#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 -2.00 0.81 4.61 0.00 -1.26 -5.17 121.76 118.75 1a67 s ALA 10 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1a67 s ALA 10 Cb 0.00 0.59 0.11 0.00 0.00 0.00 0.00 23.12 23.83 1a67 s ALA 10 CO 0.00 -1.07 1.15 -1.25 0.00 0.00 0.00 175.76 174.59 1a67 s PRO 11 N -2.52 1.61 0.22 0.00 0.04 -1.26 -4.82 135.00 128.27 1a67 s PRO 11 Ca 0.18 -0.28 -0.17 0.00 0.04 0.00 0.00 61.00 60.77 1a67 s PRO 11 Cb 0.01 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1a67 s PRO 11 CO -0.00 -1.72 0.54 0.14 0.04 0.00 0.00 177.00 176.00 1a67 s VAL 12 N -3.53 0.02 0.65 -0.36 -7.23 -1.02 -5.03 120.40 103.89 1a67 s VAL 12 Ca 0.65 -0.99 -0.12 0.00 -1.81 0.00 0.00 61.98 59.71 1a67 s VAL 12 Cb -0.08 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1a67 s VAL 12 CO 0.48 -0.07 1.04 -2.16 -0.31 0.00 0.00 175.10 174.09 1a67 s PRO 13 N -3.92 3.28 -0.11 4.82 0.04 -1.26 -0.82 135.00 137.03 1a67 s PRO 13 Ca 0.13 0.90 -0.06 0.00 0.04 0.00 0.00 61.00 62.01 1a67 s PRO 13 Cb -0.02 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1a67 s PRO 13 CO 0.02 -0.83 0.10 0.08 0.04 0.00 0.00 177.00 176.42 1a67 s VAL 14 N -3.03 5.17 -0.02 -0.36 1.01 -1.25 -4.55 120.40 117.38 1a67 s VAL 14 Ca 0.57 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 1a67 s VAL 14 Cb -0.13 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1a67 s VAL 14 CO 0.52 0.61 0.46 1.51 0.00 0.00 0.00 175.10 178.20 1a67 s ASP 15 N -0.94 6.82 -0.21 3.32 1.47 -1.26 -4.95 116.67 120.92 1a67 s ASP 15 Ca 0.14 0.97 0.04 0.00 1.18 0.00 0.00 52.55 54.88 1a67 s ASP 15 Cb -0.12 -2.28 0.38 0.00 -0.34 0.00 0.00 42.92 40.56 1a67 s ASP 15 CO 0.03 0.21 1.40 1.21 0.68 0.00 0.00 175.17 178.70 1a67 n GLU 16 N 2.40 2.08 0.02 2.11 4.07 -1.26 -3.91 120.64 126.14 1a67 n GLU 16 Ca -0.11 -1.63 0.10 0.00 -0.06 0.00 0.00 57.16 55.46 1a67 n GLU 16 Cb 0.52 -1.71 -0.12 0.00 -0.06 0.00 0.00 31.44 30.07 1a67 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1a67 n ASN 17 N -0.17 0.26 -4.67 4.31 3.02 -1.26 -4.87 115.26 111.88 1a67 n ASN 17 Ca 0.27 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 1a67 n ASN 17 Cb 1.02 1.48 -0.03 0.00 -0.61 0.00 0.00 39.78 41.64 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 -4.82 7.04 0.00 6.41 2.15 -1.25 -4.91 116.67 121.28 1a67 s ASP 18 Ca -0.06 1.28 0.29 0.00 0.43 0.00 0.00 52.55 54.49 1a67 s ASP 18 Cb 0.12 -2.49 1.31 0.00 -0.30 0.00 0.00 42.92 41.56 1a67 s ASP 18 CO 0.87 -0.47 1.89 1.21 -0.17 0.00 0.00 175.17 178.50 1a67 n GLU 19 N 5.46 1.25 0.21 4.34 4.07 -1.26 -3.73 120.64 130.98 1a67 n GLU 19 Ca 0.07 -0.53 0.14 0.00 -0.06 0.00 0.00 57.16 56.78 1a67 n GLU 19 Cb 0.48 -1.49 0.48 0.00 -0.06 0.00 0.00 31.44 30.85 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 4.92 0.00 2.00 8.31 0.00 -2.01 -2.85 103.07 113.45 1a67 h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a67 h GLY 20 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 176.44 1a67 n LEU 21 N -2.81 0.58 0.09 3.11 7.94 -1.24 -3.00 117.00 121.66 1a67 n LEU 21 Ca 0.02 0.61 0.06 0.00 -1.11 0.00 0.00 56.01 55.59 1a67 n LEU 21 Cb 0.36 -0.48 0.31 0.00 0.53 0.00 0.00 43.42 44.14 1a67 n LEU 21 CO 0.28 -0.36 0.68 1.67 -1.11 0.00 0.00 177.39 178.54 1a67 n GLN 22 N -2.10 0.07 -0.08 1.96 7.27 -1.07 -2.14 117.38 121.29 1a67 n GLN 22 Ca 0.04 0.57 -0.15 0.00 0.07 0.00 0.00 57.00 57.53 1a67 n GLN 22 Cb 0.29 -1.74 -0.10 0.00 2.41 0.00 0.00 30.24 31.10 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 -1.79 -3.29 114.38 115.42 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 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1a67 h ARG 23 CO 0.00 0.83 0.30 0.00 -1.51 0.00 0.00 179.97 179.59 1a67 h ALA 24 N -0.37 1.28 -0.35 2.80 0.00 -1.65 0.72 119.26 121.70 1a67 h ALA 24 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1a67 h ALA 24 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1a67 h ALA 24 CO -0.09 -0.28 -0.22 1.25 0.00 0.00 0.00 179.25 179.91 1a67 h LEU 25 N 0.00 0.80 -1.07 0.00 7.12 -1.60 -2.35 115.31 118.21 1a67 h LEU 25 Ca 0.00 -0.43 0.00 0.00 0.13 0.00 0.00 57.88 57.58 1a67 h LEU 25 Cb 0.60 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1a67 h LEU 25 CO 0.00 1.05 0.00 0.00 -0.13 0.00 0.00 178.44 179.36 1a67 n GLN 26 N -4.27 0.14 -0.02 1.25 1.13 0.24 -2.15 117.38 113.70 1a67 n GLN 26 Ca -0.02 0.56 -0.16 0.00 -1.94 0.00 0.00 57.00 55.44 1a67 n GLN 26 Cb 0.44 -1.88 -0.12 0.00 0.11 0.00 0.00 30.24 28.78 1a67 n GLN 26 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1a67 h PHE 27 N 0.00 0.24 -0.58 1.08 3.04 -1.46 -3.18 116.94 116.08 1a67 h PHE 27 Ca 0.00 -0.15 -0.04 0.00 3.98 0.00 0.00 57.97 61.77 1a67 h PHE 27 Cb 0.11 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 1a67 h PHE 27 CO 0.00 1.01 0.21 0.00 -2.02 0.00 0.00 178.31 177.52 1a67 h ALA 28 N 0.17 1.29 0.00 2.41 0.00 -1.41 -1.22 119.26 120.50 1a67 h ALA 28 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1a67 h ALA 28 Cb 1.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1a67 h ALA 28 CO 0.05 0.52 -0.08 0.52 0.00 0.00 0.00 179.25 180.26 1a67 h MET 29 N 0.83 0.00 0.00 0.00 2.86 -1.58 -1.94 114.93 115.11 1a67 h MET 29 Ca 0.20 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1a67 h MET 29 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1a67 h MET 29 CO -0.02 0.08 -0.44 0.00 1.06 0.00 0.00 176.91 177.60 1a67 h ALA 30 N 1.92 0.06 -0.99 6.32 0.00 -1.23 -2.60 119.26 122.74 1a67 h ALA 30 Ca -0.00 -0.54 0.25 0.00 0.00 0.00 0.00 54.91 54.61 1a67 h ALA 30 Cb 0.24 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1a67 h ALA 30 CO 0.01 0.30 0.65 1.05 0.00 0.00 0.00 179.25 181.27 1a67 h GLU 31 N -1.00 0.35 -0.22 0.00 4.11 -1.33 0.61 114.58 117.10 1a67 h GLU 31 Ca -0.09 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.16 1a67 h GLU 31 Cb 0.68 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1a67 h GLU 31 CO -0.05 0.23 -0.53 -0.92 0.07 0.00 0.00 179.01 177.81 1a67 h TYR 32 N 0.36 0.82 -0.68 2.06 3.20 -1.45 -1.64 116.97 119.63 1a67 h TYR 32 Ca 0.54 -0.28 0.05 0.00 3.14 0.00 0.00 58.73 62.18 1a67 h TYR 32 Cb 1.43 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 39.51 1a67 h TYR 32 CO -0.00 1.04 0.45 -2.95 -1.64 0.00 0.00 178.16 175.06 1a67 h ASN 33 N 0.51 0.65 0.65 -2.11 -1.07 0.62 -0.77 115.58 114.06 1a67 h ASN 33 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1a67 h ASN 33 Cb 1.09 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.20 1a67 h ASN 33 CO 0.11 0.44 -0.69 -1.14 0.07 0.00 0.00 177.43 176.21 1a67 n ARG 34 N -4.47 0.21 0.04 4.14 0.63 -0.90 -3.79 116.66 112.51 1a67 n ARG 34 Ca 0.09 0.04 -0.06 0.00 -0.92 0.00 0.00 57.85 57.00 1a67 n ARG 34 Cb 0.19 -1.61 -0.11 0.00 0.45 0.00 0.00 32.46 31.38 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 2.66 0.53 -0.01 5.13 0.00 -0.18 -3.25 119.26 124.14 1a67 h ALA 35 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1a67 h ALA 35 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1a67 h ALA 35 CO 0.00 1.26 -0.03 -1.13 0.00 0.00 0.00 179.25 179.35 1a67 n SER 36 N -3.21 1.39 0.00 0.00 3.41 -0.65 -4.92 113.62 109.64 1a67 n SER 36 Ca -0.05 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 1a67 n SER 36 Cb 0.94 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.04 0.00 -3.30 4.04 5.15 -1.23 -4.35 115.26 115.61 1a67 n ASN 37 Ca 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1a67 n ASN 37 Cb 0.35 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.60 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 1.03 -0.13 -1.67 1.20 5.68 -1.26 -4.93 116.55 116.47 1a67 n ASP 38 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.21 1a67 n ASP 38 Cb 0.00 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 1a67 n ASP 38 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1a67 n LYS 39 N -0.13 2.25 -3.60 0.11 3.00 -1.26 -5.00 118.16 113.54 1a67 n LYS 39 Ca 0.00 -3.54 -0.04 0.00 -0.00 0.00 0.00 58.31 54.73 1a67 n LYS 39 Cb 0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.32 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 -3.09 -0.13 0.00 5.64 2.02 -1.26 -3.26 117.35 117.27 1a67 s TYR 40 Ca 0.41 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1a67 s TYR 40 Cb 0.38 0.51 0.00 0.00 -0.40 0.00 0.00 41.96 42.45 1a67 s TYR 40 CO -0.03 -0.19 0.00 -1.13 -1.57 0.00 0.00 175.55 172.62 1a67 n SER 41 N 0.02 0.00 -4.45 2.29 3.41 0.41 -4.95 113.62 110.35 1a67 n SER 41 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1a67 n SER 41 Cb 0.58 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 1a67 n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a67 s SER 42 N 0.49 3.70 -0.29 4.04 0.01 -1.26 -0.94 113.70 119.46 1a67 s SER 42 Ca 0.00 -0.52 -0.24 0.00 1.31 0.00 0.00 55.95 56.50 1a67 s SER 42 Cb 0.00 -0.51 0.15 0.00 0.21 0.00 0.00 66.02 65.86 1a67 s SER 42 CO 0.00 0.23 1.16 0.00 0.41 0.00 0.00 173.24 175.04 1a67 s ARG 43 N -1.68 0.35 0.68 12.44 1.70 -0.03 -3.53 118.95 128.89 1a67 s ARG 43 Ca 0.15 0.43 -0.11 0.00 -0.47 0.00 0.00 55.73 55.73 1a67 s ARG 43 Cb -0.10 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 1a67 s ARG 43 CO 0.06 -0.04 1.08 0.54 -1.08 0.00 0.00 175.30 175.86 1a67 s VAL 44 N 0.25 3.81 0.00 4.99 0.11 -1.26 -1.38 120.40 126.93 1a67 s VAL 44 Ca 0.03 0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1a67 s VAL 44 Cb -0.05 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1a67 s VAL 44 CO -0.10 -0.77 0.00 0.52 -3.33 0.00 0.00 175.10 171.42 1a67 n VAL 45 N -2.95 0.00 -4.11 2.04 0.31 -1.12 -4.79 118.33 107.72 1a67 n VAL 45 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 1a67 n VAL 45 Cb 0.56 -0.71 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 1a67 n VAL 45 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1a67 s ARG 46 N -0.44 1.89 0.05 5.55 0.52 -1.25 -5.05 118.95 120.22 1a67 s ARG 46 Ca 0.00 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.42 1a67 s ARG 46 Cb 0.00 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 35.86 1a67 s ARG 46 CO 0.00 -0.77 0.19 0.54 0.02 0.00 0.00 175.30 175.28 1a67 s VAL 47 N -3.11 5.29 -0.20 3.52 0.11 -1.26 -2.70 120.40 122.06 1a67 s VAL 47 Ca 0.32 -0.40 0.18 0.00 -2.93 0.00 0.00 61.98 59.14 1a67 s VAL 47 Cb -0.00 -3.56 -0.25 0.00 -1.53 0.00 0.00 36.38 31.04 1a67 s VAL 47 CO 0.21 0.16 0.08 -0.38 -3.33 0.00 0.00 175.10 171.84 1a67 n ILE 48 N 0.40 1.37 0.00 7.04 5.41 0.10 -4.93 119.36 128.75 1a67 n ILE 48 Ca -0.06 -0.85 0.00 0.00 1.00 0.00 0.00 62.75 62.83 1a67 n ILE 48 Cb 0.51 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 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 -2.74 0.00 -3.65 4.38 2.88 -1.25 -4.96 113.62 108.27 1a67 n SER 49 Ca -0.32 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.15 1a67 n SER 49 Cb 1.15 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.54 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 -1.81 0.02 -1.46 0.00 -1.26 -2.86 121.76 112.39 1a67 s ALA 50 Ca 0.00 2.29 0.04 0.00 0.00 0.00 0.00 51.96 54.29 1a67 s ALA 50 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1a67 s ALA 50 CO 0.00 -0.51 -0.13 0.15 0.00 0.00 0.00 175.76 175.27 1a67 s LYS 51 N 1.94 0.94 -0.08 0.00 1.02 -0.73 -3.81 119.74 119.03 1a67 s LYS 51 Ca -0.09 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.28 1a67 s LYS 51 Cb -0.07 -0.93 -0.03 0.00 -0.52 0.00 0.00 37.83 36.28 1a67 s LYS 51 CO -0.19 0.24 -0.07 -0.98 -0.92 0.00 0.00 175.35 173.43 1a67 s ARG 52 N -0.80 2.86 0.52 1.68 1.70 0.00 -0.95 118.95 123.96 1a67 s ARG 52 Ca 0.02 -0.56 0.04 0.00 -0.47 0.00 0.00 55.73 54.77 1a67 s ARG 52 Cb -0.07 -2.62 0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1a67 s ARG 52 CO 0.01 0.60 0.23 -1.14 -1.08 0.00 0.00 175.30 173.91 1a67 s GLN 53 N -0.63 2.23 -0.02 3.89 0.74 -0.28 -2.45 119.66 123.15 1a67 s GLN 53 Ca 0.09 -2.13 0.04 0.00 0.05 0.00 0.00 55.36 53.41 1a67 s GLN 53 Cb -0.12 -1.88 -0.01 0.00 1.10 0.00 0.00 33.01 32.11 1a67 s GLN 53 CO 0.02 -0.46 -0.14 -0.48 -0.55 0.00 0.00 175.29 173.68 1a67 s LEU 54 N -4.09 1.96 -0.46 3.68 2.34 -1.26 -0.70 118.68 120.15 1a67 s LEU 54 Ca 0.25 -0.26 0.07 0.00 0.06 0.00 0.00 54.13 54.24 1a67 s LEU 54 Cb -0.00 -0.74 0.27 0.00 -0.56 0.00 0.00 46.19 45.17 1a67 s LEU 54 CO 0.15 0.15 0.92 1.33 -1.06 0.00 0.00 176.35 177.84 1a67 n VAL 55 N 2.91 -0.07 0.00 1.48 0.24 -1.26 -4.91 118.33 116.72 1a67 n VAL 55 Ca -0.16 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 1a67 n VAL 55 Cb 0.55 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 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 1.14 0.00 0.00 -1.34 2.88 -1.26 -4.84 113.62 110.20 1a67 n SER 56 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 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 5.15 3.76 0.46 0.00 -1.26 -5.07 105.19 108.22 1a67 n GLY 57 Ca 0.00 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 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 1.78 3.71 0.03 -0.61 1.01 -0.57 -4.38 121.20 122.17 1a67 s ILE 58 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 59.06 1a67 s ILE 58 Cb 0.00 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1a67 s ILE 58 CO 0.00 -0.29 -0.06 -0.75 0.00 0.00 0.00 174.94 173.84 1a67 s LYS 59 N -3.82 0.43 -0.28 2.79 2.20 0.13 -1.49 119.74 119.69 1a67 s LYS 59 Ca 0.35 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 55.39 1a67 s LYS 59 Cb -0.06 -0.20 0.08 0.00 -1.51 0.00 0.00 37.83 36.13 1a67 s LYS 59 CO 0.23 0.04 -0.01 0.71 -0.36 0.00 0.00 175.35 175.96 1a67 s TYR 60 N -1.11 2.95 -0.41 4.03 1.51 -0.38 -1.12 117.35 122.81 1a67 s TYR 60 Ca -0.09 -2.29 -0.18 0.00 -1.01 0.00 0.00 57.07 53.50 1a67 s TYR 60 Cb -0.08 -2.11 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1a67 s TYR 60 CO -0.00 -0.87 0.51 0.96 -1.11 0.00 0.00 175.55 175.04 1a67 s ILE 61 N 1.20 5.00 0.22 2.71 -4.36 -0.13 -1.51 121.20 124.33 1a67 s ILE 61 Ca 0.01 -0.10 0.09 0.00 -0.26 0.00 0.00 60.65 60.39 1a67 s ILE 61 Cb -0.19 -4.07 -0.04 0.00 1.25 0.00 0.00 42.46 39.41 1a67 s ILE 61 CO -0.09 -0.43 -0.02 -1.48 0.24 0.00 0.00 174.94 173.15 1a67 s LEU 62 N 2.37 3.18 -0.42 0.37 0.05 -0.17 -1.77 118.68 122.30 1a67 s LEU 62 Ca 0.16 -0.55 0.04 0.00 0.05 0.00 0.00 54.13 53.83 1a67 s LEU 62 Cb -0.16 -1.78 0.11 0.00 -2.05 0.00 0.00 46.19 42.31 1a67 s LEU 62 CO 0.15 0.05 0.15 -1.10 -0.55 0.00 0.00 176.35 175.05 1a67 s GLN 63 N -3.24 1.62 0.32 1.48 -0.21 -1.14 -0.73 119.66 117.77 1a67 s GLN 63 Ca 0.29 -2.14 -0.05 0.00 0.02 0.00 0.00 55.36 53.47 1a67 s GLN 63 Cb -0.08 -3.12 -0.05 0.00 1.00 0.00 0.00 33.01 30.76 1a67 s GLN 63 CO 0.18 -1.03 0.59 0.14 -2.12 0.00 0.00 175.29 173.06 1a67 s VAL 64 N 0.42 5.00 -0.47 1.09 -7.23 0.10 -0.72 120.40 118.60 1a67 s VAL 64 Ca 0.14 0.06 0.01 0.00 -1.81 0.00 0.00 61.98 60.38 1a67 s VAL 64 Cb -0.22 -3.76 0.12 0.00 0.56 0.00 0.00 36.38 33.08 1a67 s VAL 64 CO -0.05 -0.41 0.22 -0.70 -0.31 0.00 0.00 175.10 173.85 1a67 s GLU 65 N -3.76 1.95 0.03 4.82 2.12 -1.10 -1.03 118.70 121.72 1a67 s GLU 65 Ca 0.44 -2.24 -0.04 0.00 0.36 0.00 0.00 54.97 53.49 1a67 s GLU 65 Cb -0.10 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 1a67 s GLU 65 CO 0.32 -1.06 0.25 0.96 -0.54 0.00 0.00 175.26 175.18 1a67 s ILE 66 N 0.36 5.34 0.40 -3.70 -0.00 0.54 -2.77 121.20 121.36 1a67 s ILE 66 Ca 0.14 -0.05 0.05 0.00 -0.00 0.00 0.00 60.65 60.79 1a67 s ILE 66 Cb -0.22 -3.58 -0.02 0.00 -0.00 0.00 0.00 42.46 38.64 1a67 s ILE 66 CO -0.04 0.27 0.20 -0.83 -0.00 0.00 0.00 174.94 174.54 1a67 s GLY 67 N -2.02 2.61 0.56 6.27 0.00 -0.48 0.78 107.32 115.05 1a67 s GLY 67 Ca 0.31 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1a67 s GLY 67 CO 0.20 -1.71 0.77 0.50 0.00 0.00 0.00 173.10 172.87 1a67 s ARG 68 N -3.56 2.40 0.00 2.90 0.52 -1.25 -0.85 118.95 119.11 1a67 s ARG 68 Ca 0.29 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1a67 s ARG 68 Cb 0.02 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1a67 s ARG 68 CO 0.20 -0.78 0.00 -2.37 0.02 0.00 0.00 175.30 172.37 1a67 n THR 69 N -2.30 0.00 -0.95 0.02 5.66 -0.12 -3.90 114.28 112.69 1a67 n THR 69 Ca 0.11 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.90 1a67 n THR 69 Cb 0.60 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.54 1a67 n THR 69 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1a67 n THR 70 N -0.03 2.93 -4.27 1.09 -2.24 -0.62 -0.45 114.28 110.69 1a67 n THR 70 Ca 0.00 -1.68 -0.19 0.00 -2.27 0.00 0.00 64.05 59.92 1a67 n THR 70 Cb 0.00 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 67.59 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 -2.88 3.53 6.05 0.00 0.04 -1.20 -3.85 135.00 136.69 1a67 s PRO 72 Ca 0.12 -1.18 0.00 0.00 0.04 0.00 0.00 61.00 59.99 1a67 s PRO 72 Cb -0.04 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1a67 s PRO 72 CO 0.04 -2.08 0.00 1.63 0.04 0.00 0.00 177.00 176.63 1a67 n LYS 73 N 8.31 0.00 0.00 4.56 5.02 -1.23 -4.13 118.16 130.68 1a67 n LYS 73 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1a67 n LYS 73 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 1a67 n LYS 73 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a67 n SER 74 N 1.95 0.00 -2.26 4.39 7.64 -1.26 -4.77 113.62 119.31 1a67 n SER 74 Ca 0.00 0.19 -0.04 0.00 1.01 0.00 0.00 58.87 60.03 1a67 n SER 74 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1a67 n SER 74 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1a67 n SER 75 N -0.35 0.04 0.00 6.43 3.41 -1.26 -5.04 113.62 116.85 1a67 n SER 75 Ca 0.00 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1a67 n SER 75 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1a67 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a67 n GLY 76 N 3.88 -0.55 0.00 5.00 0.00 -1.26 -4.10 105.19 108.16 1a67 n GLY 76 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1a67 n GLY 76 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a67 n ASP 77 N 0.00 1.04 -0.51 1.61 5.75 -1.26 -5.03 116.55 118.15 1a67 n ASP 77 Ca 0.00 -0.56 0.05 0.00 -0.01 0.00 0.00 54.79 54.27 1a67 n ASP 77 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1a67 n ASP 77 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1a67 n LEU 78 N 0.00 0.00 0.00 -2.12 4.77 -1.26 -4.95 117.00 113.44 1a67 n LEU 78 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1a67 n LEU 78 Cb 0.00 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 1a67 n LEU 78 CO 0.00 -0.92 0.00 0.00 -1.33 0.00 0.00 177.39 175.14 1a67 n GLN 79 N -1.49 0.00 0.00 3.23 1.13 -1.26 -4.96 117.38 114.02 1a67 n GLN 79 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1a67 n GLN 79 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.50 1a67 n GLN 79 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1a67 n SER 80 N 0.00 0.00 -0.94 1.08 3.41 -1.26 -4.84 113.62 111.06 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 n GLU 82 N -2.18 0.00 -0.96 0.00 1.02 -1.26 -4.96 120.64 112.29 1a67 n GLU 82 Ca -0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1a67 n GLU 82 Cb 0.29 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.63 1a67 n GLU 82 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1a67 n PHE 83 N -1.08 0.46 -2.18 -0.32 3.01 -1.25 -1.58 117.46 114.51 1a67 n PHE 83 Ca 0.00 -1.51 -0.02 0.00 1.01 0.00 0.00 57.45 56.93 1a67 n PHE 83 Cb 0.00 -1.23 0.00 0.00 -0.01 0.00 0.00 39.48 38.24 1a67 n PHE 83 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1a67 n HIS 84 N 1.74 -2.03 -2.18 1.38 -0.00 -1.26 -4.65 115.22 108.22 1a67 n HIS 84 Ca 0.33 0.86 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 1a67 n HIS 84 Cb 0.72 -2.87 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 1a67 n HIS 84 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a67 n ASP 85 N 0.02 0.00 -3.13 0.26 2.03 -1.26 -4.38 116.55 110.09 1a67 n ASP 85 Ca 0.03 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.12 1a67 n ASP 85 Cb 0.11 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.47 1a67 n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1a67 n GLU 86 N 8.07 1.67 -1.05 -0.67 0.00 -1.26 -4.93 120.64 122.46 1a67 n GLU 86 Ca 0.00 -3.85 -0.15 0.00 0.00 0.00 0.00 57.16 53.16 1a67 n GLU 86 Cb 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 31.44 29.45 1a67 n GLU 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1a67 n PRO 87 N 0.25 2.18 0.25 3.44 -0.04 -1.26 -4.66 135.00 135.16 1a67 n PRO 87 Ca 0.27 -1.18 0.14 0.00 -0.04 0.00 0.00 63.50 62.69 1a67 n PRO 87 Cb 0.56 -2.08 0.62 0.00 -0.04 0.00 0.00 33.50 32.56 1a67 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1a67 h GLU 88 N 3.18 0.00 -0.92 0.54 5.08 -1.96 -0.11 114.58 120.40 1a67 h GLU 88 Ca 0.26 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.23 1a67 h GLU 88 Cb 1.37 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.21 1a67 h GLU 88 CO 0.40 0.00 -1.05 0.00 -1.00 0.00 0.00 179.01 177.36 1a67 n MET 89 N -2.99 1.99 -3.62 2.33 0.00 -1.26 -5.07 117.12 108.49 1a67 n MET 89 Ca 0.02 -3.65 -0.05 0.00 0.00 0.00 0.00 57.70 54.02 1a67 n MET 89 Cb 0.62 -1.64 -0.02 0.00 0.00 0.00 0.00 33.22 32.19 1a67 n MET 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a67 s ALA 90 N -3.43 -1.82 -0.48 3.17 0.00 -0.05 -5.04 121.76 114.10 1a67 s ALA 90 Ca 0.33 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 1a67 s ALA 90 Cb 0.41 0.45 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1a67 s ALA 90 CO -0.02 -0.86 0.63 1.17 0.00 0.00 0.00 175.76 176.68 1a67 n LYS 91 N -0.35 -2.13 -3.75 0.00 3.00 -1.26 -4.72 118.16 108.94 1a67 n LYS 91 Ca -0.07 1.81 -0.11 0.00 -0.00 0.00 0.00 58.31 59.95 1a67 n LYS 91 Cb 0.61 -4.45 0.01 0.00 0.00 0.00 0.00 35.03 31.20 1a67 n LYS 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a67 n TYR 92 N -0.48 -2.01 -3.58 5.64 4.01 -1.26 -4.22 117.16 115.26 1a67 n TYR 92 Ca 0.03 -1.97 -0.02 0.00 -0.16 0.00 0.00 57.90 55.78 1a67 n TYR 92 Cb 0.54 0.77 -0.05 0.00 -0.31 0.00 0.00 39.34 40.29 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 -2.37 -0.55 0.30 -0.72 2.01 0.23 -4.90 115.64 109.65 1a67 s THR 93 Ca 0.20 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.09 1a67 s THR 93 Cb -0.03 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 1a67 s THR 93 CO 0.15 0.00 0.65 0.28 -0.69 0.00 0.00 174.62 175.01 1a67 s THR 94 N 2.33 4.85 0.17 -0.82 -1.32 -1.26 -0.34 115.64 119.24 1a67 s THR 94 Ca -0.06 0.56 -0.18 0.00 -1.21 0.00 0.00 61.69 60.80 1a67 s THR 94 Cb -0.08 -3.66 0.04 0.00 -1.51 0.00 0.00 72.50 67.29 1a67 s THR 94 CO -0.18 -0.24 0.51 0.00 -2.21 0.00 0.00 174.62 172.49 1a67 s THR 96 N -3.82 0.54 -0.02 0.00 2.01 0.07 0.01 115.64 114.44 1a67 s THR 96 Ca 0.05 -0.16 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 1a67 s THR 96 Cb -0.00 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1a67 s THR 96 CO -0.08 0.21 0.36 -0.36 -0.69 0.00 0.00 174.62 174.06 1a67 s PHE 97 N 0.71 3.70 -0.52 4.92 0.08 0.09 0.12 117.98 127.10 1a67 s PHE 97 Ca -0.10 0.91 0.04 0.00 0.12 0.00 0.00 56.93 57.90 1a67 s PHE 97 Cb -0.13 -2.22 0.13 0.00 -0.57 0.00 0.00 43.02 40.23 1a67 s PHE 97 CO 0.00 0.66 0.26 0.08 -0.10 0.00 0.00 175.22 176.13 1a67 s VAL 98 N -1.08 2.52 0.48 -0.44 1.01 -1.03 -0.99 120.40 120.88 1a67 s VAL 98 Ca 0.22 -3.29 -0.07 0.00 0.00 0.00 0.00 61.98 58.84 1a67 s VAL 98 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1a67 s VAL 98 CO 0.12 -0.81 0.82 -0.69 0.00 0.00 0.00 175.10 174.54 1a67 s VAL 99 N -0.27 4.86 -0.01 2.92 1.01 -0.57 -1.70 120.40 126.63 1a67 s VAL 99 Ca 0.17 0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.58 1a67 s VAL 99 Cb -0.26 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1a67 s VAL 99 CO -0.00 -0.82 -0.16 -0.47 0.00 0.00 0.00 175.10 173.65 1a67 s TYR 100 N -2.73 1.45 -0.22 5.22 6.14 -0.59 -1.25 117.35 125.37 1a67 s TYR 100 Ca 0.49 -0.28 -0.11 0.00 0.64 0.00 0.00 57.07 57.81 1a67 s TYR 100 Cb -0.10 -0.93 0.08 0.00 0.42 0.00 0.00 41.96 41.42 1a67 s TYR 100 CO 0.43 -0.03 0.52 0.45 0.64 0.00 0.00 175.55 177.56 1a67 s SER 101 N -0.35 -0.67 -0.30 4.32 0.15 -0.56 -1.30 113.70 115.00 1a67 s SER 101 Ca 0.06 1.18 -0.01 0.00 0.70 0.00 0.00 55.95 57.88 1a67 s SER 101 Cb -0.06 1.27 0.19 0.00 -1.71 0.00 0.00 66.02 65.71 1a67 s SER 101 CO -0.00 -0.22 0.67 -0.63 1.20 0.00 0.00 173.24 174.26 1a67 s ILE 102 N 1.92 -0.88 -1.12 6.45 1.01 -0.51 -1.52 121.20 126.56 1a67 s ILE 102 Ca -0.08 0.00 0.27 0.00 0.00 0.00 0.00 60.65 60.84 1a67 s ILE 102 Cb -0.09 -0.95 0.15 0.00 0.01 0.00 0.00 42.46 41.58 1a67 s ILE 102 CO -0.16 0.00 1.64 -0.81 0.00 0.00 0.00 174.94 175.61 1a67 n PRO 103 N 5.41 0.13 0.06 2.79 -0.04 -1.26 -0.23 135.00 141.86 1a67 n PRO 103 Ca 0.01 -0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1a67 n PRO 103 Cb 0.53 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.39 0.44 -1.88 0.54 -0.00 -1.26 -4.05 117.44 109.85 1a67 n TRP 104 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 1a67 n TRP 104 Cb 0.33 -0.73 0.00 0.00 -0.00 0.00 0.00 31.31 30.91 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 -1.88 0.00 -1.45 5.67 4.77 -1.26 -5.05 117.00 117.81 1a67 n LEU 105 Ca 0.05 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1a67 n LEU 105 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1a67 n LEU 105 CO 0.25 0.52 0.00 -3.20 -1.33 0.00 0.00 177.39 173.63 1a67 n ASN 106 N 0.00 -1.93 -3.59 -1.43 2.85 -1.24 -5.10 115.26 104.82 1a67 n ASN 106 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 1a67 n ASN 106 Cb 0.58 -0.96 -0.06 0.00 1.24 0.00 0.00 39.78 40.58 1a67 n ASN 106 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1a67 s GLN 107 N -2.13 1.00 0.00 1.20 2.00 0.68 -5.02 119.66 117.38 1a67 s GLN 107 Ca 0.00 -0.17 0.00 0.00 -2.00 0.00 0.00 55.36 53.19 1a67 s GLN 107 Cb 0.00 0.46 0.00 0.00 0.80 0.00 0.00 33.01 34.27 1a67 s GLN 107 CO 0.00 -0.35 0.00 1.51 -0.50 0.00 0.00 175.29 175.95 1a67 n ILE 108 N 0.56 0.00 -2.74 -2.34 0.00 -1.26 -1.43 119.36 112.15 1a67 n ILE 108 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.56 1a67 n ILE 108 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.23 1a67 n ILE 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1a67 n LYS 109 N 0.00 0.00 -3.35 9.51 3.00 -0.42 -4.94 118.16 121.96 1a67 n LYS 109 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.11 1a67 n LYS 109 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1a67 n LYS 109 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1a67 s LEU 110 N 0.00 0.29 0.06 3.14 1.98 -1.26 -1.54 118.68 121.35 1a67 s LEU 110 Ca 0.00 -1.94 -0.12 0.00 -2.89 0.00 0.00 54.13 49.18 1a67 s LEU 110 Cb 0.00 0.29 -0.03 0.00 0.66 0.00 0.00 46.19 47.11 1a67 s LEU 110 CO 0.00 -0.24 1.18 -0.11 -1.89 0.00 0.00 176.35 175.29 1a67 n LEU 111 N 3.91 -0.41 0.00 -0.68 7.94 -0.69 -4.91 117.00 122.16 1a67 n LEU 111 Ca 0.15 1.28 0.00 0.00 -1.11 0.00 0.00 56.01 56.32 1a67 n LEU 111 Cb 0.44 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1a67 n LEU 111 CO 0.09 -0.86 0.00 -1.84 -1.11 0.00 0.00 177.39 173.68 1a67 n GLU 112 N -3.87 -2.22 -3.86 1.96 0.28 -1.26 -5.02 120.64 106.64 1a67 n GLU 112 Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.67 1a67 n GLU 112 Cb 0.10 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.85 1a67 n GLU 112 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1a67 s SER 113 N -2.11 4.91 -0.89 -1.84 0.15 -1.26 -2.47 113.70 110.20 1a67 s SER 113 Ca 0.00 -2.52 -0.26 0.00 0.70 0.00 0.00 55.95 53.87 1a67 s SER 113 Cb 0.00 -1.75 -0.16 0.00 -1.71 0.00 0.00 66.02 62.41 1a67 s SER 113 CO 0.00 -0.38 2.29 -0.54 1.20 0.00 0.00 173.24 175.81 1a67 s LYS 114 N 0.42 1.52 -0.73 5.44 1.02 0.12 -4.63 119.74 122.91 1a67 s LYS 114 Ca 0.13 0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.25 1a67 s LYS 114 Cb -0.22 -4.86 0.18 0.00 -0.52 0.00 0.00 37.83 32.41 1a67 s LYS 114 CO -0.04 -4.72 0.56 0.00 -0.92 0.00 0.00 175.35 170.23