55 Ca -0.21 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.74 1a67 n VAL 55 Cb 0.55 1.43 0.00 0.00 -1.47 0.00 0.00 33.84 34.35 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 1.63 0.00 0.00 -1.34 2.88 -1.26 -4.86 113.62 110.67 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 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 5.70 3.57 0.46 0.00 -1.26 -5.07 105.19 108.59 1a67 n GLY 57 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.20 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 1.00 3.14 -0.03 -0.61 1.01 -0.65 -4.39 121.20 120.66 1a67 s ILE 58 Ca 0.00 -1.85 -0.02 0.00 0.00 0.00 0.00 60.65 58.77 1a67 s ILE 58 Cb 0.00 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.88 1a67 s ILE 58 CO 0.00 -0.23 0.08 -0.75 0.00 0.00 0.00 174.94 174.04 1a67 s LYS 59 N -3.17 0.07 0.07 2.79 2.20 -0.33 -0.55 119.74 120.82 1a67 s LYS 59 Ca 0.27 0.14 0.02 0.00 -0.36 0.00 0.00 55.97 56.04 1a67 s LYS 59 Cb -0.07 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1a67 s LYS 59 CO 0.16 -0.04 0.12 0.71 -0.36 0.00 0.00 175.35 175.94 1a67 s TYR 60 N 0.27 3.30 -0.26 4.03 2.02 -0.18 -1.27 117.35 125.26 1a67 s TYR 60 Ca -0.02 0.14 -0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1a67 s TYR 60 Cb -0.03 -1.67 0.10 0.00 -0.40 0.00 0.00 41.96 39.96 1a67 s TYR 60 CO -0.01 0.55 0.18 0.96 -1.57 0.00 0.00 175.55 175.65 1a67 s ILE 61 N -1.42 -0.18 0.19 2.71 -4.36 0.17 -0.80 121.20 117.51 1a67 s ILE 61 Ca 0.31 -0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.23 1a67 s ILE 61 Cb -0.12 -0.89 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 1a67 s ILE 61 CO 0.24 -0.54 0.10 -1.48 0.24 0.00 0.00 174.94 173.49 1a67 s LEU 62 N 2.20 3.62 -0.33 0.37 0.05 -0.22 -1.69 118.68 122.68 1a67 s LEU 62 Ca 0.08 -0.26 0.04 0.00 0.05 0.00 0.00 54.13 54.03 1a67 s LEU 62 Cb -0.15 -2.22 0.09 0.00 -2.05 0.00 0.00 46.19 41.86 1a67 s LEU 62 CO -0.29 0.05 0.03 -1.58 -0.55 0.00 0.00 176.35 174.01 1a67 s GLN 63 N -3.23 1.55 0.20 1.48 0.74 -1.16 -0.48 119.66 118.75 1a67 s GLN 63 Ca 0.30 -1.74 -0.03 0.00 0.05 0.00 0.00 55.36 53.94 1a67 s GLN 63 Cb -0.09 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.88 1a67 s GLN 63 CO 0.22 -0.88 0.42 0.14 -0.55 0.00 0.00 175.29 174.64 1a67 s VAL 64 N 0.98 5.16 -0.84 1.34 -7.23 0.58 -0.60 120.40 119.78 1a67 s VAL 64 Ca 0.08 -0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1a67 s VAL 64 Cb -0.19 -3.70 0.21 0.00 0.56 0.00 0.00 36.38 33.25 1a67 s VAL 64 CO -0.08 -0.15 0.71 -0.70 -0.31 0.00 0.00 175.10 174.57 1a67 s GLU 65 N -3.19 3.13 -0.05 4.82 2.12 -1.15 -0.91 118.70 123.48 1a67 s GLU 65 Ca 0.40 -3.13 -0.20 0.00 0.36 0.00 0.00 54.97 52.41 1a67 s GLU 65 Cb -0.11 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 1a67 s GLU 65 CO 0.28 -1.25 0.56 0.96 -0.54 0.00 0.00 175.26 175.28 1a67 s ILE 66 N -1.09 5.03 0.46 -3.70 -4.36 0.41 -3.29 121.20 114.66 1a67 s ILE 66 Ca 0.25 1.16 0.08 0.00 -0.26 0.00 0.00 60.65 61.88 1a67 s ILE 66 Cb -0.10 -3.90 0.01 0.00 1.25 0.00 0.00 42.46 39.73 1a67 s ILE 66 CO -0.11 0.37 0.50 -0.83 0.24 0.00 0.00 174.94 175.11 1a67 s GLY 67 N 0.20 2.05 0.04 6.27 0.00 0.55 0.14 107.32 116.57 1a67 s GLY 67 Ca 0.30 -1.79 0.05 0.00 0.00 0.00 0.00 44.72 43.27 1a67 s GLY 67 CO 0.15 -1.67 -0.08 0.50 0.00 0.00 0.00 173.10 172.00 1a67 s ARG 68 N -4.30 2.41 0.43 2.90 0.52 -1.24 -1.24 118.95 118.42 1a67 s ARG 68 Ca 0.51 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1a67 s ARG 68 Cb -0.05 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 1a67 s ARG 68 CO 0.30 0.57 0.11 -2.37 0.02 0.00 0.00 175.30 173.93 1a67 n THR 69 N 1.27 0.00 -1.80 0.02 5.66 -1.00 -3.92 114.28 114.51 1a67 n THR 69 Ca -0.15 -2.36 -0.36 0.00 -3.05 0.00 0.00 64.05 58.14 1a67 n THR 69 Cb 0.52 0.75 0.05 0.00 -1.55 0.00 0.00 70.33 70.10 1a67 n THR 69 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1a67 n THR 70 N -0.99 3.40 -3.66 1.09 5.66 -0.62 0.42 114.28 119.57 1a67 n THR 70 Ca -0.10 -3.93 -0.15 0.00 -3.05 0.00 0.00 64.05 56.82 1a67 n THR 70 Cb 0.61 -1.21 -0.08 0.00 -1.55 0.00 0.00 70.33 68.11 1a67 n THR 70 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1a67 n PRO 72 N 1.21 3.33 -2.37 0.00 -0.04 -1.19 -3.89 135.00 132.04 1a67 n PRO 72 Ca -0.20 -3.23 -0.05 0.00 -0.04 0.00 0.00 63.50 59.97 1a67 n PRO 72 Cb 0.56 -3.08 -0.01 0.00 -0.04 0.00 0.00 33.50 30.93 1a67 n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a67 n LYS 73 N 4.97 -2.32 -2.09 0.54 4.76 -1.26 -4.73 118.16 118.03 1a67 n LYS 73 Ca 0.44 0.02 -0.35 0.00 -2.87 0.00 0.00 58.31 55.55 1a67 n LYS 73 Cb 0.38 -3.62 0.03 0.00 -1.84 0.00 0.00 35.03 29.98 1a67 n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1a67 n SER 74 N -1.29 6.47 -3.00 4.39 2.88 -1.26 -5.03 113.62 116.77 1a67 n SER 74 Ca 0.01 -3.79 -0.01 0.00 -1.33 0.00 0.00 58.87 53.76 1a67 n SER 74 Cb 0.39 -0.83 0.01 0.00 -0.75 0.00 0.00 64.21 63.03 1a67 n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a67 n SER 75 N -0.54 -2.00 0.00 -3.46 7.64 -1.26 -4.53 113.62 109.46 1a67 n SER 75 Ca 0.49 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1a67 n SER 75 Cb 0.43 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.11 0.35 3.70 0.23 0.00 -1.26 -4.71 105.19 103.39 1a67 n GLY 76 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1a67 n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1a67 s ASP 77 N -4.00 4.73 -1.60 1.61 1.47 -1.26 -4.41 116.67 113.21 1a67 s ASP 77 Ca 0.00 -0.62 -0.18 0.00 1.18 0.00 0.00 52.55 52.93 1a67 s ASP 77 Cb 0.00 -0.89 0.18 0.00 -0.34 0.00 0.00 42.92 41.86 1a67 s ASP 77 CO 0.00 -0.09 0.44 0.18 0.68 0.00 0.00 175.17 176.39 1a67 n LEU 78 N -1.01 -0.74 0.00 2.11 4.77 -1.26 -4.47 117.00 116.41 1a67 n LEU 78 Ca -0.06 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1a67 n LEU 78 Cb 0.59 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1a67 n LEU 78 CO 0.41 0.13 0.00 0.00 -1.33 0.00 0.00 177.39 176.61 1a67 n GLN 79 N -3.67 0.00 0.00 3.23 6.02 -1.26 -5.13 117.38 116.58 1a67 n GLN 79 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1a67 n GLN 79 Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1a67 n SER 80 N -0.06 0.00 0.00 1.08 3.41 -1.26 -4.96 113.62 111.83 1a67 n SER 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a67 n SER 80 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.93 1.31 0.64 0.00 8.01 -1.26 -4.98 118.70 120.49 1a67 s GLU 82 Ca 0.00 -1.24 0.22 0.00 0.01 0.00 0.00 54.97 53.96 1a67 s GLU 82 Cb 0.00 0.40 1.12 0.00 -4.31 0.00 0.00 34.13 31.34 1a67 s GLU 82 CO 0.00 -0.50 1.62 0.74 0.01 0.00 0.00 175.26 177.13 1a67 h PHE 83 N 2.43 0.00 0.00 1.61 -1.00 -1.92 -1.65 116.94 116.42 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 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1a67 h PHE 83 CO 0.39 0.00 0.00 1.58 -1.61 0.00 0.00 178.31 178.67 1a67 n HIS 84 N -2.98 0.00 0.13 -0.55 -0.00 -1.26 -3.44 115.22 107.12 1a67 n HIS 84 Ca 0.03 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.27 1a67 n HIS 84 Cb 0.71 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.61 1a67 n HIS 84 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1a67 h ASP 85 N 0.00 0.00 -5.02 0.26 2.03 -1.95 -3.48 116.42 108.26 1a67 h ASP 85 Ca 0.00 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.32 1a67 h ASP 85 Cb 0.00 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.42 1a67 h ASP 85 CO 0.00 0.32 0.19 -1.61 -1.03 0.00 0.00 179.24 177.11 1a67 s GLU 86 N -3.07 1.56 0.06 4.15 2.02 -1.26 -5.05 118.70 117.11 1a67 s GLU 86 Ca 0.03 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.22 1a67 s GLU 86 Cb 0.07 0.59 -0.25 0.00 0.10 0.00 0.00 34.13 34.64 1a67 s GLU 86 CO 0.75 -0.70 1.08 -1.00 0.02 0.00 0.00 175.26 175.41 1a67 h PRO 87 N 2.03 0.14 0.00 0.39 0.13 -1.92 -3.27 132.00 129.51 1a67 h PRO 87 Ca -0.25 -0.25 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1a67 h PRO 87 Cb 1.27 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1a67 h PRO 87 CO 0.30 1.05 -0.14 1.05 -0.23 0.00 0.00 178.00 180.04 1a67 h GLU 88 N 0.04 0.00 -0.64 0.86 -0.00 -2.03 -1.22 114.58 111.59 1a67 h GLU 88 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.23 1a67 h GLU 88 Cb 1.91 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.66 1a67 h GLU 88 CO 0.16 0.14 0.00 -1.33 -0.00 0.00 0.00 179.01 177.97 1a67 n MET 89 N -3.72 4.10 -3.15 1.06 2.81 -1.23 -4.78 117.12 112.21 1a67 n MET 89 Ca -0.02 -2.73 0.04 0.00 -1.81 0.00 0.00 57.70 53.18 1a67 n MET 89 Cb 0.25 -2.05 -0.01 0.00 -0.71 0.00 0.00 33.22 30.70 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 -2.28 -2.75 -0.37 3.04 0.00 -0.46 -4.96 121.76 113.98 1a67 s ALA 90 Ca 0.48 1.57 -0.01 0.00 0.00 0.00 0.00 51.96 54.01 1a67 s ALA 90 Cb 0.34 -2.37 0.28 0.00 0.00 0.00 0.00 23.12 21.38 1a67 s ALA 90 CO 0.18 -1.50 1.96 1.63 0.00 0.00 0.00 175.76 178.02 1a67 n LYS 91 N 5.42 1.95 0.00 0.00 5.02 -1.26 -4.68 118.16 124.62 1a67 n LYS 91 Ca -0.01 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1a67 n LYS 91 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1a67 n TYR 92 N 0.01 -1.36 -3.75 2.13 4.02 -1.26 -4.85 117.16 112.09 1a67 n TYR 92 Ca 0.37 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.13 1a67 n TYR 92 Cb 0.68 0.19 -0.13 0.00 -0.02 0.00 0.00 39.34 40.06 1a67 n TYR 92 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1a67 s THR 93 N 0.00 -0.02 0.15 -0.72 2.01 0.38 -4.78 115.64 112.65 1a67 s THR 93 Ca 0.00 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.03 1a67 s THR 93 Cb 0.00 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 72.10 1a67 s THR 93 CO 0.00 0.04 0.39 0.28 -0.69 0.00 0.00 174.62 174.64 1a67 s THR 94 N 0.79 5.14 0.17 -0.82 -1.32 -1.26 0.15 115.64 118.50 1a67 s THR 94 Ca -0.05 0.08 -0.18 0.00 -1.21 0.00 0.00 61.69 60.33 1a67 s THR 94 Cb -0.07 -3.62 0.03 0.00 -1.51 0.00 0.00 72.50 67.33 1a67 s THR 94 CO -0.05 0.03 0.50 0.00 -2.21 0.00 0.00 174.62 172.90 1a67 s THR 96 N -3.84 0.02 0.19 0.00 2.01 0.14 -0.31 115.64 113.86 1a67 s THR 96 Ca 0.07 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 1a67 s THR 96 Cb -0.00 -0.22 -0.08 0.00 0.01 0.00 0.00 72.50 72.21 1a67 s THR 96 CO -0.06 0.17 0.72 -0.36 -0.69 0.00 0.00 174.62 174.40 1a67 s PHE 97 N 1.78 3.72 -0.29 4.92 0.08 0.37 -0.18 117.98 128.38 1a67 s PHE 97 Ca 0.00 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.49 1a67 s PHE 97 Cb -0.12 -2.64 0.09 0.00 -0.57 0.00 0.00 43.02 39.78 1a67 s PHE 97 CO -0.03 0.40 0.05 0.08 -0.10 0.00 0.00 175.22 175.62 1a67 s VAL 98 N -1.40 1.33 0.36 -0.44 1.01 -0.94 -1.05 120.40 119.28 1a67 s VAL 98 Ca 0.40 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1a67 s VAL 98 Cb -0.18 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1a67 s VAL 98 CO 0.22 -0.48 0.53 -0.69 0.00 0.00 0.00 175.10 174.68 1a67 s VAL 99 N 1.42 4.31 0.12 2.92 1.01 0.02 -1.88 120.40 128.32 1a67 s VAL 99 Ca 0.05 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1a67 s VAL 99 Cb -0.18 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1a67 s VAL 99 CO -0.15 -0.28 -0.21 -0.47 0.00 0.00 0.00 175.10 173.99 1a67 s TYR 100 N -2.29 1.83 -0.30 5.22 5.04 -0.58 -1.01 117.35 125.26 1a67 s TYR 100 Ca 0.44 -0.42 0.05 0.00 -2.44 0.00 0.00 57.07 54.69 1a67 s TYR 100 Cb -0.10 -0.98 0.18 0.00 0.35 0.00 0.00 41.96 41.41 1a67 s TYR 100 CO 0.34 0.24 0.52 0.45 -1.34 0.00 0.00 175.55 175.76 1a67 s SER 101 N -2.06 -0.86 -0.36 4.32 0.15 0.29 -1.47 113.70 113.71 1a67 s SER 101 Ca 0.09 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1a67 s SER 101 Cb -0.09 1.67 0.19 0.00 -1.71 0.00 0.00 66.02 66.08 1a67 s SER 101 CO 0.05 -0.31 0.65 -0.63 1.20 0.00 0.00 173.24 174.20 1a67 s ILE 102 N 2.65 -0.93 -0.98 6.45 1.01 -0.64 -1.63 121.20 127.12 1a67 s ILE 102 Ca 0.10 0.00 0.27 0.00 0.00 0.00 0.00 60.65 61.02 1a67 s ILE 102 Cb -0.11 -0.36 0.13 0.00 0.01 0.00 0.00 42.46 42.13 1a67 s ILE 102 CO -0.26 0.00 1.67 -0.81 0.00 0.00 0.00 174.94 175.54 1a67 n PRO 103 N 4.75 0.02 0.07 2.79 -0.04 -1.26 0.91 135.00 142.24 1a67 n PRO 103 Ca 0.09 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1a67 n PRO 103 Cb 0.56 -1.51 0.43 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.54 0.47 -2.01 0.54 -0.00 -1.26 -3.95 117.44 109.69 1a67 n TRP 104 Ca 0.06 0.18 -0.02 0.00 -0.00 0.00 0.00 57.50 57.72 1a67 n TRP 104 Cb 0.34 -0.78 -0.02 0.00 -0.00 0.00 0.00 31.31 30.85 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 -1.92 -0.29 0.00 5.67 4.77 -1.25 -5.05 117.00 118.92 1a67 n LEU 105 Ca 0.03 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1a67 n LEU 105 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1a67 n LEU 105 CO 0.19 1.11 0.00 -3.20 -1.33 0.00 0.00 177.39 174.16 1a67 n ASN 106 N 0.01 0.00 0.00 -1.43 5.15 -1.19 -5.14 115.26 112.67 1a67 n ASN 106 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1a67 n ASN 106 Cb 0.59 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 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 -2.11 -3.87 1.20 7.27 0.26 -4.79 117.38 115.34 1a67 n GLN 107 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 1a67 n GLN 107 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 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 -2.79 5.34 0.10 1.69 2.07 -1.26 -1.62 121.20 124.71 1a67 s ILE 108 Ca 0.00 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 58.87 1a67 s ILE 108 Cb 0.00 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.94 1a67 s ILE 108 CO 0.00 0.07 0.12 0.29 -1.91 0.00 0.00 174.94 173.52 1a67 n LYS 109 N 0.08 0.18 -3.40 3.50 5.02 -0.54 -4.92 118.16 118.08 1a67 n LYS 109 Ca -0.05 -0.81 -0.26 0.00 -2.02 0.00 0.00 58.31 55.17 1a67 n LYS 109 Cb 0.52 0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 36.17 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1a67 s LEU 110 N 0.00 1.05 0.02 -0.35 1.98 -1.26 -1.53 118.68 118.58 1a67 s LEU 110 Ca 0.09 -2.59 -0.04 0.00 -2.89 0.00 0.00 54.13 48.70 1a67 s LEU 110 Cb -0.00 -0.28 -0.01 0.00 0.66 0.00 0.00 46.19 46.56 1a67 s LEU 110 CO 0.06 -0.23 1.07 0.25 -1.89 0.00 0.00 176.35 175.61 1a67 h LEU 111 N 6.25 -0.26 0.00 -0.68 5.85 -1.69 -3.48 115.31 121.31 1a67 h LEU 111 Ca 0.17 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1a67 h LEU 111 Cb 0.95 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1a67 h LEU 111 CO 0.30 -0.03 0.00 1.21 -0.34 0.00 0.00 178.44 179.58 1a67 n GLU 112 N -3.24 -0.75 -3.22 1.25 2.13 -1.22 -5.03 120.64 110.57 1a67 n GLU 112 Ca 0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 1a67 n GLU 112 Cb 0.03 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.69 1a67 n GLU 112 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1a67 s SER 113 N 0.00 6.19 -0.69 4.31 0.15 -1.26 -2.21 113.70 120.18 1a67 s SER 113 Ca 0.00 -1.42 -0.27 0.00 0.70 0.00 0.00 55.95 54.97 1a67 s SER 113 Cb 0.00 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1a67 s SER 113 CO 0.00 -0.93 1.44 -0.54 1.20 0.00 0.00 173.24 174.42 1a67 s LYS 114 N 2.21 3.05 0.22 5.44 -0.14 0.74 -4.74 119.74 126.52 1a67 s LYS 114 Ca 0.09 0.04 0.05 0.00 -1.36 0.00 0.00 55.97 54.78 1a67 s LYS 114 Cb -0.25 -4.23 -0.05 0.00 -1.68 0.00 0.00 37.83 31.62 1a67 s LYS 114 CO 0.06 -2.29 -0.06 0.00 -0.76 0.00 0.00 175.35 172.30