#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n GLN 2 N 0.00 -4.35 -1.41 -0.52 1.13 -1.26 -4.94 117.38 106.04 1q81 n GLN 2 Ca 0.00 3.30 -0.34 0.00 -1.94 0.00 0.00 57.00 58.01 1q81 n GLN 2 Cb 0.00 -4.86 0.10 0.00 0.11 0.00 0.00 30.24 25.59 1q81 n GLN 2 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1q81 s PRO 3 N -0.71 2.09 0.75 -1.09 0.02 -1.26 -5.00 135.00 129.79 1q81 s PRO 3 Ca -0.27 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 62.45 1q81 s PRO 3 Cb 0.02 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.77 1q81 s PRO 3 CO 0.75 -1.89 1.11 -1.12 -0.33 0.00 0.00 177.00 175.53 1q81 s SER 4 N -1.96 4.93 -0.29 2.53 0.01 -1.26 -5.08 113.70 112.58 1q81 s SER 4 Ca 0.75 0.85 -0.26 0.00 1.31 0.00 0.00 55.95 58.60 1q81 s SER 4 Cb -0.30 -1.49 0.17 0.00 0.21 0.00 0.00 66.02 64.61 1q81 s SER 4 CO 0.46 -1.62 1.32 -0.60 0.41 0.00 0.00 173.24 173.21 1q81 s ARG 5 N -5.42 0.18 0.51 12.44 3.52 -1.26 -5.16 118.95 123.77 1q81 s ARG 5 Ca 0.60 0.19 -0.21 0.00 -0.13 0.00 0.00 55.73 56.18 1q81 s ARG 5 Cb -0.11 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.31 1q81 s ARG 5 CO 0.49 -0.03 1.14 -2.14 -0.81 0.00 0.00 175.30 173.95 1q81 s PRO 6 N -0.09 3.50 0.98 5.12 0.02 -1.26 -4.99 135.00 138.29 1q81 s PRO 6 Ca 0.06 1.66 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 1q81 s PRO 6 Cb -0.04 -2.14 0.11 0.00 0.02 0.00 0.00 34.50 32.44 1q81 s PRO 6 CO -0.12 -0.74 0.69 2.89 -0.33 0.00 0.00 177.00 179.39 1q81 n ARG 7 N -1.02 -0.68 -3.06 5.54 -4.01 -1.26 -4.92 116.66 107.24 1q81 n ARG 7 Ca 0.10 -0.15 -0.42 0.00 -1.04 0.00 0.00 57.85 56.34 1q81 n ARG 7 Cb 0.50 -2.06 -0.06 0.00 -3.04 0.00 0.00 32.46 27.80 1q81 n ARG 7 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 1q81 s LYS 8 N -4.04 3.75 0.00 2.89 -0.14 -1.26 -4.90 119.74 116.04 1q81 s LYS 8 Ca 0.61 0.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 1q81 s LYS 8 Cb -0.21 -3.79 0.00 0.00 -1.68 0.00 0.00 37.83 32.15 1q81 s LYS 8 CO 0.64 -0.73 0.00 0.41 -0.76 0.00 0.00 175.35 174.90 1q81 n GLY 9 N 4.56 -2.08 3.86 -3.33 0.00 -1.17 -4.84 105.19 102.18 1q81 n GLY 9 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1q81 n GLY 9 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q81 s SER 10 N -4.24 5.97 -0.45 1.61 0.15 -1.26 -5.00 113.70 110.48 1q81 s SER 10 Ca 0.00 0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.80 1q81 s SER 10 Cb 0.00 -1.73 0.57 0.00 -1.71 0.00 0.00 66.02 63.15 1q81 s SER 10 CO 0.00 0.14 1.80 0.18 1.20 0.00 0.00 173.24 176.56 1q81 n LEU 11 N 0.16 6.25 -0.28 3.45 4.32 -1.26 -4.28 117.00 125.37 1q81 n LEU 11 Ca -0.07 -3.88 0.05 0.00 -0.02 0.00 0.00 56.01 52.09 1q81 n LEU 11 Cb 0.52 -0.79 0.01 0.00 -1.62 0.00 0.00 43.42 41.54 1q81 n LEU 11 CO 0.48 1.27 0.27 0.61 -1.22 0.00 0.00 177.39 178.79 1q81 n GLY 12 N -1.07 -0.22 2.29 -0.72 0.00 -1.26 -4.56 105.19 99.65 1q81 n GLY 12 Ca 0.54 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 1q81 n GLY 12 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q81 n PHE 13 N -0.03 2.87 -4.33 1.61 3.01 -1.26 -5.07 117.46 114.25 1q81 n PHE 13 Ca 0.05 -2.62 -0.17 0.00 1.01 0.00 0.00 57.45 55.72 1q81 n PHE 13 Cb 0.22 -0.23 -0.10 0.00 -0.01 0.00 0.00 39.48 39.36 1q81 n PHE 13 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1q81 s GLY 14 N -3.56 1.65 0.99 1.37 0.00 -1.26 -4.15 107.32 102.35 1q81 s GLY 14 Ca 0.47 -1.82 -0.11 0.00 0.00 0.00 0.00 44.72 43.26 1q81 s GLY 14 CO -0.06 -1.64 1.04 -1.55 0.00 0.00 0.00 173.10 170.89 1q81 n PRO 15 N -0.45 -0.96 -1.37 2.90 -0.04 -1.26 -5.05 135.00 128.77 1q81 n PRO 15 Ca -0.03 -0.23 -0.26 0.00 -0.04 0.00 0.00 63.50 62.95 1q81 n PRO 15 Cb 0.65 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 1q81 n PRO 15 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1q81 n ARG 16 N -4.21 2.30 -2.87 0.54 3.00 -1.26 -4.97 116.66 109.19 1q81 n ARG 16 Ca 0.09 -2.27 -0.24 0.00 -0.01 0.00 0.00 57.85 55.42 1q81 n ARG 16 Cb 0.53 -2.04 0.01 0.00 0.00 0.00 0.00 32.46 30.96 1q81 n ARG 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 1q81 s LYS 17 N -1.96 3.14 0.58 5.56 -2.85 -1.26 -4.34 119.74 118.62 1q81 s LYS 17 Ca 0.53 -0.29 -0.20 0.00 -1.00 0.00 0.00 55.97 55.01 1q81 s LYS 17 Cb 0.36 -2.49 -0.04 0.00 -2.06 0.00 0.00 37.83 33.60 1q81 s LYS 17 CO -0.17 -0.30 1.16 0.54 0.10 0.00 0.00 175.35 176.68 1q81 n ARG 18 N -2.17 1.22 -2.51 1.78 1.74 -1.26 -4.71 116.66 110.75 1q81 n ARG 18 Ca 0.01 0.46 -0.36 0.00 -0.77 0.00 0.00 57.85 57.20 1q81 n ARG 18 Cb 0.57 -2.36 -0.04 0.00 -1.02 0.00 0.00 32.46 29.61 1q81 n ARG 18 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q81 s SER 19 N -1.14 6.57 -0.01 0.55 0.15 -0.68 -4.99 113.70 114.15 1q81 s SER 19 Ca 0.75 2.03 -0.24 0.00 0.70 0.00 0.00 55.95 59.20 1q81 s SER 19 Cb -0.42 -2.58 -0.19 0.00 -1.71 0.00 0.00 66.02 61.12 1q81 s SER 19 CO 0.47 -0.63 1.25 0.74 1.20 0.00 0.00 173.24 176.27 1q81 h THR 20 N 1.97 1.41 -3.24 6.45 2.02 -1.92 -3.43 112.91 116.17 1q81 h THR 20 Ca -0.49 -1.36 -0.67 0.00 0.77 0.00 0.00 66.41 64.67 1q81 h THR 20 Cb 1.22 2.18 -0.32 0.00 -1.74 0.00 0.00 68.15 69.50 1q81 h THR 20 CO 0.61 0.37 -0.82 -0.44 0.37 0.00 0.00 175.52 175.61 1q81 s SER 21 N -5.96 3.51 0.32 4.18 0.01 -1.26 -4.95 113.70 109.54 1q81 s SER 21 Ca -0.15 -0.52 0.22 0.00 1.31 0.00 0.00 55.95 56.80 1q81 s SER 21 Cb 0.03 -1.54 1.16 0.00 0.21 0.00 0.00 66.02 65.88 1q81 s SER 21 CO 0.71 0.06 1.67 1.21 0.41 0.00 0.00 173.24 177.31 1q81 n GLU 22 N 4.20 0.15 -3.76 12.44 2.13 -1.26 -4.28 120.64 130.26 1q81 n GLU 22 Ca -0.19 0.62 -0.35 0.00 0.66 0.00 0.00 57.16 57.89 1q81 n GLU 22 Cb 0.51 -1.95 -0.09 0.00 0.27 0.00 0.00 31.44 30.18 1q81 n GLU 22 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1q81 s THR 23 N -3.53 5.24 0.42 6.31 2.01 -1.26 -4.33 115.64 120.50 1q81 s THR 23 Ca -0.02 0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.85 1q81 s THR 23 Cb 0.07 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 1q81 s THR 23 CO 0.22 0.41 1.46 -2.65 -0.69 0.00 0.00 174.62 173.36 1q81 n PRO 24 N 3.85 2.45 -3.89 4.92 -0.02 -1.26 -5.02 135.00 136.02 1q81 n PRO 24 Ca -0.16 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 1q81 n PRO 24 Cb 0.52 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 1q81 n PRO 24 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1q81 s ARG 25 N -2.30 1.24 0.52 -0.52 1.81 -1.26 -5.01 118.95 113.43 1q81 s ARG 25 Ca 0.58 -1.68 -0.21 0.00 -1.72 0.00 0.00 55.73 52.69 1q81 s ARG 25 Cb -0.46 -2.72 -0.07 0.00 -0.45 0.00 0.00 34.95 31.25 1q81 s ARG 25 CO 0.60 -0.99 1.09 1.19 -0.68 0.00 0.00 175.30 176.51 1q81 n PHE 26 N 4.29 1.36 -0.66 -0.53 3.01 -1.26 -4.89 117.46 118.78 1q81 n PHE 26 Ca 0.02 0.47 0.05 0.00 1.01 0.00 0.00 57.45 59.01 1q81 n PHE 26 Cb 0.40 -2.23 0.08 0.00 -0.01 0.00 0.00 39.48 37.72 1q81 n PHE 26 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1q81 n ASN 27 N -0.36 2.09 -3.63 4.37 2.04 -1.26 -5.00 115.26 113.51 1q81 n ASN 27 Ca 0.11 -2.57 -0.14 0.00 -0.44 0.00 0.00 54.58 51.53 1q81 n ASN 27 Cb 0.44 -0.24 -0.07 0.00 -2.53 0.00 0.00 39.78 37.37 1q81 n ASN 27 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 1q81 s SER 28 N -2.01 -0.70 0.24 0.53 0.01 -1.26 -5.19 113.70 105.33 1q81 s SER 28 Ca 0.17 1.29 0.09 0.00 1.31 0.00 0.00 55.95 58.82 1q81 s SER 28 Cb 0.15 1.29 -0.05 0.00 0.21 0.00 0.00 66.02 67.63 1q81 s SER 28 CO 0.02 -0.27 -0.17 0.26 0.41 0.00 0.00 173.24 173.49 1q81 s TRP 29 N 0.20 1.95 1.22 2.43 0.52 -1.26 -5.06 118.94 118.94 1q81 s TRP 29 Ca -0.01 -0.48 -0.14 0.00 0.02 0.00 0.00 56.10 55.50 1q81 s TRP 29 Cb -0.04 -0.88 0.31 0.00 -1.15 0.00 0.00 33.47 31.71 1q81 s TRP 29 CO 0.02 0.51 1.00 -2.14 0.02 0.00 0.00 176.95 176.36 1q81 s PRO 30 N -3.59 -1.39 0.32 4.98 0.02 -1.26 -4.98 135.00 129.10 1q81 s PRO 30 Ca 0.26 0.79 -0.16 0.00 0.02 0.00 0.00 61.00 61.91 1q81 s PRO 30 Cb -0.02 -1.50 -0.09 0.00 0.02 0.00 0.00 34.50 32.90 1q81 s PRO 30 CO 0.10 -4.03 0.75 -1.54 -0.33 0.00 0.00 177.00 171.96 1q81 s SER 31 N -2.42 6.83 -1.05 2.53 1.04 -1.26 -4.98 113.70 114.39 1q81 s SER 31 Ca 0.69 1.34 -0.22 0.00 0.48 0.00 0.00 55.95 58.23 1q81 s SER 31 Cb -0.25 -2.39 0.02 0.00 0.10 0.00 0.00 66.02 63.50 1q81 s SER 31 CO 0.66 -0.19 1.63 -1.81 0.98 0.00 0.00 173.24 174.51 1q81 s ASP 32 N -2.18 6.18 0.00 7.02 1.01 -1.26 -4.75 116.67 122.69 1q81 s ASP 32 Ca 0.53 -1.47 0.00 0.00 0.71 0.00 0.00 52.55 52.32 1q81 s ASP 32 Cb -0.11 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1q81 s ASP 32 CO 0.18 -1.81 0.00 -0.67 0.21 0.00 0.00 175.17 173.07 1q81 n ASP 33 N 10.23 0.00 -3.10 0.27 -0.08 -1.26 -4.92 116.55 117.69 1q81 n ASP 33 Ca 0.38 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1q81 n ASP 33 Cb 0.49 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.95 1q81 n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q81 n GLY 34 N 3.78 -2.54 3.62 0.27 0.00 -1.26 -4.61 105.19 104.44 1q81 n GLY 34 Ca 0.00 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1q81 n GLY 34 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q81 s GLN 35 N 0.00 0.25 0.37 1.61 -0.21 -1.26 -3.24 119.66 117.18 1q81 s GLN 35 Ca 0.00 0.87 -0.28 0.00 0.02 0.00 0.00 55.36 55.97 1q81 s GLN 35 Cb 0.00 -1.69 -0.11 0.00 1.00 0.00 0.00 33.01 32.21 1q81 s GLN 35 CO 0.00 -2.94 1.48 -2.14 -2.12 0.00 0.00 175.29 169.57 1q81 s PRO 36 N -4.73 4.12 -0.21 2.91 0.02 -1.26 -4.36 135.00 131.49 1q81 s PRO 36 Ca 0.66 2.56 -0.34 0.00 0.02 0.00 0.00 61.00 63.90 1q81 s PRO 36 Cb -0.21 -2.97 0.15 0.00 0.02 0.00 0.00 34.50 31.48 1q81 s PRO 36 CO 0.60 -0.52 1.23 0.20 -0.33 0.00 0.00 177.00 178.18 1q81 s GLY 37 N -0.15 -0.21 0.12 0.52 0.00 0.95 -4.90 107.32 103.64 1q81 s GLY 37 Ca 0.53 1.91 -0.30 0.00 0.00 0.00 0.00 44.72 46.85 1q81 s GLY 37 CO 0.62 0.70 1.15 0.14 0.00 0.00 0.00 173.10 175.72 1q81 s VAL 38 N -2.00 3.95 -0.53 1.40 1.01 -1.26 -1.43 120.40 121.54 1q81 s VAL 38 Ca 0.08 1.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.57 1q81 s VAL 38 Cb -0.01 -3.97 0.31 0.00 0.00 0.00 0.00 36.38 32.71 1q81 s VAL 38 CO -0.05 0.18 2.11 0.00 0.00 0.00 0.00 175.10 177.35 1q81 n GLN 39 N 3.19 2.33 0.00 2.72 6.02 0.27 -4.91 117.38 127.01 1q81 n GLN 39 Ca 0.06 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.48 1q81 n GLN 39 Cb 0.46 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.70 1q81 n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q81 n GLY 40 N -0.22 0.75 3.55 1.08 0.00 -1.26 -4.43 105.19 104.66 1q81 n GLY 40 Ca 0.48 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 1q81 n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q81 s PHE 41 N -2.00 -0.31 0.25 1.61 5.36 -0.84 -4.98 117.98 117.07 1q81 s PHE 41 Ca 0.00 0.13 0.03 0.00 -0.96 0.00 0.00 56.93 56.14 1q81 s PHE 41 Cb 0.00 0.56 -0.01 0.00 -0.34 0.00 0.00 43.02 43.23 1q81 s PHE 41 CO 0.00 -0.61 0.13 0.00 -1.46 0.00 0.00 175.22 173.27 1q81 n ALA 42 N -0.30 0.41 0.00 11.12 0.00 -1.26 0.11 120.51 130.59 1q81 n ALA 42 Ca -0.08 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.02 1q81 n ALA 42 Cb 0.62 0.96 0.00 0.00 0.00 0.00 0.00 19.45 21.03 1q81 n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 43 N 0.03 -1.24 3.10 0.00 0.00 -0.84 -4.71 105.19 101.53 1q81 n GLY 43 Ca -0.01 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1q81 n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q81 s TYR 44 N -2.72 2.26 0.46 1.61 1.51 -0.37 -1.06 117.35 119.05 1q81 s TYR 44 Ca 0.00 -1.12 -0.25 0.00 -1.01 0.00 0.00 57.07 54.70 1q81 s TYR 44 Cb 0.00 -1.59 -0.08 0.00 -0.11 0.00 0.00 41.96 40.18 1q81 s TYR 44 CO 0.00 -0.55 1.39 1.17 -1.11 0.00 0.00 175.55 176.45 1q81 n LYS 45 N 4.19 2.11 -0.01 -0.62 4.81 -0.79 -1.72 118.16 126.14 1q81 n LYS 45 Ca -0.19 0.75 -0.02 0.00 -0.87 0.00 0.00 58.31 57.98 1q81 n LYS 45 Cb 0.51 -2.57 -0.01 0.00 0.02 0.00 0.00 35.03 32.98 1q81 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q81 n ALA 46 N -0.33 2.90 0.00 3.14 0.00 -0.42 -1.19 120.51 124.61 1q81 n ALA 46 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q81 n ALA 46 Cb 0.41 0.48 0.00 0.00 0.00 0.00 0.00 19.45 20.34 1q81 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 47 N 2.90 -0.70 3.19 0.00 0.00 -1.20 -4.80 105.19 104.59 1q81 n GLY 47 Ca -0.03 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 1q81 n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q81 s MET 48 N -1.20 0.88 0.10 1.61 -1.94 -1.26 0.10 119.30 117.60 1q81 s MET 48 Ca 0.00 -1.06 -0.26 0.00 -1.71 0.00 0.00 55.69 52.66 1q81 s MET 48 Cb 0.00 -0.82 0.08 0.00 2.01 0.00 0.00 34.83 36.10 1q81 s MET 48 CO 0.00 0.17 0.88 0.95 -0.01 0.00 0.00 175.02 177.01 1q81 s THR 49 N -1.64 0.00 0.37 2.05 -4.23 -0.53 -4.98 115.64 106.68 1q81 s THR 49 Ca 0.02 -0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1q81 s THR 49 Cb -0.08 -1.50 -0.03 0.00 1.34 0.00 0.00 72.50 72.24 1q81 s THR 49 CO 0.02 0.00 0.32 -1.38 -0.54 0.00 0.00 174.62 173.04 1q81 s HIS 50 N -3.32 2.81 -0.03 3.99 -3.43 -1.26 -0.33 115.29 113.73 1q81 s HIS 50 Ca 0.08 -0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 53.91 1q81 s HIS 50 Cb -0.02 -1.94 0.01 0.00 -1.43 0.00 0.00 32.58 29.21 1q81 s HIS 50 CO -0.03 0.07 0.12 0.54 -2.00 0.00 0.00 174.74 173.44 1q81 s VAL 51 N -2.38 0.02 -0.06 -5.38 0.11 0.51 -1.88 120.40 111.34 1q81 s VAL 51 Ca 0.44 -0.19 -0.17 0.00 -2.93 0.00 0.00 61.98 59.13 1q81 s VAL 51 Cb -0.05 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1q81 s VAL 51 CO 0.27 -0.10 0.44 -0.69 -3.33 0.00 0.00 175.10 171.69 1q81 s VAL 52 N -0.31 5.10 0.31 2.04 1.01 0.20 0.23 120.40 128.99 1q81 s VAL 52 Ca -0.04 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.86 1q81 s VAL 52 Cb -0.03 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1q81 s VAL 52 CO 0.00 0.45 0.07 -0.76 0.00 0.00 0.00 175.10 174.86 1q81 s LEU 53 N -0.18 2.01 -0.25 3.92 1.02 -0.43 -1.70 118.68 123.06 1q81 s LEU 53 Ca 0.24 -1.39 -0.12 0.00 0.02 0.00 0.00 54.13 52.88 1q81 s LEU 53 Cb -0.16 -0.25 -0.05 0.00 0.02 0.00 0.00 46.19 45.76 1q81 s LEU 53 CO 0.12 -0.66 0.24 -0.69 0.02 0.00 0.00 176.35 175.38 1q81 s VAL 54 N -3.43 5.29 -0.34 -1.59 1.01 -1.03 -1.70 120.40 118.61 1q81 s VAL 54 Ca 0.37 0.32 -0.42 0.00 0.00 0.00 0.00 61.98 62.25 1q81 s VAL 54 Cb 0.08 -3.58 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 1q81 s VAL 54 CO 0.15 0.27 1.75 -3.20 0.00 0.00 0.00 175.10 174.07 1q81 n ASN 55 N 4.74 2.10 -0.07 3.32 2.85 0.15 -4.72 115.26 123.64 1q81 n ASN 55 Ca -0.13 1.06 -0.05 0.00 -0.11 0.00 0.00 54.58 55.36 1q81 n ASN 55 Cb 0.52 -1.08 -0.16 0.00 1.24 0.00 0.00 39.78 40.30 1q81 n ASN 55 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1q81 n ASP 56 N 5.35 0.10 -4.66 1.20 -0.08 -1.26 -0.65 116.55 116.56 1q81 n ASP 56 Ca 0.29 0.05 -0.42 0.00 -1.51 0.00 0.00 54.79 53.19 1q81 n ASP 56 Cb 0.09 1.10 -0.03 0.00 2.34 0.00 0.00 41.12 44.62 1q81 n ASP 56 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1q81 s GLU 57 N -2.75 4.06 0.28 -0.67 2.12 -1.26 -4.90 118.70 115.59 1q81 s GLU 57 Ca -0.09 2.55 0.02 0.00 0.36 0.00 0.00 54.97 57.81 1q81 s GLU 57 Cb 0.08 -4.17 0.42 0.00 0.26 0.00 0.00 34.13 30.71 1q81 s GLU 57 CO 0.85 -1.04 1.74 -1.00 -0.54 0.00 0.00 175.26 175.27 1q81 h PRO 58 N 10.91 0.55 -0.14 4.30 0.13 -1.99 -2.93 132.00 142.83 1q81 h PRO 58 Ca -0.49 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1q81 h PRO 58 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1q81 h PRO 58 CO 0.94 0.70 0.00 0.09 -0.23 0.00 0.00 178.00 179.51 1q81 n ASN 59 N -4.16 1.02 -4.79 1.44 3.02 -1.26 -4.87 115.26 105.66 1q81 n ASN 59 Ca 0.00 -1.76 -0.38 0.00 -0.03 0.00 0.00 54.58 52.41 1q81 n ASN 59 Cb 0.37 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.38 1q81 n ASN 59 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1q81 s SER 60 N -1.33 6.76 0.00 6.41 0.15 -1.10 -4.93 113.70 119.66 1q81 s SER 60 Ca 0.23 0.91 0.11 0.00 0.70 0.00 0.00 55.95 57.90 1q81 s SER 60 Cb 0.12 -2.26 0.67 0.00 -1.71 0.00 0.00 66.02 62.84 1q81 s SER 60 CO 0.18 0.21 1.14 -2.65 1.20 0.00 0.00 173.24 173.32 1q81 n PRO 61 N 2.50 0.58 0.00 5.44 -0.02 -1.26 -1.80 135.00 140.44 1q81 n PRO 61 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1q81 n PRO 61 Cb 0.52 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1q81 n PRO 61 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1q81 n ARG 62 N -0.80 0.33 -1.65 -0.52 1.74 -1.26 -5.04 116.66 109.45 1q81 n ARG 62 Ca 0.08 -0.81 -0.52 0.00 -0.77 0.00 0.00 57.85 55.83 1q81 n ARG 62 Cb 0.04 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1q81 n ARG 62 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1q81 n GLU 63 N -0.16 1.45 0.00 5.56 0.28 -0.75 -0.65 120.64 126.38 1q81 n GLU 63 Ca 0.00 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.53 1q81 n GLU 63 Cb 0.09 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.73 1q81 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1q81 n GLY 64 N 3.46 2.89 3.96 -1.84 0.00 0.18 -4.90 105.19 108.94 1q81 n GLY 64 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1q81 n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1q81 s MET 65 N -0.56 2.76 0.90 1.61 -1.94 0.18 -4.50 119.30 117.74 1q81 s MET 65 Ca 0.00 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.27 1q81 s MET 65 Cb 0.00 -2.49 0.13 0.00 2.01 0.00 0.00 34.83 34.48 1q81 s MET 65 CO 0.00 -0.55 1.13 -1.21 -0.01 0.00 0.00 175.02 174.37 1q81 s GLU 66 N -4.71 1.18 -0.30 2.03 0.41 -1.26 0.32 118.70 116.37 1q81 s GLU 66 Ca 0.54 1.41 -0.14 0.00 -0.41 0.00 0.00 54.97 56.37 1q81 s GLU 66 Cb -0.10 -1.76 0.18 0.00 -1.78 0.00 0.00 34.13 30.67 1q81 s GLU 66 CO 0.39 -2.48 1.06 -2.00 -0.49 0.00 0.00 175.26 171.74 1q81 s GLU 67 N -4.70 0.19 -0.08 1.61 2.12 -0.69 -4.71 118.70 112.44 1q81 s GLU 67 Ca 0.66 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 56.07 1q81 s GLU 67 Cb -0.22 0.21 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 1q81 s GLU 67 CO 0.58 -0.17 1.17 0.99 -0.54 0.00 0.00 175.26 177.29 1q81 s THR 68 N 2.79 4.35 -0.00 -1.70 2.01 -1.26 -1.31 115.64 120.52 1q81 s THR 68 Ca -0.01 1.66 0.07 0.00 0.31 0.00 0.00 61.69 63.72 1q81 s THR 68 Cb -0.09 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 1q81 s THR 68 CO -0.12 -0.03 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.87 1q81 s VAL 69 N 2.39 2.43 -0.09 3.82 1.01 0.14 -4.93 120.40 125.17 1q81 s VAL 69 Ca 0.54 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 1q81 s VAL 69 Cb -0.23 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1q81 s VAL 69 CO 0.20 0.49 0.57 -2.84 0.00 0.00 0.00 175.10 173.51 1q81 s PRO 70 N -0.94 4.37 -0.01 2.72 0.02 -1.26 -0.37 135.00 139.53 1q81 s PRO 70 Ca 0.12 0.63 0.04 0.00 0.02 0.00 0.00 61.00 61.81 1q81 s PRO 70 Cb -0.10 -3.43 -0.01 0.00 0.02 0.00 0.00 34.50 30.98 1q81 s PRO 70 CO 0.01 0.15 -0.15 0.08 -0.33 0.00 0.00 177.00 176.77 1q81 s VAL 71 N 0.58 1.16 -0.15 3.83 1.01 0.55 0.43 120.40 127.81 1q81 s VAL 71 Ca 0.31 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 1q81 s VAL 71 Cb -0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1q81 s VAL 71 CO 0.14 0.33 0.23 -0.89 0.00 0.00 0.00 175.10 174.91 1q81 s THR 72 N -0.33 5.35 -0.01 3.92 2.01 -0.04 -1.45 115.64 125.09 1q81 s THR 72 Ca 0.05 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 1q81 s THR 72 Cb -0.06 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1q81 s THR 72 CO -0.00 0.46 0.56 -0.69 -0.69 0.00 0.00 174.62 174.26 1q81 s VAL 73 N 0.04 4.94 -0.07 3.82 1.01 0.29 -1.63 120.40 128.81 1q81 s VAL 73 Ca 0.14 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.28 1q81 s VAL 73 Cb -0.13 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1q81 s VAL 73 CO 0.03 0.43 -0.01 -0.63 0.00 0.00 0.00 175.10 174.92 1q81 s ILE 74 N -0.25 0.46 -0.52 2.22 1.01 -0.43 -1.30 121.20 122.39 1q81 s ILE 74 Ca 0.30 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 1q81 s ILE 74 Cb -0.18 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.74 1q81 s ILE 74 CO 0.16 0.26 1.24 -1.61 0.00 0.00 0.00 174.94 174.99 1q81 s GLU 75 N 1.69 3.56 -0.79 2.79 2.02 -0.70 -0.23 118.70 127.05 1q81 s GLU 75 Ca 0.01 0.48 0.03 0.00 0.02 0.00 0.00 54.97 55.51 1q81 s GLU 75 Cb -0.13 -4.00 0.26 0.00 0.10 0.00 0.00 34.13 30.37 1q81 s GLU 75 CO -0.04 -1.60 0.94 0.25 0.02 0.00 0.00 175.26 174.83 1q81 n THR 76 N 6.82 3.21 -1.07 3.63 -2.24 -0.51 -1.23 114.28 122.89 1q81 n THR 76 Ca 0.11 -5.40 -0.30 0.00 -2.27 0.00 0.00 64.05 56.20 1q81 n THR 76 Cb 0.49 -2.12 0.22 0.00 -2.10 0.00 0.00 70.33 66.82 1q81 n THR 76 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1q81 s PRO 77 N -2.44 -0.78 0.78 -0.78 0.02 -1.25 -4.46 135.00 126.09 1q81 s PRO 77 Ca 0.36 0.14 -0.11 0.00 0.02 0.00 0.00 61.00 61.41 1q81 s PRO 77 Cb 0.09 -1.63 0.06 0.00 0.02 0.00 0.00 34.50 33.05 1q81 s PRO 77 CO 0.00 -3.46 1.10 -2.14 -0.33 0.00 0.00 177.00 172.17 1q81 s PRO 78 N -5.23 2.16 0.48 5.54 0.02 -1.26 -4.78 135.00 131.93 1q81 s PRO 78 Ca 0.69 1.21 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1q81 s PRO 78 Cb -0.13 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 1q81 s PRO 78 CO 0.57 -1.72 0.04 -1.64 -0.33 0.00 0.00 177.00 173.91 1q81 s MET 79 N -4.85 2.11 -0.17 5.54 -1.94 -0.69 -4.29 119.30 115.02 1q81 s MET 79 Ca 0.62 -2.33 -0.05 0.00 -1.71 0.00 0.00 55.69 52.22 1q81 s MET 79 Cb -0.18 -1.27 0.06 0.00 2.01 0.00 0.00 34.83 35.45 1q81 s MET 79 CO 0.56 -0.38 0.10 1.03 -0.01 0.00 0.00 175.02 176.32 1q81 s ARG 80 N -3.82 0.07 -0.64 2.03 0.52 -0.99 -1.60 118.95 114.52 1q81 s ARG 80 Ca 0.12 -0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 55.03 1q81 s ARG 80 Cb 0.02 -1.72 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 1q81 s ARG 80 CO 0.07 -0.66 1.78 0.00 0.02 0.00 0.00 175.30 176.51 1q81 s ALA 81 N 2.16 2.24 -1.17 2.13 0.00 0.13 -3.03 121.76 124.22 1q81 s ALA 81 Ca 0.03 -0.80 0.27 0.00 0.00 0.00 0.00 51.96 51.46 1q81 s ALA 81 Cb -0.16 -4.31 0.87 0.00 0.00 0.00 0.00 23.12 19.52 1q81 s ALA 81 CO -0.09 -3.84 1.66 0.28 0.00 0.00 0.00 175.76 173.76 1q81 n VAL 82 N 7.11 0.00 -3.54 0.00 0.31 -0.32 -3.54 118.33 118.34 1q81 n VAL 82 Ca 0.19 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.38 1q81 n VAL 82 Cb 0.51 -0.02 -0.04 0.00 -0.91 0.00 0.00 33.84 33.38 1q81 n VAL 82 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q81 s ALA 83 N -2.87 -1.87 -0.23 3.52 0.00 -1.03 -3.31 121.76 115.98 1q81 s ALA 83 Ca 0.16 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.42 1q81 s ALA 83 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1q81 s ALA 83 CO 0.60 -0.44 -0.01 -1.17 0.00 0.00 0.00 175.76 174.73 1q81 s LEU 84 N -1.57 3.07 -0.12 0.00 1.98 -0.03 0.56 118.68 122.57 1q81 s LEU 84 Ca -0.01 -0.37 -0.04 0.00 -2.89 0.00 0.00 54.13 50.82 1q81 s LEU 84 Cb -0.01 -1.79 -0.04 0.00 0.66 0.00 0.00 46.19 45.02 1q81 s LEU 84 CO -0.00 -0.03 0.04 -0.60 -1.89 0.00 0.00 176.35 173.86 1q81 s ARG 85 N 1.51 3.32 -0.02 1.98 3.52 0.11 -0.65 118.95 128.72 1q81 s ARG 85 Ca 0.06 -0.35 0.05 0.00 -0.13 0.00 0.00 55.73 55.36 1q81 s ARG 85 Cb -0.15 -2.96 -0.03 0.00 -1.56 0.00 0.00 34.95 30.26 1q81 s ARG 85 CO -0.01 0.60 -0.17 0.00 -0.81 0.00 0.00 175.30 174.90 1q81 s ALA 86 N -0.56 2.58 0.05 6.12 0.00 -0.96 -2.34 121.76 126.65 1q81 s ALA 86 Ca 0.10 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.08 1q81 s ALA 86 Cb -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1q81 s ALA 86 CO 0.02 0.56 -0.19 0.71 0.00 0.00 0.00 175.76 176.86 1q81 s TYR 87 N -0.77 2.52 -0.05 0.00 1.51 -1.22 0.26 117.35 119.60 1q81 s TYR 87 Ca 0.12 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1q81 s TYR 87 Cb -0.10 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1q81 s TYR 87 CO 0.02 0.26 -0.16 -1.83 -1.11 0.00 0.00 175.55 172.72 1q81 s GLU 88 N -1.52 2.44 0.25 -0.62 -1.05 0.77 0.27 118.70 119.24 1q81 s GLU 88 Ca 0.15 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 1q81 s GLU 88 Cb -0.10 -2.32 -0.09 0.00 -0.44 0.00 0.00 34.13 31.17 1q81 s GLU 88 CO 0.05 0.61 1.19 -0.51 0.95 0.00 0.00 175.26 177.55 1q81 s ASP 89 N -0.70 7.09 0.10 0.83 1.01 0.01 -2.20 116.67 122.81 1q81 s ASP 89 Ca 0.11 2.34 -0.06 0.00 0.71 0.00 0.00 52.55 55.65 1q81 s ASP 89 Cb -0.11 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 1q81 s ASP 89 CO 0.00 -0.32 0.15 0.42 0.21 0.00 0.00 175.17 175.63 1q81 s THR 90 N -0.66 0.14 -0.81 -1.27 -4.23 -0.54 -4.96 115.64 103.31 1q81 s THR 90 Ca 0.49 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1q81 s THR 90 Cb -0.34 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1q81 s THR 90 CO 0.41 -0.64 0.91 -2.65 -0.54 0.00 0.00 174.62 172.11 1q81 n PRO 91 N -0.06 0.00 -1.27 3.99 -0.02 -1.26 -0.96 135.00 135.42 1q81 n PRO 91 Ca -0.12 0.41 -0.08 0.00 -2.02 0.00 0.00 63.50 61.68 1q81 n PRO 91 Cb 0.62 -1.59 0.12 0.00 -0.02 0.00 0.00 33.50 32.63 1q81 n PRO 91 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1q81 n TYR 92 N -1.41 1.27 -1.93 6.00 4.02 -1.26 -5.10 117.16 118.76 1q81 n TYR 92 Ca -0.00 -1.83 0.00 0.00 -0.01 0.00 0.00 57.90 56.06 1q81 n TYR 92 Cb 0.09 -0.29 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 1q81 n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q81 n GLY 93 N -0.92 -1.78 3.78 2.72 0.00 -0.14 -4.91 105.19 103.95 1q81 n GLY 93 Ca 0.30 -1.70 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1q81 n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q81 s GLN 94 N 0.00 4.47 -0.01 1.61 -0.21 -1.26 -1.46 119.66 122.80 1q81 s GLN 94 Ca 0.00 1.04 0.01 0.00 0.02 0.00 0.00 55.36 56.44 1q81 s GLN 94 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.75 1q81 s GLN 94 CO 0.00 0.58 -0.05 1.03 -2.12 0.00 0.00 175.29 174.73 1q81 s ARG 95 N -1.09 0.45 0.28 2.91 0.52 -0.93 -4.94 118.95 116.14 1q81 s ARG 95 Ca 0.34 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 55.09 1q81 s ARG 95 Cb -0.22 -0.45 -0.12 0.00 0.52 0.00 0.00 34.95 34.68 1q81 s ARG 95 CO 0.24 0.08 1.61 -2.30 0.02 0.00 0.00 175.30 174.95 1q81 n PRO 96 N 3.13 2.68 -0.11 3.54 -0.02 -1.26 -0.16 135.00 142.80 1q81 n PRO 96 Ca -0.15 0.96 -0.19 0.00 -2.02 0.00 0.00 63.50 62.10 1q81 n PRO 96 Cb 0.57 -2.74 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 1q81 n PRO 96 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1q81 n LEU 97 N 2.44 1.91 0.00 2.45 0.00 0.73 -4.80 117.00 119.72 1q81 n LEU 97 Ca 0.10 0.40 -0.02 0.00 0.00 0.00 0.00 56.01 56.49 1q81 n LEU 97 Cb 0.36 -0.84 0.01 0.00 0.00 0.00 0.00 43.42 42.95 1q81 n LEU 97 CO 0.64 0.12 0.30 0.41 0.00 0.00 0.00 177.39 178.86 1q81 n THR 98 N -4.40 0.00 -3.80 1.96 -1.04 -1.23 -5.02 114.28 100.75 1q81 n THR 98 Ca -0.32 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.32 1q81 n THR 98 Cb 0.65 0.32 -0.09 0.00 -1.82 0.00 0.00 70.33 69.40 1q81 n THR 98 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1q81 s GLU 99 N -2.02 0.66 -0.24 -2.82 2.02 -1.26 -2.26 118.70 112.78 1q81 s GLU 99 Ca 0.09 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1q81 s GLU 99 Cb -0.01 0.28 0.04 0.00 0.10 0.00 0.00 34.13 34.54 1q81 s GLU 99 CO 0.03 -0.19 -0.11 0.08 0.02 0.00 0.00 175.26 175.09 1q81 s VAL 100 N -1.86 2.38 0.56 2.63 1.01 0.17 -4.76 120.40 120.53 1q81 s VAL 100 Ca -0.10 -1.27 0.07 0.00 0.00 0.00 0.00 61.98 60.68 1q81 s VAL 100 Cb -0.04 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.15 1q81 s VAL 100 CO 0.00 0.18 0.54 0.26 0.00 0.00 0.00 175.10 176.09 1q81 s TRP 101 N 1.22 1.54 0.00 5.22 0.52 -1.26 -0.85 118.94 125.33 1q81 s TRP 101 Ca -0.03 -0.80 0.00 0.00 0.02 0.00 0.00 56.10 55.29 1q81 s TRP 101 Cb -0.17 -2.02 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 1q81 s TRP 101 CO -0.07 -0.72 0.00 0.25 0.02 0.00 0.00 176.95 176.43 1q81 n THR 102 N -1.94 0.00 0.00 2.01 -2.24 -1.21 -4.84 114.28 106.07 1q81 n THR 102 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1q81 n THR 102 Cb 0.63 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1q81 n THR 102 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1q81 n ASP 103 N -0.27 3.59 -4.58 3.42 8.00 -1.26 -4.97 116.55 120.47 1q81 n ASP 103 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1q81 n ASP 103 Cb 0.00 0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1q81 n ASP 103 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q81 s GLU 104 N -1.76 3.43 0.05 -1.24 2.02 -1.26 -5.00 118.70 114.93 1q81 s GLU 104 Ca 0.00 0.54 0.08 0.00 0.02 0.00 0.00 54.97 55.61 1q81 s GLU 104 Cb 0.00 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 30.13 1q81 s GLU 104 CO 0.00 -1.77 -0.21 -0.06 0.02 0.00 0.00 175.26 173.24 1q81 s PHE 105 N 5.63 2.48 0.28 1.61 0.40 -1.26 -4.93 117.98 122.18 1q81 s PHE 105 Ca 0.53 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 1q81 s PHE 105 Cb -0.11 -1.43 -0.11 0.00 0.51 0.00 0.00 43.02 41.89 1q81 s PHE 105 CO 0.27 0.23 1.56 -1.58 0.70 0.00 0.00 175.22 176.41 1q81 s HIS 106 N -0.91 2.82 0.34 0.36 5.65 -1.26 -4.83 115.29 117.47 1q81 s HIS 106 Ca 0.14 0.82 0.25 0.00 0.25 0.00 0.00 55.06 56.52 1q81 s HIS 106 Cb -0.10 -4.02 1.16 0.00 -1.18 0.00 0.00 32.58 28.44 1q81 s HIS 106 CO 0.05 -3.42 1.21 -1.13 -0.65 0.00 0.00 174.74 170.80 1q81 n SER 107 N 2.30 0.16 -1.41 9.88 3.41 -1.26 -0.86 113.62 125.85 1q81 n SER 107 Ca 0.08 1.07 -0.11 0.00 -0.26 0.00 0.00 58.87 59.65 1q81 n SER 107 Cb 0.38 -0.53 0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1q81 n SER 107 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q81 n GLU 108 N -4.23 2.50 0.02 4.33 1.02 -1.26 -4.60 120.64 118.42 1q81 n GLU 108 Ca 0.31 -3.61 0.14 0.00 -0.02 0.00 0.00 57.16 53.98 1q81 n GLU 108 Cb 1.22 -1.97 0.54 0.00 -0.02 0.00 0.00 31.44 31.21 1q81 n GLU 108 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1q81 n LEU 109 N -0.95 0.19 -0.17 -4.62 7.94 -0.04 -3.28 117.00 116.08 1q81 n LEU 109 Ca 0.35 0.45 0.14 0.00 -1.11 0.00 0.00 56.01 55.84 1q81 n LEU 109 Cb 0.88 -0.44 0.72 0.00 0.53 0.00 0.00 43.42 45.11 1q81 n LEU 109 CO 0.24 -0.01 0.97 -0.90 -1.11 0.00 0.00 177.39 176.59 1q81 n ASP 110 N -1.62 0.51 -0.10 1.96 5.75 -1.26 -2.59 116.55 119.20 1q81 n ASP 110 Ca 0.07 -1.26 0.15 0.00 -0.01 0.00 0.00 54.79 53.74 1q81 n ASP 110 Cb 0.35 -0.01 0.83 0.00 -1.03 0.00 0.00 41.12 41.27 1q81 n ASP 110 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1q81 n ARG 111 N -0.56 1.06 0.00 0.11 1.74 -1.20 -4.21 116.66 113.60 1q81 n ARG 111 Ca 0.20 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1q81 n ARG 111 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1q81 n ARG 111 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1q81 n THR 112 N -0.80 0.00 -3.73 0.55 -1.04 -1.19 -4.91 114.28 103.16 1q81 n THR 112 Ca 0.22 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.00 1q81 n THR 112 Cb 0.18 -0.55 -0.02 0.00 -1.82 0.00 0.00 70.33 68.11 1q81 n THR 112 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1q81 s LEU 113 N -4.66 3.11 -0.91 -4.42 1.43 -1.07 -5.05 118.68 107.12 1q81 s LEU 113 Ca 0.00 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.08 1q81 s LEU 113 Cb 0.00 -1.66 0.23 0.00 0.03 0.00 0.00 46.19 44.79 1q81 s LEU 113 CO 0.00 -0.82 0.82 -1.81 0.23 0.00 0.00 176.35 174.77 1q81 s ASP 114 N -4.17 6.31 0.08 2.29 1.01 -1.26 -4.42 116.67 116.50 1q81 s ASP 114 Ca 0.43 -3.46 -0.37 0.00 0.71 0.00 0.00 52.55 49.86 1q81 s ASP 114 Cb -0.02 -2.01 -0.18 0.00 1.01 0.00 0.00 42.92 41.72 1q81 s ASP 114 CO 0.25 -0.28 1.14 0.52 0.21 0.00 0.00 175.17 177.01 1q81 n VAL 115 N 2.76 0.33 -1.70 -1.27 0.31 -1.26 -4.87 118.33 112.63 1q81 n VAL 115 Ca 0.19 -0.08 -0.43 0.00 -0.01 0.00 0.00 64.34 64.01 1q81 n VAL 115 Cb 0.39 -0.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.86 1q81 n VAL 115 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1q81 n PRO 116 N 1.86 2.18 -0.01 5.55 -0.02 -1.26 -4.90 135.00 138.40 1q81 n PRO 116 Ca 0.18 0.77 0.01 0.00 -2.02 0.00 0.00 63.50 62.44 1q81 n PRO 116 Cb 0.16 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 1q81 n PRO 116 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1q81 n GLU 117 N 1.31 1.25 -3.55 -0.52 1.02 -1.26 -4.93 120.64 113.96 1q81 n GLU 117 Ca 0.08 -0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.96 1q81 n GLU 117 Cb 0.34 -1.10 -0.15 0.00 -0.02 0.00 0.00 31.44 30.52 1q81 n GLU 117 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q81 s ASP 118 N -2.82 2.03 -0.03 1.62 1.01 -1.26 -5.14 116.67 112.08 1q81 s ASP 118 Ca -0.02 -0.52 -0.02 0.00 0.71 0.00 0.00 52.55 52.70 1q81 s ASP 118 Cb 0.02 0.04 0.01 0.00 1.01 0.00 0.00 42.92 43.99 1q81 s ASP 118 CO 0.17 -0.35 0.07 -2.28 0.21 0.00 0.00 175.17 172.98 1q81 s HIS 119 N 2.22 -0.07 -0.80 4.23 5.65 -1.26 -5.11 115.29 120.16 1q81 s HIS 119 Ca 0.05 0.18 -0.15 0.00 0.25 0.00 0.00 55.06 55.39 1q81 s HIS 119 Cb -0.16 0.01 0.20 0.00 -1.18 0.00 0.00 32.58 31.45 1q81 s HIS 119 CO -0.14 -0.04 0.77 0.34 -0.65 0.00 0.00 174.74 175.02 1q81 s ASP 120 N 0.12 6.67 0.20 9.88 -1.08 -1.26 -4.93 116.67 126.26 1q81 s ASP 120 Ca -0.01 -2.50 -0.11 0.00 -0.52 0.00 0.00 52.55 49.42 1q81 s ASP 120 Cb -0.01 -2.23 0.21 0.00 -1.46 0.00 0.00 42.92 39.43 1q81 s ASP 120 CO -0.00 -0.66 1.79 -0.65 0.52 0.00 0.00 175.17 176.16 1q81 h PRO 121 N 8.03 0.55 -0.40 4.34 0.11 -1.91 -3.00 132.00 139.73 1q81 h PRO 121 Ca 0.05 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 1q81 h PRO 121 Cb 1.05 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1q81 h PRO 121 CO 0.82 0.37 -0.26 -0.44 -0.21 0.00 0.00 178.00 178.28 1q81 h ASP 122 N 0.57 0.92 -0.34 -2.05 5.19 -1.97 -0.35 116.42 118.39 1q81 h ASP 122 Ca 0.27 -0.43 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1q81 h ASP 122 Cb 0.21 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.43 1q81 h ASP 122 CO -0.20 1.15 0.17 0.00 -3.12 0.00 0.00 179.24 177.25 1q81 h ALA 123 N 0.80 0.42 0.45 3.45 0.00 -1.98 0.68 119.26 123.08 1q81 h ALA 123 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1q81 h ALA 123 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1q81 h ALA 123 CO 0.07 -0.19 -0.46 0.00 0.00 0.00 0.00 179.25 178.67 1q81 h ALA 124 N 1.17 -1.02 -0.81 0.00 0.00 -1.43 0.41 119.26 117.57 1q81 h ALA 124 Ca 0.14 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1q81 h ALA 124 Cb 0.05 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1q81 h ALA 124 CO -0.09 -1.11 0.56 1.49 0.00 0.00 0.00 179.25 180.09 1q81 h GLU 125 N -0.92 0.25 0.34 0.00 4.81 -0.51 -1.23 114.58 117.33 1q81 h GLU 125 Ca -0.05 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1q81 h GLU 125 Cb 0.81 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1q81 h GLU 125 CO -0.07 0.17 -0.16 1.49 -0.73 0.00 0.00 179.01 179.70 1q81 h GLU 126 N 0.26 -0.44 -0.89 1.92 4.81 0.17 -2.40 114.58 118.01 1q81 h GLU 126 Ca 0.41 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.90 1q81 h GLU 126 Cb 1.20 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.52 1q81 h GLU 126 CO -0.10 -0.14 0.12 0.37 -0.73 0.00 0.00 179.01 178.52 1q81 h GLN 127 N -0.99 0.11 0.44 1.92 4.15 0.72 0.10 115.11 121.56 1q81 h GLN 127 Ca -0.05 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1q81 h GLN 127 Cb 0.50 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1q81 h GLN 127 CO 0.08 0.07 -0.21 0.82 -1.93 0.00 0.00 178.83 177.65 1q81 h ILE 128 N 0.11 0.56 0.00 2.39 2.04 -1.29 -1.82 117.51 119.50 1q81 h ILE 128 Ca 0.54 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 1q81 h ILE 128 Cb 1.09 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1q81 h ILE 128 CO -0.75 0.03 -0.01 0.03 0.00 0.00 0.00 178.15 177.44 1q81 h ARG 129 N -0.68 0.00 0.00 2.37 3.08 -0.47 0.27 114.38 118.95 1q81 h ARG 129 Ca -0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1q81 h ARG 129 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1q81 h ARG 129 CO 0.10 0.01 -0.88 -0.44 -1.07 0.00 0.00 179.97 177.70 1q81 h ASP 130 N 0.00 0.00 -0.03 7.04 3.32 -0.67 -2.43 116.42 123.64 1q81 h ASP 130 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1q81 h ASP 130 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1q81 h ASP 130 CO 0.00 0.59 -0.10 0.00 -1.72 0.00 0.00 179.24 178.00 1q81 h ALA 131 N 1.41 0.06 -0.52 3.45 0.00 0.25 -2.38 119.26 121.54 1q81 h ALA 131 Ca -0.06 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1q81 h ALA 131 Cb 1.50 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1q81 h ALA 131 CO 0.07 -0.06 0.24 1.25 0.00 0.00 0.00 179.25 180.75 1q81 h HIS 132 N -0.43 0.44 -0.54 0.00 -0.00 -0.79 0.49 115.15 114.32 1q81 h HIS 132 Ca -0.00 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1q81 h HIS 132 Cb 0.72 -0.12 -0.06 0.00 -0.00 0.00 0.00 27.41 27.95 1q81 h HIS 132 CO 0.13 0.19 0.20 0.93 -0.00 0.00 0.00 177.93 179.39 1q81 h GLU 133 N 0.46 0.38 0.00 5.26 5.08 -1.42 0.36 114.58 124.70 1q81 h GLU 133 Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1q81 h GLU 133 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1q81 h GLU 133 CO -0.19 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 178.07 1q81 h ALA 134 N 1.35 1.00 -1.69 3.43 0.00 -0.76 -3.47 119.26 119.12 1q81 h ALA 134 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1q81 h ALA 134 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.09 1q81 h ALA 134 CO -0.25 0.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.28 1q81 n GLY 135 N 0.26 0.60 0.40 0.00 0.00 0.16 -4.94 105.19 101.66 1q81 n GLY 135 Ca 0.02 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.55 1q81 n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q81 n ASP 136 N 0.74 2.72 -4.67 1.61 8.00 -0.50 -4.97 116.55 119.49 1q81 n ASP 136 Ca -0.01 -2.33 -0.43 0.00 0.71 0.00 0.00 54.79 52.73 1q81 n ASP 136 Cb 0.52 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1q81 n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1q81 s LEU 137 N -1.58 4.16 0.58 0.64 2.96 -1.25 -0.81 118.68 123.39 1q81 s LEU 137 Ca 0.20 1.53 0.03 0.00 -0.22 0.00 0.00 54.13 55.67 1q81 s LEU 137 Cb 0.14 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.35 1q81 s LEU 137 CO 0.08 -0.66 0.81 -0.83 -1.32 0.00 0.00 176.35 174.43 1q81 s GLY 138 N 1.45 1.81 0.97 7.98 0.00 0.75 -4.74 107.32 115.54 1q81 s GLY 138 Ca 0.49 -1.58 -0.21 0.00 0.00 0.00 0.00 44.72 43.42 1q81 s GLY 138 CO 0.12 -1.21 -1.07 2.09 0.00 0.00 0.00 173.10 173.02 1q81 n ASP 139 N -2.41 -4.70 -4.14 1.64 5.75 -1.26 -4.19 116.55 107.24 1q81 n ASP 139 Ca 0.11 0.11 -0.28 0.00 -0.01 0.00 0.00 54.79 54.71 1q81 n ASP 139 Cb 0.60 -0.64 -0.17 0.00 -1.03 0.00 0.00 41.12 39.89 1q81 n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1q81 s LEU 140 N 7.74 1.90 0.07 -2.12 1.43 -1.26 -3.44 118.68 122.99 1q81 s LEU 140 Ca 0.37 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1q81 s LEU 140 Cb -0.06 -1.11 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1q81 s LEU 140 CO 0.74 0.12 -0.07 -0.13 0.23 0.00 0.00 176.35 177.24 1q81 s ARG 141 N 0.34 0.69 -0.20 1.70 0.52 -0.99 0.16 118.95 121.17 1q81 s ARG 141 Ca -0.13 -1.04 -0.09 0.00 -0.52 0.00 0.00 55.73 53.95 1q81 s ARG 141 Cb -0.15 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.00 1q81 s ARG 141 CO 0.05 0.02 0.10 -0.51 0.02 0.00 0.00 175.30 174.99 1q81 s LEU 142 N -2.29 4.01 -0.20 2.53 1.43 -0.12 0.05 118.68 124.08 1q81 s LEU 142 Ca 0.01 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 1q81 s LEU 142 Cb -0.03 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.16 1q81 s LEU 142 CO -0.02 0.16 1.18 -0.63 0.23 0.00 0.00 176.35 177.27 1q81 s ILE 143 N 0.46 4.42 0.46 -0.59 -1.09 0.19 -1.30 121.20 123.74 1q81 s ILE 143 Ca 0.06 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.21 1q81 s ILE 143 Cb -0.12 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1q81 s ILE 143 CO -0.00 -0.19 0.02 -0.89 -1.23 0.00 0.00 174.94 172.65 1q81 s THR 144 N 3.46 1.34 0.09 2.92 2.01 -0.84 -1.18 115.64 123.44 1q81 s THR 144 Ca 0.51 -2.00 -0.25 0.00 0.31 0.00 0.00 61.69 60.25 1q81 s THR 144 Cb -0.19 -2.46 0.08 0.00 0.01 0.00 0.00 72.50 69.94 1q81 s THR 144 CO 0.12 0.00 0.70 -1.38 -0.69 0.00 0.00 174.62 173.37 1q81 s HIS 145 N -2.90 -0.49 0.38 4.92 -3.43 -1.17 -1.68 115.29 110.92 1q81 s HIS 145 Ca 0.18 0.37 0.06 0.00 -0.80 0.00 0.00 55.06 54.88 1q81 s HIS 145 Cb 0.05 0.54 -0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1q81 s HIS 145 CO 0.09 -0.73 0.53 0.95 -2.00 0.00 0.00 174.74 173.58 1q81 s THR 146 N -3.29 3.63 -0.68 -5.38 -4.23 -1.01 -2.34 115.64 102.34 1q81 s THR 146 Ca 0.01 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1q81 s THR 146 Cb -0.01 -3.25 0.19 0.00 1.34 0.00 0.00 72.50 70.77 1q81 s THR 146 CO -0.10 -0.11 0.56 0.52 -0.54 0.00 0.00 174.62 174.96 1q81 n VAL 147 N -1.77 1.75 -0.03 2.29 0.31 -1.26 -4.32 118.33 115.30 1q81 n VAL 147 Ca 0.03 -4.93 0.23 0.00 -0.01 0.00 0.00 64.34 59.67 1q81 n VAL 147 Cb 0.58 -2.15 0.72 0.00 -0.91 0.00 0.00 33.84 32.08 1q81 n VAL 147 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1q81 h PRO 148 N 5.07 0.00 0.00 5.55 0.11 -1.84 0.12 132.00 141.01 1q81 h PRO 148 Ca 0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1q81 h PRO 148 Cb 0.73 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1q81 h PRO 148 CO 0.74 0.00 -0.14 0.22 -0.21 0.00 0.00 178.00 178.61 1q81 h ASP 149 N 0.00 0.00 1.09 -2.05 3.58 -1.80 0.09 116.42 117.33 1q81 h ASP 149 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1q81 h ASP 149 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1q81 h ASP 149 CO -0.00 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.50 1q81 h ALA 150 N 1.86 1.00 -3.25 -0.78 0.00 -1.14 -3.39 119.26 113.56 1q81 h ALA 150 Ca -0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1q81 h ALA 150 Cb 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.76 1q81 h ALA 150 CO 0.02 0.00 -0.60 0.08 0.00 0.00 0.00 179.25 178.75 1q81 s VAL 151 N -3.45 3.25 0.25 0.00 1.01 0.02 -4.99 120.40 116.49 1q81 s VAL 151 Ca 0.04 -1.77 -0.06 0.00 0.00 0.00 0.00 61.98 60.19 1q81 s VAL 151 Cb 0.09 -3.08 0.26 0.00 0.00 0.00 0.00 36.38 33.64 1q81 s VAL 151 CO 0.52 -0.47 1.93 -0.65 0.00 0.00 0.00 175.10 176.43 1q81 h PRO 152 N 8.05 1.32 0.00 2.72 0.11 -1.77 -2.70 132.00 139.72 1q81 h PRO 152 Ca -0.16 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1q81 h PRO 152 Cb 1.05 -0.30 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1q81 h PRO 152 CO 0.64 0.87 -0.10 0.77 -0.21 0.00 0.00 178.00 179.97 1q81 h SER 153 N 1.35 0.00 -3.63 -2.05 0.02 -1.86 -3.40 113.55 103.98 1q81 h SER 153 Ca 0.37 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.69 1q81 h SER 153 Cb -0.15 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.25 1q81 h SER 153 CO -0.08 0.10 -0.08 -0.69 -1.14 0.00 0.00 176.83 174.93 1q81 s VAL 154 N -4.20 5.09 0.40 2.27 1.01 -1.02 -4.88 120.40 119.07 1q81 s VAL 154 Ca -0.03 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.76 1q81 s VAL 154 Cb 0.13 -3.80 0.24 0.00 0.00 0.00 0.00 36.38 32.95 1q81 s VAL 154 CO 0.57 0.08 2.02 -0.65 0.00 0.00 0.00 175.10 177.12 1q81 h PRO 155 N 8.11 0.51 -7.23 2.72 0.11 -1.83 -3.45 132.00 130.92 1q81 h PRO 155 Ca -0.30 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.26 1q81 h PRO 155 Cb 1.15 -0.11 0.11 0.00 0.11 0.00 0.00 31.00 32.26 1q81 h PRO 155 CO 0.70 0.38 0.36 -1.59 -0.21 0.00 0.00 178.00 177.64 1q81 s LYS 156 N -5.35 2.60 0.00 1.05 -2.85 -1.26 -4.92 119.74 109.01 1q81 s LYS 156 Ca -0.08 1.34 0.00 0.00 -1.00 0.00 0.00 55.97 56.23 1q81 s LYS 156 Cb 0.17 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 34.01 1q81 s LYS 156 CO 0.74 -1.40 0.00 1.63 0.10 0.00 0.00 175.35 176.42 1q81 n LYS 157 N -2.77 1.71 -1.64 1.78 5.02 -1.26 -4.21 118.16 116.78 1q81 n LYS 157 Ca 0.10 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.93 1q81 n LYS 157 Cb 0.52 -0.74 -0.04 0.00 -0.02 0.00 0.00 35.03 34.75 1q81 n LYS 157 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1q81 n LYS 158 N -1.33 2.25 -2.06 1.97 4.81 -1.26 -4.51 118.16 118.02 1q81 n LYS 158 Ca 0.00 0.78 -0.35 0.00 -0.87 0.00 0.00 58.31 57.87 1q81 n LYS 158 Cb 0.24 -2.86 0.02 0.00 0.02 0.00 0.00 35.03 32.45 1q81 n LYS 158 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1q81 s PRO 159 N 4.88 3.10 -0.37 1.64 0.02 -1.26 -4.85 135.00 138.16 1q81 s PRO 159 Ca 0.95 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 63.46 1q81 s PRO 159 Cb -0.55 -1.97 -0.00 0.00 0.02 0.00 0.00 34.50 31.99 1q81 s PRO 159 CO 0.45 -1.06 0.26 -0.51 -0.33 0.00 0.00 177.00 175.82 1q81 s ASP 160 N -1.90 6.08 0.17 2.53 1.01 -1.26 -4.89 116.67 118.41 1q81 s ASP 160 Ca 0.73 -0.61 -0.12 0.00 0.71 0.00 0.00 52.55 53.26 1q81 s ASP 160 Cb -0.25 -2.15 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 1q81 s ASP 160 CO 0.32 -0.32 0.53 -0.69 0.21 0.00 0.00 175.17 175.22 1q81 s VAL 161 N 1.71 4.91 -0.28 -1.27 1.01 -1.26 -2.40 120.40 122.81 1q81 s VAL 161 Ca 0.06 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 1q81 s VAL 161 Cb -0.18 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.63 1q81 s VAL 161 CO 0.10 0.14 0.87 0.00 0.00 0.00 0.00 175.10 176.21 1q81 s MET 162 N -2.25 0.57 0.19 2.72 0.23 -0.68 -4.98 119.30 115.10 1q81 s MET 162 Ca 0.41 0.85 -0.30 0.00 -1.03 0.00 0.00 55.69 55.62 1q81 s MET 162 Cb -0.14 0.18 -0.08 0.00 -1.53 0.00 0.00 34.83 33.27 1q81 s MET 162 CO 0.20 -0.10 1.03 -2.00 -2.03 0.00 0.00 175.02 172.12 1q81 s GLU 163 N 1.03 4.69 -0.04 3.16 2.12 -1.26 -1.98 118.70 126.41 1q81 s GLU 163 Ca -0.05 1.61 -0.00 0.00 0.36 0.00 0.00 54.97 56.89 1q81 s GLU 163 Cb -0.05 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.08 1q81 s GLU 163 CO -0.12 0.23 0.01 0.99 -0.54 0.00 0.00 175.26 175.83 1q81 s THR 164 N -0.52 0.20 0.45 -1.70 2.01 -0.42 -4.96 115.64 110.70 1q81 s THR 164 Ca 0.46 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 1q81 s THR 164 Cb -0.27 -0.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 1q81 s THR 164 CO 0.34 0.18 1.34 -0.60 -0.69 0.00 0.00 174.62 175.19 1q81 s ARG 165 N 1.44 3.69 -0.32 4.92 3.52 -1.26 -0.94 118.95 130.00 1q81 s ARG 165 Ca -0.04 2.22 -0.06 0.00 -0.13 0.00 0.00 55.73 57.73 1q81 s ARG 165 Cb -0.13 -2.59 0.03 0.00 -1.56 0.00 0.00 34.95 30.70 1q81 s ARG 165 CO -0.03 -0.74 0.07 0.08 -0.81 0.00 0.00 175.30 173.88 1q81 s VAL 166 N -1.28 3.67 -0.09 7.11 1.01 0.12 -0.56 120.40 130.38 1q81 s VAL 166 Ca 0.62 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1q81 s VAL 166 Cb -0.39 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1q81 s VAL 166 CO 0.50 -0.08 0.03 -0.83 0.00 0.00 0.00 175.10 174.72 1q81 s GLY 167 N 1.40 1.92 0.00 4.51 0.00 -0.52 -4.47 107.32 110.17 1q81 s GLY 167 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1q81 s GLY 167 CO 0.02 -0.53 0.00 0.61 0.00 0.00 0.00 173.10 173.20 1q81 n GLY 168 N 2.09 2.41 0.00 0.20 0.00 -1.26 -0.04 105.19 108.59 1q81 n GLY 168 Ca -0.19 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1q81 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 169 N 0.00 -2.01 3.87 -0.02 0.00 -1.20 -4.65 105.19 101.18 1q81 n GLY 169 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1q81 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q81 s SER 170 N -2.13 6.10 0.15 1.61 1.04 -1.26 -4.88 113.70 114.34 1q81 s SER 170 Ca 0.00 1.40 -0.16 0.00 0.48 0.00 0.00 55.95 57.67 1q81 s SER 170 Cb 0.00 -2.42 0.02 0.00 0.10 0.00 0.00 66.02 63.73 1q81 s SER 170 CO 0.00 -0.95 1.80 -0.37 0.98 0.00 0.00 173.24 174.70 1q81 h VAL 171 N -0.38 1.05 -0.80 5.02 -1.51 -1.99 -0.90 116.25 116.74 1q81 h VAL 171 Ca -0.44 -0.16 0.03 0.00 -1.23 0.00 0.00 66.70 64.90 1q81 h VAL 171 Cb 1.20 0.54 -0.05 0.00 -2.13 0.00 0.00 31.29 30.85 1q81 h VAL 171 CO 0.62 0.08 0.51 0.28 -1.23 0.00 0.00 177.57 177.84 1q81 h SER 172 N 0.46 0.85 -0.21 4.19 0.02 -1.99 0.42 113.55 117.29 1q81 h SER 172 Ca 0.15 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 1q81 h SER 172 Cb -0.01 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1q81 h SER 172 CO -0.06 0.58 -0.36 0.44 -1.14 0.00 0.00 176.83 176.29 1q81 h ASP 173 N 1.00 0.78 1.61 3.07 3.32 -1.82 -2.73 116.42 121.65 1q81 h ASP 173 Ca 0.32 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1q81 h ASP 173 Cb 0.01 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1q81 h ASP 173 CO -0.11 1.06 -0.37 0.08 -1.72 0.00 0.00 179.24 178.18 1q81 h ARG 174 N 0.62 0.00 0.03 3.56 0.11 -0.71 -2.16 114.38 115.82 1q81 h ARG 174 Ca 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 1q81 h ARG 174 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1q81 h ARG 174 CO 0.08 0.00 -0.01 1.25 0.10 0.00 0.00 179.97 181.39 1q81 h LEU 175 N 0.00 -0.03 0.67 0.08 6.46 -0.10 -1.17 115.31 121.22 1q81 h LEU 175 Ca 0.00 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1q81 h LEU 175 Cb 0.99 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1q81 h LEU 175 CO 0.00 0.27 -0.47 0.44 -0.62 0.00 0.00 178.44 178.06 1q81 h ASP 176 N -0.34 -1.21 -0.99 1.25 3.32 -1.51 -1.98 116.42 114.96 1q81 h ASP 176 Ca -0.00 0.08 0.30 0.00 0.02 0.00 0.00 57.03 57.42 1q81 h ASP 176 Cb 0.32 0.37 -0.18 0.00 0.22 0.00 0.00 39.33 40.05 1q81 h ASP 176 CO 0.01 -0.69 0.11 -0.74 -1.72 0.00 0.00 179.24 176.21 1q81 h HIS 177 N -1.08 0.09 0.44 4.55 2.76 -1.36 0.20 115.15 120.75 1q81 h HIS 177 Ca -0.09 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 1q81 h HIS 177 Cb 0.89 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.96 1q81 h HIS 177 CO -0.13 -0.44 -0.36 0.00 -1.30 0.00 0.00 177.93 175.70 1q81 h ALA 178 N 1.99 -1.09 -0.92 5.26 0.00 -0.68 -1.68 119.26 122.14 1q81 h ALA 178 Ca 0.64 -0.15 0.26 0.00 0.00 0.00 0.00 54.91 55.65 1q81 h ALA 178 Cb 1.40 0.54 -0.14 0.00 0.00 0.00 0.00 17.79 19.59 1q81 h ALA 178 CO -0.90 -1.09 0.38 -0.07 0.00 0.00 0.00 179.25 177.57 1q81 h LEU 179 N -0.78 0.25 0.10 0.00 3.38 0.03 0.27 115.31 118.57 1q81 h LEU 179 Ca -0.06 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1q81 h LEU 179 Cb 0.65 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1q81 h LEU 179 CO 0.00 -0.10 -0.09 0.44 0.09 0.00 0.00 178.44 178.79 1q81 h ASP 180 N 0.30 -0.23 0.21 -0.43 3.32 -0.63 -0.18 116.42 118.78 1q81 h ASP 180 Ca 0.61 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.69 1q81 h ASP 180 Cb 1.26 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.85 1q81 h ASP 180 CO -0.60 -0.14 -0.40 0.40 -1.72 0.00 0.00 179.24 176.78 1q81 h ILE 181 N -0.21 0.20 0.09 0.35 2.04 0.40 -2.91 117.51 117.47 1q81 h ILE 181 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1q81 h ILE 181 Cb 0.19 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1q81 h ILE 181 CO -0.02 0.00 -0.19 0.58 0.00 0.00 0.00 178.15 178.52 1q81 h VAL 182 N -0.69 0.00 -0.64 1.67 2.07 -0.99 -2.82 116.25 114.86 1q81 h VAL 182 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1q81 h VAL 182 Cb 0.68 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 1q81 h VAL 182 CO -0.18 0.00 -0.20 -0.62 0.02 0.00 0.00 177.57 176.60 1q81 n GLU 183 N -3.53 -0.09 0.00 1.57 -0.58 -0.09 -2.25 120.64 115.66 1q81 n GLU 183 Ca -0.04 0.99 0.00 0.00 -0.42 0.00 0.00 57.16 57.69 1q81 n GLU 183 Cb 0.16 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1q81 n GLU 183 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1q81 n ASP 184 N -5.00 0.00 0.00 1.62 8.00 -1.11 -4.75 116.55 115.31 1q81 n ASP 184 Ca 0.09 0.48 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1q81 n ASP 184 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1q81 n ASP 184 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q81 n GLY 185 N -0.84 0.65 3.11 0.44 0.00 -0.95 -4.93 105.19 102.66 1q81 n GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q81 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 186 N 0.00 2.91 3.67 -0.02 0.00 -1.03 -4.53 105.19 106.19 1q81 n GLY 186 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1q81 n GLY 186 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q81 n GLU 187 N -2.00 2.71 -4.02 1.61 2.13 -1.26 0.23 120.64 120.04 1q81 n GLU 187 Ca 0.00 0.99 -0.09 0.00 0.66 0.00 0.00 57.16 58.72 1q81 n GLU 187 Cb 0.00 -2.90 -0.09 0.00 0.27 0.00 0.00 31.44 28.72 1q81 n GLU 187 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1q81 s HIS 188 N 3.65 0.48 0.12 4.31 -3.43 -0.62 -4.95 115.29 114.86 1q81 s HIS 188 Ca 0.87 -0.92 0.05 0.00 -0.80 0.00 0.00 55.06 54.25 1q81 s HIS 188 Cb -0.50 -0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 30.35 1q81 s HIS 188 CO 0.42 -0.52 -0.12 0.00 -2.00 0.00 0.00 174.74 172.52 1q81 s ALA 189 N -3.95 1.37 0.47 -1.38 0.00 -1.26 -1.70 121.76 115.31 1q81 s ALA 189 Ca 0.13 -1.33 0.30 0.00 0.00 0.00 0.00 51.96 51.06 1q81 s ALA 189 Cb 0.06 -0.00 1.39 0.00 0.00 0.00 0.00 23.12 24.57 1q81 s ALA 189 CO -0.05 -0.01 1.72 1.98 0.00 0.00 0.00 175.76 179.40 1q81 h MET 190 N 3.27 0.15 -0.33 0.00 4.05 -1.86 0.71 114.93 120.92 1q81 h MET 190 Ca -0.38 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 58.97 1q81 h MET 190 Cb 1.19 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.94 1q81 h MET 190 CO 0.56 0.10 -0.08 -0.91 0.23 0.00 0.00 176.91 176.80 1q81 h ASN 191 N 0.15 0.53 0.30 1.39 2.35 -1.96 0.27 115.58 118.61 1q81 h ASN 191 Ca 0.68 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.31 1q81 h ASN 191 Cb 2.26 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 40.49 1q81 h ASN 191 CO -0.21 0.65 0.00 0.47 -1.65 0.00 0.00 177.43 176.69 1q81 n ASP 192 N -4.22 0.00 0.00 5.81 8.00 0.25 -3.85 116.55 122.53 1q81 n ASP 192 Ca 0.01 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1q81 n ASP 192 Cb 0.30 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1q81 n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1q81 n ILE 193 N -1.33 0.00 -4.18 0.53 5.41 -0.94 -4.88 119.36 113.97 1q81 n ILE 193 Ca 0.06 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.58 1q81 n ILE 193 Cb 0.12 -0.83 -0.07 0.00 -0.71 0.00 0.00 39.64 38.15 1q81 n ILE 193 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1q81 s PHE 194 N -1.86 2.68 -0.03 1.39 0.40 0.91 -5.06 117.98 116.40 1q81 s PHE 194 Ca 0.00 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 1q81 s PHE 194 Cb 0.00 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 42.03 1q81 s PHE 194 CO 0.00 0.42 0.07 0.50 0.70 0.00 0.00 175.22 176.91 1q81 s ARG 195 N -3.79 0.03 0.23 0.44 6.06 -1.26 -4.27 118.95 116.39 1q81 s ARG 195 Ca 0.36 0.19 -0.30 0.00 -2.50 0.00 0.00 55.73 53.48 1q81 s ARG 195 Cb -0.03 -0.13 -0.15 0.00 0.06 0.00 0.00 34.95 34.70 1q81 s ARG 195 CO 0.22 -0.11 0.99 0.00 -2.50 0.00 0.00 175.30 173.90 1q81 n ALA 196 N 3.77 -0.92 0.00 6.12 0.00 -1.26 -2.00 120.51 126.22 1q81 n ALA 196 Ca -0.22 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1q81 n ALA 196 Cb 0.54 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1q81 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 197 N 1.63 3.17 3.88 0.00 0.00 0.32 -0.80 105.19 113.40 1q81 n GLY 197 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1q81 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 198 N -0.70 3.04 -0.06 1.61 2.02 -0.84 -3.73 118.70 120.03 1q81 s GLU 198 Ca 0.00 0.55 -0.02 0.00 0.02 0.00 0.00 54.97 55.52 1q81 s GLU 198 Cb 0.00 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 1q81 s GLU 198 CO 0.00 -0.92 0.06 0.71 0.02 0.00 0.00 175.26 175.13 1q81 s TYR 199 N -3.30 3.30 0.02 1.61 1.51 -1.26 -0.76 117.35 118.47 1q81 s TYR 199 Ca 0.57 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.91 1q81 s TYR 199 Cb -0.11 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1q81 s TYR 199 CO 0.52 0.56 -0.04 0.00 -1.11 0.00 0.00 175.55 175.49 1q81 s ALA 200 N -1.03 0.23 -0.36 3.71 0.00 0.22 -2.35 121.76 122.19 1q81 s ALA 200 Ca 0.17 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 1q81 s ALA 200 Cb -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 1q81 s ALA 200 CO 0.07 -0.07 0.55 -0.51 0.00 0.00 0.00 175.76 175.79 1q81 s ASP 201 N -1.09 6.34 -0.39 0.00 1.01 0.13 -0.07 116.67 122.59 1q81 s ASP 201 Ca -0.10 -0.01 -0.18 0.00 0.71 0.00 0.00 52.55 52.97 1q81 s ASP 201 Cb -0.07 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1q81 s ASP 201 CO -0.00 -0.52 0.47 -0.69 0.21 0.00 0.00 175.17 174.64 1q81 s VAL 202 N 2.48 5.04 0.54 -1.27 1.01 -0.75 -2.56 120.40 124.89 1q81 s VAL 202 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1q81 s VAL 202 Cb -0.15 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.24 1q81 s VAL 202 CO 0.14 -0.35 0.78 0.00 0.00 0.00 0.00 175.10 175.67 1q81 s ALA 203 N 2.28 3.73 0.00 5.51 0.00 0.45 -0.93 121.76 132.80 1q81 s ALA 203 Ca 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1q81 s ALA 203 Cb -0.16 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1q81 s ALA 203 CO 0.14 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1q81 n GLY 204 N -2.34 3.43 3.57 0.00 0.00 -0.62 -2.06 105.19 107.18 1q81 n GLY 204 Ca 0.06 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1q81 n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q81 s VAL 205 N -2.00 4.57 0.87 1.61 1.01 -1.26 -1.07 120.40 124.14 1q81 s VAL 205 Ca 0.00 0.81 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 1q81 s VAL 205 Cb 0.00 -4.35 0.12 0.00 0.00 0.00 0.00 36.38 32.15 1q81 s VAL 205 CO 0.00 -0.68 0.20 0.35 0.00 0.00 0.00 175.10 174.97 1q81 n THR 206 N 6.16 0.00 -2.69 3.92 -2.24 0.43 -3.76 114.28 116.10 1q81 n THR 206 Ca 0.05 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1q81 n THR 206 Cb 0.48 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1q81 n THR 206 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1q81 s LYS 207 N -3.06 4.64 0.25 -0.78 1.02 -1.26 -3.35 119.74 117.20 1q81 s LYS 207 Ca 0.26 1.48 -0.21 0.00 0.02 0.00 0.00 55.97 57.52 1q81 s LYS 207 Cb -0.04 -3.39 -0.09 0.00 -0.52 0.00 0.00 37.83 33.79 1q81 s LYS 207 CO 0.25 0.11 0.78 0.20 -0.92 0.00 0.00 175.35 175.77 1q81 s GLY 208 N 0.30 2.64 -0.05 -3.33 0.00 -1.26 -2.79 107.32 102.84 1q81 s GLY 208 Ca 0.49 0.25 0.11 0.00 0.00 0.00 0.00 44.72 45.56 1q81 s GLY 208 CO 0.30 0.62 1.09 0.28 0.00 0.00 0.00 173.10 175.38 1q81 n LYS 209 N 0.63 0.41 0.00 2.90 5.02 -0.05 -4.88 118.16 122.18 1q81 n LYS 209 Ca -0.01 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 1q81 n LYS 209 Cb 0.51 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1q81 n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q81 n GLY 210 N -0.29 1.41 3.76 0.72 0.00 -1.21 -4.52 105.19 105.06 1q81 n GLY 210 Ca 0.06 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1q81 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q81 s THR 211 N 0.00 4.40 0.08 2.61 -4.23 -1.24 0.05 115.64 117.30 1q81 s THR 211 Ca 0.00 1.79 0.02 0.00 -1.18 0.00 0.00 61.69 62.32 1q81 s THR 211 Cb 0.00 -4.18 -0.04 0.00 1.34 0.00 0.00 72.50 69.62 1q81 s THR 211 CO 0.00 0.47 -0.07 -1.10 -0.54 0.00 0.00 174.62 173.38 1q81 s GLN 212 N -0.84 0.72 0.66 3.99 -1.52 -0.21 -4.90 119.66 117.56 1q81 s GLN 212 Ca 0.38 -1.13 -0.13 0.00 -1.95 0.00 0.00 55.36 52.53 1q81 s GLN 212 Cb -0.23 -0.22 -0.00 0.00 -0.22 0.00 0.00 33.01 32.34 1q81 s GLN 212 CO 0.27 0.00 1.07 0.20 -0.25 0.00 0.00 175.29 176.59 1q81 s GLY 213 N -2.53 1.94 0.29 3.09 0.00 -1.26 -2.75 107.32 106.10 1q81 s GLY 213 Ca 0.04 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.13 1q81 s GLY 213 CO -0.03 0.65 1.73 -2.55 0.00 0.00 0.00 173.10 172.90 1q81 h PRO 214 N -0.21 0.52 -0.63 2.90 0.11 -1.82 0.43 132.00 133.30 1q81 h PRO 214 Ca -0.45 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.75 1q81 h PRO 214 Cb 1.22 -0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.10 1q81 h PRO 214 CO 0.55 0.35 -0.18 0.28 -0.21 0.00 0.00 178.00 178.79 1q81 h VAL 215 N 0.54 0.34 0.10 3.15 2.07 -1.81 1.24 116.25 121.88 1q81 h VAL 215 Ca 0.56 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.76 1q81 h VAL 215 Cb 0.99 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1q81 h VAL 215 CO -0.46 0.00 -1.72 0.50 0.02 0.00 0.00 177.57 175.91 1q81 h LYS 216 N -0.02 0.20 -0.07 1.57 3.64 -1.61 -1.17 116.57 119.12 1q81 h LYS 216 Ca 0.30 -0.35 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1q81 h LYS 216 Cb 0.48 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1q81 h LYS 216 CO -0.66 1.01 -0.61 -0.09 -2.27 0.00 0.00 179.45 176.84 1q81 h ARG 217 N 0.06 0.23 0.00 1.90 2.43 0.38 -3.37 114.38 116.00 1q81 h ARG 217 Ca -0.31 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1q81 h ARG 217 Cb 2.02 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1q81 h ARG 217 CO 0.12 0.76 0.00 0.91 -1.51 0.00 0.00 179.97 180.26 1q81 n TRP 218 N -3.87 0.00 -2.15 2.20 7.02 0.42 -5.01 117.44 116.06 1q81 n TRP 218 Ca -0.02 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.38 1q81 n TRP 218 Cb 0.62 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.51 1q81 n TRP 218 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1q81 n GLY 219 N 0.17 0.07 3.87 6.99 0.00 -0.44 -3.04 105.19 112.81 1q81 n GLY 219 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1q81 n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q81 s VAL 220 N -2.37 4.72 0.97 1.61 -7.23 -1.22 -4.88 120.40 111.98 1q81 s VAL 220 Ca 0.00 0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 60.83 1q81 s VAL 220 Cb -0.00 -3.77 0.17 0.00 0.56 0.00 0.00 36.38 33.34 1q81 s VAL 220 CO 0.00 -0.71 1.09 -1.10 -0.31 0.00 0.00 175.10 174.06 1q81 s GLN 221 N -4.24 0.68 0.60 4.82 -0.21 -1.26 -4.38 119.66 115.67 1q81 s GLN 221 Ca 0.53 0.89 0.01 0.00 0.02 0.00 0.00 55.36 56.82 1q81 s GLN 221 Cb -0.10 -1.74 0.06 0.00 1.00 0.00 0.00 33.01 32.23 1q81 s GLN 221 CO 0.37 -2.66 0.85 0.15 -2.12 0.00 0.00 175.29 171.87 1q81 s LYS 222 N -4.80 2.28 0.19 2.91 1.02 -1.26 -4.83 119.74 115.25 1q81 s LYS 222 Ca 0.65 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 1q81 s LYS 222 Cb -0.20 -2.44 -0.08 0.00 -0.52 0.00 0.00 37.83 34.59 1q81 s LYS 222 CO 0.59 -0.94 1.16 1.03 -0.92 0.00 0.00 175.35 176.26 1q81 s ARG 223 N -4.88 4.53 0.61 1.68 1.81 0.13 -4.99 118.95 117.84 1q81 s ARG 223 Ca 0.60 1.82 0.09 0.00 -1.72 0.00 0.00 55.73 56.53 1q81 s ARG 223 Cb -0.09 -3.25 0.10 0.00 -0.45 0.00 0.00 34.95 31.27 1q81 s ARG 223 CO 0.40 -0.01 0.84 0.15 -0.68 0.00 0.00 175.30 175.99 1q81 s LYS 224 N -0.39 2.19 0.00 3.54 -0.14 -1.26 -4.18 119.74 119.49 1q81 s LYS 224 Ca 0.51 -1.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 1q81 s LYS 224 Cb -0.32 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 1q81 s LYS 224 CO 0.37 -0.98 0.00 0.41 -0.76 0.00 0.00 175.35 174.38 1q81 n GLY 225 N -2.33 0.84 0.27 -3.33 0.00 -1.26 -1.42 105.19 97.95 1q81 n GLY 225 Ca 0.17 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1q81 n GLY 225 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1q81 h LYS 226 N 0.00 0.00 -0.04 1.61 3.64 -2.02 -1.92 116.57 117.85 1q81 h LYS 226 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1q81 h LYS 226 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1q81 h LYS 226 CO 0.00 0.06 0.03 0.45 -2.27 0.00 0.00 179.45 177.72 1q81 h HIS 227 N 0.00 0.00 0.00 1.91 3.86 -1.59 -1.44 115.15 117.88 1q81 h HIS 227 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1q81 h HIS 227 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1q81 h HIS 227 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1q81 n ALA 228 N -2.39 2.23 0.89 2.45 0.00 -0.72 -3.29 120.51 119.67 1q81 n ALA 228 Ca -0.02 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1q81 n ALA 228 Cb 0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.07 1q81 n ALA 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q81 n ARG 229 N -1.74 1.04 0.00 0.00 1.74 -0.55 -4.56 116.66 112.59 1q81 n ARG 229 Ca 0.06 -0.37 0.14 0.00 -0.77 0.00 0.00 57.85 56.92 1q81 n ARG 229 Cb 0.34 -1.39 0.70 0.00 -1.02 0.00 0.00 32.46 31.10 1q81 n ARG 229 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1q81 n GLN 230 N -0.90 0.29 0.00 5.56 1.13 -1.21 -4.85 117.38 117.41 1q81 n GLN 230 Ca 0.05 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1q81 n GLN 230 Cb 0.34 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1q81 n GLN 230 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q81 n GLY 231 N 1.36 0.78 2.99 1.08 0.00 -1.26 -5.09 105.19 105.04 1q81 n GLY 231 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1q81 n GLY 231 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1q81 s TRP 232 N -1.56 1.41 0.00 1.61 0.51 -1.26 -5.01 118.94 114.64 1q81 s TRP 232 Ca 0.00 -0.56 0.00 0.00 -2.12 0.00 0.00 56.10 53.42 1q81 s TRP 232 Cb 0.00 -1.08 0.00 0.00 -0.81 0.00 0.00 33.47 31.58 1q81 s TRP 232 CO 0.00 -0.33 0.00 0.54 -0.51 0.00 0.00 176.95 176.65 1q81 n ARG 233 N 4.10 0.00 -1.86 4.98 1.74 -1.26 -4.10 116.66 120.25 1q81 n ARG 233 Ca -0.21 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.81 1q81 n ARG 233 Cb 0.51 -0.65 0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1q81 n ARG 233 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q81 n ARG 234 N -2.42 2.08 -4.66 5.56 1.74 -1.26 0.22 116.66 117.91 1q81 n ARG 234 Ca 0.00 -3.45 -0.31 0.00 -0.77 0.00 0.00 57.85 53.32 1q81 n ARG 234 Cb 0.34 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1q81 n ARG 234 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1q81 s ARG 235 N -2.99 2.14 0.55 5.56 0.52 -1.26 -4.59 118.95 118.89 1q81 s ARG 235 Ca 0.39 -0.94 -0.16 0.00 -0.52 0.00 0.00 55.73 54.50 1q81 s ARG 235 Cb 0.37 -2.23 -0.06 0.00 0.52 0.00 0.00 34.95 33.56 1q81 s ARG 235 CO -0.04 0.55 1.02 0.96 0.02 0.00 0.00 175.30 177.81 1q81 s ILE 236 N -0.92 4.23 0.09 1.52 -4.36 -1.26 -4.75 121.20 115.77 1q81 s ILE 236 Ca 0.15 1.05 -0.24 0.00 -0.26 0.00 0.00 60.65 61.34 1q81 s ILE 236 Cb -0.11 -3.58 -0.08 0.00 1.25 0.00 0.00 42.46 39.94 1q81 s ILE 236 CO 0.05 -0.64 1.39 1.23 0.24 0.00 0.00 174.94 177.22 1q81 h GLY 237 N 0.64 -1.28 -3.50 6.27 0.00 -2.00 -3.45 103.07 99.75 1q81 h GLY 237 Ca -0.47 0.76 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 1q81 h GLY 237 CO 0.60 -0.29 -0.19 0.54 0.00 0.00 0.00 176.54 177.19 1q81 s ASN 238 N -4.42 -0.14 -0.01 0.19 4.22 -1.26 -5.01 114.94 108.51 1q81 s ASN 238 Ca -0.10 -0.26 0.06 0.00 -2.14 0.00 0.00 52.86 50.41 1q81 s ASN 238 Cb 0.06 0.40 0.18 0.00 1.28 0.00 0.00 41.25 43.17 1q81 s ASN 238 CO 0.44 -0.71 1.10 0.18 -2.04 0.00 0.00 177.10 176.08 1q81 n LEU 239 N 0.25 1.23 0.00 3.54 4.77 -1.26 -4.96 117.00 120.57 1q81 n LEU 239 Ca -0.17 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1q81 n LEU 239 Cb 0.61 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1q81 n LEU 239 CO 0.20 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1q81 n GLY 240 N 0.72 0.98 3.89 -0.72 0.00 -1.26 -4.42 105.19 104.38 1q81 n GLY 240 Ca 0.07 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 1q81 n GLY 240 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q81 s PRO 241 N -1.08 2.97 0.14 1.61 0.04 -1.26 -4.98 135.00 132.44 1q81 s PRO 241 Ca 0.00 0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.21 1q81 s PRO 241 Cb 0.00 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1q81 s PRO 241 CO 0.00 -0.91 1.63 2.35 0.04 0.00 0.00 177.00 180.11 1q81 h TRP 242 N -0.52 -0.72 -4.28 0.56 2.91 -1.99 -3.41 115.95 108.50 1q81 h TRP 242 Ca -0.45 0.03 -0.65 0.00 1.13 0.00 0.00 58.89 58.95 1q81 h TRP 242 Cb 1.24 0.34 -0.31 0.00 -0.51 0.00 0.00 29.16 29.93 1q81 h TRP 242 CO 0.52 -0.35 -0.87 -0.80 -1.03 0.00 0.00 178.44 175.91 1q81 s ASN 243 N -4.96 2.77 0.46 2.65 0.01 -1.26 -3.00 114.94 111.60 1q81 s ASN 243 Ca -0.15 -0.44 -0.24 0.00 -0.71 0.00 0.00 52.86 51.32 1q81 s ASN 243 Cb 0.11 -0.51 -0.07 0.00 0.41 0.00 0.00 41.25 41.18 1q81 s ASN 243 CO 0.67 0.26 1.31 -2.16 -1.51 0.00 0.00 177.10 175.66 1q81 s PRO 244 N -0.35 3.69 -1.49 -0.60 0.04 -1.26 -5.06 135.00 129.96 1q81 s PRO 244 Ca 0.03 2.14 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 1q81 s PRO 244 Cb -0.11 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1q81 s PRO 244 CO 0.01 -0.72 2.41 -1.13 0.04 0.00 0.00 177.00 177.61 1q81 n SER 245 N -0.32 5.10 -3.56 6.66 3.41 -1.16 -4.75 113.62 119.01 1q81 n SER 245 Ca 0.06 -2.77 -0.08 0.00 -0.26 0.00 0.00 58.87 55.83 1q81 n SER 245 Cb 0.44 -1.62 -0.03 0.00 -0.26 0.00 0.00 64.21 62.74 1q81 n SER 245 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q81 s ARG 246 N 2.97 0.59 -0.32 4.33 1.70 -1.26 -5.13 118.95 121.83 1q81 s ARG 246 Ca 0.53 -0.08 -0.21 0.00 -0.47 0.00 0.00 55.73 55.50 1q81 s ARG 246 Cb 0.15 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 1q81 s ARG 246 CO -0.08 -0.23 0.65 0.08 -1.08 0.00 0.00 175.30 174.64 1q81 s VAL 247 N -2.14 4.91 0.14 4.99 1.01 -1.26 -4.91 120.40 123.13 1q81 s VAL 247 Ca 0.04 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1q81 s VAL 247 Cb -0.01 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1q81 s VAL 247 CO -0.04 -0.20 1.23 -0.13 0.00 0.00 0.00 175.10 175.96 1q81 s ARG 248 N 2.68 4.45 0.63 2.72 0.52 -1.26 -4.93 118.95 123.76 1q81 s ARG 248 Ca 0.26 1.87 0.28 0.00 -0.52 0.00 0.00 55.73 57.62 1q81 s ARG 248 Cb -0.15 -3.28 1.50 0.00 0.52 0.00 0.00 34.95 33.55 1q81 s ARG 248 CO 0.13 -0.19 1.87 0.66 0.02 0.00 0.00 175.30 177.79 1q81 h SER 249 N 5.97 0.00 0.41 0.23 4.64 -1.98 -1.62 113.55 121.20 1q81 h SER 249 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1q81 h SER 249 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1q81 h SER 249 CO 0.78 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.09 1q81 n THR 250 N -3.25 0.43 -2.92 2.95 -2.24 -1.26 -4.78 114.28 103.21 1q81 n THR 250 Ca 0.03 0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 1q81 n THR 250 Cb 0.54 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1q81 n THR 250 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1q81 s VAL 251 N -2.63 4.94 -0.06 2.28 0.11 -0.61 -4.99 120.40 119.43 1q81 s VAL 251 Ca 0.18 1.63 -0.35 0.00 -2.93 0.00 0.00 61.98 60.51 1q81 s VAL 251 Cb 0.13 -4.13 -0.13 0.00 -1.53 0.00 0.00 36.38 30.72 1q81 s VAL 251 CO 0.31 0.13 1.79 -0.81 -3.33 0.00 0.00 175.10 173.19 1q81 n PRO 252 N 4.52 2.00 -4.15 1.54 -0.04 -1.26 -4.97 135.00 132.63 1q81 n PRO 252 Ca 0.03 0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 64.12 1q81 n PRO 252 Cb 0.50 -2.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 1q81 n PRO 252 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1q81 s GLN 253 N 3.33 0.96 0.78 0.54 -0.21 -1.26 -4.93 119.66 118.88 1q81 s GLN 253 Ca 0.91 -1.46 -0.13 0.00 0.02 0.00 0.00 55.36 54.70 1q81 s GLN 253 Cb -0.75 0.25 0.07 0.00 1.00 0.00 0.00 33.01 33.57 1q81 s GLN 253 CO 0.51 -0.28 1.17 -1.14 -2.12 0.00 0.00 175.29 173.43 1q81 s GLN 254 N -4.06 1.92 0.00 2.91 -0.44 -1.26 -4.56 119.66 114.17 1q81 s GLN 254 Ca 0.26 1.60 0.00 0.00 -2.50 0.00 0.00 55.36 54.72 1q81 s GLN 254 Cb 0.07 -1.82 0.00 0.00 -1.64 0.00 0.00 33.01 29.62 1q81 s GLN 254 CO 0.03 -1.97 0.00 0.41 0.50 0.00 0.00 175.29 174.26 1q81 n GLY 255 N 0.07 -0.94 3.65 2.59 0.00 -1.11 -4.98 105.19 104.48 1q81 n GLY 255 Ca 0.12 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1q81 n GLY 255 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q81 s GLN 256 N -0.76 4.14 -0.11 1.61 -0.44 -1.26 -1.05 119.66 121.78 1q81 s GLN 256 Ca 0.00 1.53 0.02 0.00 -2.50 0.00 0.00 55.36 54.41 1q81 s GLN 256 Cb 0.00 -3.79 0.01 0.00 -1.64 0.00 0.00 33.01 27.59 1q81 s GLN 256 CO 0.00 -0.83 -0.18 0.95 0.50 0.00 0.00 175.29 175.73 1q81 s THR 257 N 3.75 1.71 0.00 -0.34 -4.23 0.11 -4.62 115.64 112.02 1q81 s THR 257 Ca 0.55 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1q81 s THR 257 Cb -0.20 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1q81 s THR 257 CO 0.17 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 1q81 n GLY 258 N 4.05 0.60 3.61 3.99 0.00 -1.26 -0.88 105.19 115.31 1q81 n GLY 258 Ca -0.20 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 1q81 n GLY 258 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q81 n TYR 259 N 0.42 -2.01 -4.39 1.61 9.36 -1.12 -4.74 117.16 116.30 1q81 n TYR 259 Ca 0.00 0.87 -0.27 0.00 3.32 0.00 0.00 57.90 61.82 1q81 n TYR 259 Cb 0.00 -4.62 -0.12 0.00 -0.63 0.00 0.00 39.34 33.96 1q81 n TYR 259 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1q81 s HIS 260 N -3.56 2.24 0.24 2.98 3.76 -1.26 -1.69 115.29 117.99 1q81 s HIS 260 Ca 0.01 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.24 1q81 s HIS 260 Cb -0.01 -1.17 -0.09 0.00 1.11 0.00 0.00 32.58 32.42 1q81 s HIS 260 CO 0.78 0.38 0.97 -1.14 -0.85 0.00 0.00 174.74 174.89 1q81 s GLN 261 N -2.28 4.81 -0.05 1.40 0.74 -1.26 -0.43 119.66 122.59 1q81 s GLN 261 Ca 0.16 1.55 -0.02 0.00 0.05 0.00 0.00 55.36 57.09 1q81 s GLN 261 Cb -0.09 -3.27 0.04 0.00 1.10 0.00 0.00 33.01 30.79 1q81 s GLN 261 CO 0.07 0.45 0.11 1.03 -0.55 0.00 0.00 175.29 176.40 1q81 s ARG 262 N -1.19 0.05 -0.54 1.67 1.81 -0.23 -4.92 118.95 115.59 1q81 s ARG 262 Ca 0.42 0.32 -0.10 0.00 -1.72 0.00 0.00 55.73 54.65 1q81 s ARG 262 Cb -0.27 -0.21 0.14 0.00 -0.45 0.00 0.00 34.95 34.16 1q81 s ARG 262 CO 0.34 -0.17 0.43 0.99 -0.68 0.00 0.00 175.30 176.20 1q81 s THR 263 N 1.19 4.47 -0.60 0.02 2.01 -1.26 -1.58 115.64 119.88 1q81 s THR 263 Ca -0.09 -1.97 -0.25 0.00 0.31 0.00 0.00 61.69 59.69 1q81 s THR 263 Cb -0.12 -3.90 0.04 0.00 0.01 0.00 0.00 72.50 68.53 1q81 s THR 263 CO -0.05 -0.83 1.05 -0.70 -0.69 0.00 0.00 174.62 173.39 1q81 s GLU 264 N 1.08 3.32 0.62 4.92 2.12 -0.11 -4.89 118.70 125.76 1q81 s GLU 264 Ca 0.08 -0.24 -0.18 0.00 0.36 0.00 0.00 54.97 55.00 1q81 s GLU 264 Cb -0.24 -4.09 -0.02 0.00 0.26 0.00 0.00 34.13 30.04 1q81 s GLU 264 CO -0.02 -1.67 1.19 -0.51 -0.54 0.00 0.00 175.26 173.72 1q81 s LEU 265 N 4.43 3.58 -1.28 2.70 1.02 -1.26 -1.81 118.68 126.07 1q81 s LEU 265 Ca 0.32 2.33 -0.10 0.00 0.02 0.00 0.00 54.13 56.71 1q81 s LEU 265 Cb -0.11 -4.59 -0.00 0.00 0.02 0.00 0.00 46.19 41.50 1q81 s LEU 265 CO 0.19 -1.70 0.61 0.59 0.02 0.00 0.00 176.35 176.06 1q81 n ASN 266 N -1.86 -2.60 -4.73 2.29 3.02 -1.25 -4.94 115.26 105.19 1q81 n ASN 266 Ca 0.13 -1.01 -0.38 0.00 -0.03 0.00 0.00 54.58 53.30 1q81 n ASN 266 Cb 0.50 -3.23 -0.06 0.00 -0.61 0.00 0.00 39.78 36.38 1q81 n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1q81 s LYS 267 N -6.29 4.31 -0.08 3.52 -0.14 0.89 -4.79 119.74 117.16 1q81 s LYS 267 Ca 0.22 0.48 -0.25 0.00 -1.36 0.00 0.00 55.97 55.06 1q81 s LYS 267 Cb -0.08 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1q81 s LYS 267 CO 0.87 0.21 0.78 0.50 -0.76 0.00 0.00 175.35 176.96 1q81 s ARG 268 N 0.43 4.42 -0.66 1.68 3.52 -1.26 0.73 118.95 127.81 1q81 s ARG 268 Ca 0.27 1.01 -0.25 0.00 -0.13 0.00 0.00 55.73 56.62 1q81 s ARG 268 Cb -0.16 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 29.80 1q81 s ARG 268 CO 0.11 -0.05 1.11 -0.51 -0.81 0.00 0.00 175.30 175.15 1q81 s LEU 269 N 1.17 3.73 0.40 -0.88 1.43 0.06 -1.23 118.68 123.36 1q81 s LEU 269 Ca 0.40 -0.52 0.19 0.00 -1.03 0.00 0.00 54.13 53.17 1q81 s LEU 269 Cb -0.18 -2.65 0.84 0.00 0.03 0.00 0.00 46.19 44.24 1q81 s LEU 269 CO 0.19 -1.57 1.82 0.40 0.23 0.00 0.00 176.35 177.42 1q81 h ILE 270 N 6.03 0.91 0.00 -0.59 1.08 -1.08 0.94 117.51 124.80 1q81 h ILE 270 Ca -0.28 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 62.92 1q81 h ILE 270 Cb 1.06 1.76 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1q81 h ILE 270 CO 1.20 0.32 0.00 -0.67 -0.69 0.00 0.00 178.15 178.31 1q81 n ASP 271 N -3.68 0.00 -4.04 1.72 2.03 -1.18 -4.60 116.55 106.80 1q81 n ASP 271 Ca -0.01 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.98 1q81 n ASP 271 Cb 0.43 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.68 1q81 n ASP 271 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1q81 s ILE 272 N -1.24 2.00 0.00 5.18 1.01 -1.26 -0.27 121.20 126.62 1q81 s ILE 272 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.16 1q81 s ILE 272 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1q81 s ILE 272 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1q81 n GLY 273 N 4.50 5.30 3.64 6.18 0.00 -0.89 -4.98 105.19 118.94 1q81 n GLY 273 Ca -0.14 -1.41 -0.06 0.00 0.00 0.00 0.00 46.02 44.40 1q81 n GLY 273 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q81 s GLU 274 N 2.77 0.31 0.00 1.61 2.12 -1.25 -2.14 118.70 122.11 1q81 s GLU 274 Ca 0.00 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.68 1q81 s GLU 274 Cb 0.00 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1q81 s GLU 274 CO 0.00 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1q81 n GLY 275 N 1.86 0.42 0.09 -1.50 0.00 0.13 -4.78 105.19 101.41 1q81 n GLY 275 Ca -0.11 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 43.94 1q81 n GLY 275 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q81 n ASP 276 N 0.00 2.13 -0.33 1.61 5.75 -1.26 -1.25 116.55 123.20 1q81 n ASP 276 Ca 0.00 -2.89 -0.02 0.00 -0.01 0.00 0.00 54.79 51.87 1q81 n ASP 276 Cb 0.00 -0.37 0.10 0.00 -1.03 0.00 0.00 41.12 39.82 1q81 n ASP 276 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1q81 h GLU 277 N 0.00 1.14 0.00 0.11 5.08 -1.86 -2.80 114.58 116.25 1q81 h GLU 277 Ca 0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1q81 h GLU 277 Cb 0.98 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1q81 h GLU 277 CO 0.00 0.75 -0.29 -1.00 -1.00 0.00 0.00 179.01 177.48 1q81 h PRO 278 N 1.17 0.00 -6.68 2.33 0.13 -1.92 -3.47 132.00 123.57 1q81 h PRO 278 Ca 0.34 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.89 1q81 h PRO 278 Cb -0.07 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.19 1q81 h PRO 278 CO -0.09 0.29 0.24 2.41 -0.23 0.00 0.00 178.00 180.61 1q81 n THR 279 N -3.21 2.44 -3.72 1.56 -1.04 -1.06 -4.84 114.28 104.42 1q81 n THR 279 Ca 0.02 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.25 1q81 n THR 279 Cb 0.60 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.84 1q81 n THR 279 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1q81 s VAL 280 N -1.24 5.22 0.22 12.58 1.01 -1.26 -4.69 120.40 132.24 1q81 s VAL 280 Ca 0.62 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 1q81 s VAL 280 Cb -0.56 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1q81 s VAL 280 CO 0.57 -0.11 1.50 -1.81 0.00 0.00 0.00 175.10 175.26 1q81 s ASP 281 N -2.99 6.59 0.00 3.32 1.01 0.87 -2.04 116.67 123.43 1q81 s ASP 281 Ca 0.38 2.69 0.00 0.00 0.71 0.00 0.00 52.55 56.33 1q81 s ASP 281 Cb -0.11 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1q81 s ASP 281 CO 0.28 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.50 1q81 n GLY 282 N 2.74 3.04 0.00 0.21 0.00 -1.26 -3.99 105.19 105.92 1q81 n GLY 282 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1q81 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 283 N -0.67 2.44 3.69 -0.02 0.00 -0.87 -4.95 105.19 104.81 1q81 n GLY 283 Ca 0.00 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 1q81 n GLY 283 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q81 n PHE 284 N 1.50 2.61 -1.66 1.61 3.01 0.15 -4.77 117.46 119.91 1q81 n PHE 284 Ca 0.00 -0.11 -0.49 0.00 1.01 0.00 0.00 57.45 57.85 1q81 n PHE 284 Cb 0.00 -2.72 -0.05 0.00 -0.01 0.00 0.00 39.48 36.70 1q81 n PHE 284 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1q81 n VAL 285 N 4.62 0.19 -1.51 -4.37 0.31 -1.26 -1.15 118.33 115.15 1q81 n VAL 285 Ca 0.18 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.30 1q81 n VAL 285 Cb 0.36 -1.44 -0.08 0.00 -0.91 0.00 0.00 33.84 31.78 1q81 n VAL 285 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1q81 n ASN 286 N 4.29 -5.15 0.00 4.52 3.02 -1.26 -4.78 115.26 115.90 1q81 n ASN 286 Ca 0.20 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 1q81 n ASN 286 Cb 0.25 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 1q81 n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q81 n TYR 287 N -2.48 0.00 -0.23 3.10 9.36 -0.30 -4.94 117.16 121.67 1q81 n TYR 287 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 1q81 n TYR 287 Cb 0.58 0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.52 1q81 n TYR 287 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1q81 n GLY 288 N 2.40 0.35 3.56 2.98 0.00 -0.52 -4.69 105.19 109.28 1q81 n GLY 288 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1q81 n GLY 288 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 289 N -2.00 2.63 -0.02 1.61 2.02 -1.26 0.34 118.70 122.02 1q81 s GLU 289 Ca 0.00 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.33 1q81 s GLU 289 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1q81 s GLU 289 CO 0.00 0.64 0.18 0.08 0.02 0.00 0.00 175.26 176.18 1q81 s VAL 290 N -0.85 5.44 -0.36 2.63 1.01 -1.26 -4.79 120.40 122.23 1q81 s VAL 290 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1q81 s VAL 290 Cb -0.11 -3.52 0.26 0.00 0.00 0.00 0.00 36.38 33.00 1q81 s VAL 290 CO 0.03 0.36 1.14 -0.67 0.00 0.00 0.00 175.10 175.97 1q81 n ASP 291 N 1.08 -1.63 0.00 3.32 2.03 -1.12 -4.20 116.55 116.02 1q81 n ASP 291 Ca -0.12 -1.89 0.00 0.00 0.52 0.00 0.00 54.79 53.30 1q81 n ASP 291 Cb 0.53 0.91 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 1q81 n ASP 291 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q81 n GLY 292 N 1.79 -0.66 3.71 0.27 0.00 -0.38 -4.64 105.19 105.28 1q81 n GLY 292 Ca 0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1q81 n GLY 292 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1q81 s PRO 293 N -0.04 4.23 0.27 1.61 0.02 -1.26 -0.69 135.00 139.15 1q81 s PRO 293 Ca 0.00 2.27 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1q81 s PRO 293 Cb 0.00 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 1q81 s PRO 293 CO 0.00 -0.62 0.27 1.52 -0.33 0.00 0.00 177.00 177.85 1q81 s TYR 294 N 1.73 1.28 0.03 6.54 -0.85 -0.91 -1.42 117.35 123.75 1q81 s TYR 294 Ca 0.70 -1.41 0.01 0.00 -0.52 0.00 0.00 57.07 55.85 1q81 s TYR 294 Cb -0.40 -0.47 -0.02 0.00 0.38 0.00 0.00 41.96 41.45 1q81 s TYR 294 CO 0.31 -0.84 -0.05 0.99 -1.52 0.00 0.00 175.55 174.45 1q81 s THR 295 N -3.71 0.28 -0.28 -3.49 2.01 0.68 -2.10 115.64 109.03 1q81 s THR 295 Ca 0.37 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.51 1q81 s THR 295 Cb 0.03 -0.38 0.06 0.00 0.01 0.00 0.00 72.50 72.23 1q81 s THR 295 CO 0.19 -0.38 -0.06 -0.76 -0.69 0.00 0.00 174.62 172.92 1q81 s LEU 296 N -1.32 3.72 -0.17 4.42 1.43 0.63 -1.32 118.68 126.06 1q81 s LEU 296 Ca -0.11 -1.43 -0.08 0.00 -1.03 0.00 0.00 54.13 51.47 1q81 s LEU 296 Cb -0.09 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1q81 s LEU 296 CO -0.00 -0.23 0.10 -0.69 0.23 0.00 0.00 176.35 175.76 1q81 s VAL 297 N 1.13 5.17 0.48 -1.59 1.01 -0.64 -0.45 120.40 125.51 1q81 s VAL 297 Ca -0.06 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1q81 s VAL 297 Cb -0.20 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.79 1q81 s VAL 297 CO -0.04 0.49 1.32 -0.75 0.00 0.00 0.00 175.10 176.12 1q81 s LYS 298 N 0.04 3.57 4.41 2.72 2.20 -0.37 -0.86 119.74 131.45 1q81 s LYS 298 Ca 0.08 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1q81 s LYS 298 Cb -0.12 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1q81 s LYS 298 CO -0.00 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 1q81 n GLY 299 N 0.63 1.00 3.74 5.54 0.00 0.17 -4.67 105.19 111.60 1q81 n GLY 299 Ca 0.07 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 1q81 n GLY 299 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q81 s SER 300 N -4.00 4.69 -0.02 1.61 1.04 -1.26 -3.46 113.70 112.29 1q81 s SER 300 Ca 0.00 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1q81 s SER 300 Cb 0.00 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.45 1q81 s SER 300 CO 0.00 -0.34 0.02 -0.69 0.98 0.00 0.00 173.24 173.21 1q81 s VAL 301 N -2.44 0.04 1.09 5.02 1.01 -1.26 -5.01 120.40 118.84 1q81 s VAL 301 Ca 0.39 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1q81 s VAL 301 Cb -0.02 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.29 1q81 s VAL 301 CO 0.23 0.11 0.02 -0.81 0.00 0.00 0.00 175.10 174.65 1q81 n PRO 302 N 4.15 -1.34 0.00 2.72 -0.04 -1.26 -4.83 135.00 134.40 1q81 n PRO 302 Ca -0.27 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1q81 n PRO 302 Cb 0.50 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1q81 n PRO 302 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q81 n GLY 303 N 2.00 -2.43 3.95 0.55 0.00 -1.25 -4.88 105.19 103.13 1q81 n GLY 303 Ca 0.01 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 1q81 n GLY 303 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q81 s PRO 304 N -2.96 3.39 0.09 1.61 0.04 -1.26 -4.69 135.00 131.21 1q81 s PRO 304 Ca 0.00 -0.77 -0.36 0.00 0.04 0.00 0.00 61.00 59.91 1q81 s PRO 304 Cb 0.00 -2.86 -0.18 0.00 0.04 0.00 0.00 34.50 31.50 1q81 s PRO 304 CO 0.00 0.44 1.06 -0.25 0.04 0.00 0.00 177.00 178.29 1q81 n ASP 305 N -1.30 0.43 0.00 6.66 8.00 -1.26 -1.17 116.55 127.91 1q81 n ASP 305 Ca -0.09 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.56 1q81 n ASP 305 Cb 0.57 -1.04 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1q81 n ASP 305 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1q81 n LYS 306 N 1.67 0.00 -2.79 -1.24 5.02 -0.33 -4.98 118.16 115.51 1q81 n LYS 306 Ca 0.18 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.11 1q81 n LYS 306 Cb 0.16 -0.62 -0.06 0.00 -0.02 0.00 0.00 35.03 34.49 1q81 n LYS 306 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1q81 s ARG 307 N -0.60 4.55 0.03 1.97 3.52 -0.31 -4.67 118.95 123.43 1q81 s ARG 307 Ca 0.00 1.31 -0.30 0.00 -0.13 0.00 0.00 55.73 56.60 1q81 s ARG 307 Cb 0.00 -2.74 -0.05 0.00 -1.56 0.00 0.00 34.95 30.60 1q81 s ARG 307 CO 0.00 0.25 1.19 -1.17 -0.81 0.00 0.00 175.30 174.76 1q81 s LEU 308 N -2.17 4.35 0.11 -0.88 2.96 -1.26 -1.88 118.68 119.91 1q81 s LEU 308 Ca 0.51 1.95 0.09 0.00 -0.22 0.00 0.00 54.13 56.47 1q81 s LEU 308 Cb -0.18 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1q81 s LEU 308 CO 0.23 -0.49 -0.18 0.68 -1.32 0.00 0.00 176.35 175.26 1q81 s VAL 309 N 1.37 2.85 -0.10 1.68 -7.23 -0.23 -4.66 120.40 114.08 1q81 s VAL 309 Ca 0.58 -1.48 0.04 0.00 -1.81 0.00 0.00 61.98 59.30 1q81 s VAL 309 Cb -0.28 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.36 1q81 s VAL 309 CO 0.27 0.11 -0.23 -0.13 -0.31 0.00 0.00 175.10 174.82 1q81 s ARG 310 N -2.11 3.08 0.15 4.82 0.52 -0.87 -1.98 118.95 122.56 1q81 s ARG 310 Ca 0.18 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 1q81 s ARG 310 Cb -0.11 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 32.99 1q81 s ARG 310 CO 0.10 0.18 0.32 -0.06 0.02 0.00 0.00 175.30 175.86 1q81 s PHE 311 N 0.36 3.49 -0.25 -0.53 0.40 0.31 -0.41 117.98 121.34 1q81 s PHE 311 Ca -0.18 0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 56.19 1q81 s PHE 311 Cb -0.18 -1.79 0.07 0.00 0.51 0.00 0.00 43.02 41.63 1q81 s PHE 311 CO 0.08 0.47 0.68 0.50 0.70 0.00 0.00 175.22 177.64 1q81 s ARG 312 N -3.10 0.79 0.11 0.44 3.52 -1.06 -1.99 118.95 117.65 1q81 s ARG 312 Ca 0.37 0.94 -0.31 0.00 -0.13 0.00 0.00 55.73 56.60 1q81 s ARG 312 Cb -0.11 0.38 -0.10 0.00 -1.56 0.00 0.00 34.95 33.56 1q81 s ARG 312 CO 0.28 -0.10 1.72 -2.14 -0.81 0.00 0.00 175.30 174.26 1q81 s PRO 313 N 0.38 4.17 0.11 5.12 0.02 -1.26 0.18 135.00 143.71 1q81 s PRO 313 Ca -0.00 2.46 -0.28 0.00 0.02 0.00 0.00 61.00 63.19 1q81 s PRO 313 Cb -0.05 -3.52 -0.16 0.00 0.02 0.00 0.00 34.50 30.79 1q81 s PRO 313 CO 0.01 -0.77 0.64 0.00 -0.33 0.00 0.00 177.00 176.54 1q81 n ALA 314 N 5.37 -2.86 0.58 -1.55 0.00 -0.99 -4.58 120.51 116.48 1q81 n ALA 314 Ca 0.16 0.43 0.11 0.00 0.00 0.00 0.00 53.44 54.15 1q81 n ALA 314 Cb 0.39 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1q81 n ALA 314 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1q81 n VAL 315 N 0.51 0.12 -2.97 0.00 0.24 -1.26 -4.58 118.33 110.39 1q81 n VAL 315 Ca 0.16 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 1q81 n VAL 315 Cb 0.16 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1q81 n VAL 315 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1q81 n ARG 316 N -1.91 0.82 -1.26 7.34 1.85 -1.26 -4.94 116.66 117.30 1q81 n ARG 316 Ca 0.02 -2.53 -0.30 0.00 -1.00 0.00 0.00 57.85 54.04 1q81 n ARG 316 Cb 0.43 -1.35 0.12 0.00 -1.05 0.00 0.00 32.46 30.61 1q81 n ARG 316 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1q81 s PRO 317 N -0.49 1.64 -0.06 2.89 0.02 -1.26 -4.85 135.00 132.89 1q81 s PRO 317 Ca 0.33 0.90 0.05 0.00 0.02 0.00 0.00 61.00 62.30 1q81 s PRO 317 Cb 0.24 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.84 1q81 s PRO 317 CO -0.15 -2.00 0.02 0.09 -0.33 0.00 0.00 177.00 174.63 1q81 n ASN 318 N -3.73 3.53 -4.87 2.53 3.02 -1.26 -5.05 115.26 109.43 1q81 n ASN 318 Ca 0.08 -0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.41 1q81 n ASN 318 Cb 0.55 0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 40.31 1q81 n ASN 318 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1q81 s ASP 319 N -3.77 4.94 0.16 6.41 1.01 -1.26 -5.12 116.67 119.04 1q81 s ASP 319 Ca -0.03 -0.83 -0.10 0.00 0.71 0.00 0.00 52.55 52.29 1q81 s ASP 319 Cb 0.02 -0.45 -0.07 0.00 1.01 0.00 0.00 42.92 43.43 1q81 s ASP 319 CO 0.24 -0.70 0.49 -1.58 0.21 0.00 0.00 175.17 173.83 1q81 s GLN 320 N -4.13 3.81 0.17 8.23 2.00 -1.26 -5.03 119.66 123.45 1q81 s GLN 320 Ca 0.46 0.26 -0.31 0.00 -2.00 0.00 0.00 55.36 53.77 1q81 s GLN 320 Cb -0.02 -2.84 -0.10 0.00 0.80 0.00 0.00 33.01 30.85 1q81 s GLN 320 CO 0.27 0.44 1.54 -2.14 -0.50 0.00 0.00 175.29 174.90 1q81 s PRO 321 N -2.33 4.23 -0.70 1.67 0.02 -1.26 -4.96 135.00 131.66 1q81 s PRO 321 Ca 0.40 2.33 0.05 0.00 0.02 0.00 0.00 61.00 63.80 1q81 s PRO 321 Cb -0.13 -3.15 0.20 0.00 0.02 0.00 0.00 34.50 31.44 1q81 s PRO 321 CO 0.20 -0.57 0.61 0.54 -0.33 0.00 0.00 177.00 177.46 1q81 n ARG 322 N 3.73 2.16 -1.10 5.54 1.74 -1.24 -5.03 116.66 122.44 1q81 n ARG 322 Ca 0.13 -4.56 -0.37 0.00 -0.77 0.00 0.00 57.85 52.28 1q81 n ARG 322 Cb 0.39 -2.29 0.02 0.00 -1.02 0.00 0.00 32.46 29.56 1q81 n ARG 322 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1q81 n LEU 323 N 1.59 -4.79 -1.64 0.55 4.77 -1.26 -4.36 117.00 111.86 1q81 n LEU 323 Ca 0.23 0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 56.56 1q81 n LEU 323 Cb 0.37 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1q81 n LEU 323 CO 0.33 -5.33 -0.14 0.47 -1.33 0.00 0.00 177.39 171.39 1q81 n ASP 324 N 2.95 -2.09 -4.74 -1.43 9.92 0.02 -4.86 116.55 116.33 1q81 n ASP 324 Ca 0.03 0.04 -0.41 0.00 -0.53 0.00 0.00 54.79 53.93 1q81 n ASP 324 Cb 0.51 -0.55 -0.04 0.00 -0.64 0.00 0.00 41.12 40.40 1q81 n ASP 324 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1q81 s PRO 325 N -0.59 4.62 -0.20 -0.24 0.02 -1.26 -4.98 135.00 132.37 1q81 s PRO 325 Ca 0.06 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.51 1q81 s PRO 325 Cb -0.01 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 1q81 s PRO 325 CO 0.15 0.13 1.49 -2.00 -0.33 0.00 0.00 177.00 176.44 1q81 s GLU 326 N -0.65 3.95 -0.48 5.54 2.12 -1.26 -4.98 118.70 122.94 1q81 s GLU 326 Ca 0.48 1.65 -0.17 0.00 0.36 0.00 0.00 54.97 57.28 1q81 s GLU 326 Cb -0.30 -3.95 0.06 0.00 0.26 0.00 0.00 34.13 30.21 1q81 s GLU 326 CO 0.36 -1.09 0.48 0.08 -0.54 0.00 0.00 175.26 174.55 1q81 s VAL 327 N 4.55 5.10 -0.31 3.70 1.01 -1.26 -2.46 120.40 130.73 1q81 s VAL 327 Ca 0.65 -0.82 0.22 0.00 0.00 0.00 0.00 61.98 62.03 1q81 s VAL 327 Cb -0.24 -4.18 0.15 0.00 0.00 0.00 0.00 36.38 32.11 1q81 s VAL 327 CO 0.25 -0.64 1.32 0.03 0.00 0.00 0.00 175.10 176.06 1q81 h ARG 328 N 8.83 0.00 -1.94 2.72 3.08 -1.67 -3.47 114.38 121.93 1q81 h ARG 328 Ca -0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1q81 h ARG 328 Cb 1.11 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.94 1q81 h ARG 328 CO 0.90 0.07 0.20 -0.47 -1.07 0.00 0.00 179.97 179.60 1q81 s TYR 329 N -3.22 -0.71 -0.10 3.04 5.04 -1.17 -4.95 117.35 115.28 1q81 s TYR 329 Ca 0.03 1.60 -0.00 0.00 -2.44 0.00 0.00 57.07 56.26 1q81 s TYR 329 Cb 0.07 0.32 0.02 0.00 0.35 0.00 0.00 41.96 42.73 1q81 s TYR 329 CO 0.73 -0.42 -0.07 0.08 -1.34 0.00 0.00 175.55 174.54 1q81 s VAL 330 N -0.07 0.94 -0.05 3.14 1.01 -1.26 0.63 120.40 124.74 1q81 s VAL 330 Ca -0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1q81 s VAL 330 Cb -0.04 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1q81 s VAL 330 CO 0.02 0.35 1.25 -0.55 0.00 0.00 0.00 175.10 176.17 1q81 s SER 331 N 1.69 7.00 0.00 3.32 0.15 -0.79 -4.90 113.70 120.17 1q81 s SER 331 Ca 0.04 1.87 0.15 0.00 0.70 0.00 0.00 55.95 58.71 1q81 s SER 331 Cb -0.13 -2.56 0.28 0.00 -1.71 0.00 0.00 66.02 61.91 1q81 s SER 331 CO -0.07 -0.62 1.18 0.59 1.20 0.00 0.00 173.24 175.52 1q81 n ASN 332 N 5.32 2.81 -4.72 5.45 3.02 -1.26 -4.62 115.26 121.26 1q81 n ASN 332 Ca 0.12 -1.83 -0.40 0.00 -0.03 0.00 0.00 54.58 52.44 1q81 n ASN 332 Cb 0.46 -0.17 0.03 0.00 -0.61 0.00 0.00 39.78 39.48 1q81 n ASN 332 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1q81 n GLU 333 N 0.89 1.82 -1.64 3.52 2.13 -1.26 -0.09 120.64 126.01 1q81 n GLU 333 Ca 0.13 0.66 -0.46 0.00 0.66 0.00 0.00 57.16 58.14 1q81 n GLU 333 Cb 0.44 -2.48 -0.03 0.00 0.27 0.00 0.00 31.44 29.64 1q81 n GLU 333 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1q81 n SER 334 N -0.36 2.41 -0.15 4.31 2.88 -1.26 -4.27 113.62 117.17 1q81 n SER 334 Ca 0.08 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1q81 n SER 334 Cb 0.42 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1q81 n SER 334 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1q81 n ASN 335 N 2.32 0.30 -4.13 -3.46 4.13 -1.26 -4.57 115.26 108.59 1q81 n ASN 335 Ca 0.14 -1.98 -0.33 0.00 1.68 0.00 0.00 54.58 54.08 1q81 n ASN 335 Cb 0.29 -0.15 -0.16 0.00 -1.54 0.00 0.00 39.78 38.22 1q81 n ASN 335 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1q81 s GLN 336 N -1.70 3.01 0.00 3.52 -0.21 -1.26 -4.91 119.66 118.11 1q81 s GLN 336 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.56 1q81 s GLN 336 Cb 0.00 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1q81 s GLN 336 CO 0.00 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.37