#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rce s ASP 38 N 0.00 4.44 -0.04 5.98 3.68 -1.26 -4.96 116.67 124.52 2rce s ASP 38 Ca 0.00 -0.47 0.15 0.00 2.13 0.00 0.00 52.55 54.36 2rce s ASP 38 Cb 0.00 -1.76 0.46 0.00 -1.45 0.00 0.00 42.92 40.17 2rce s ASP 38 CO 0.00 -0.05 1.39 -1.54 0.13 0.00 0.00 175.17 175.09 2rce n SER 39 N 4.80 3.51 -0.27 -0.34 3.41 -1.26 -4.62 113.62 118.85 2rce n SER 39 Ca -0.17 -2.19 0.05 0.00 -0.26 0.00 0.00 58.87 56.30 2rce n SER 39 Cb 0.50 -0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.23 2rce n SER 39 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2rce h THR 40 N 2.74 0.28 -0.26 6.66 2.02 -2.06 -1.78 112.91 120.52 2rce h THR 40 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2rce h THR 40 Cb 0.97 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2rce h THR 40 CO 0.06 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.43 2rce n ASP 41 N -5.40 2.76 -4.87 4.18 8.00 -1.26 -4.91 116.55 115.05 2rce n ASP 41 Ca 0.14 -1.89 -0.30 0.00 0.71 0.00 0.00 54.79 53.45 2rce n ASP 41 Cb 0.48 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2rce n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rce s GLU 42 N -1.68 3.74 -0.23 -1.24 2.02 -0.67 -5.08 118.70 115.57 2rce s GLU 42 Ca 0.35 0.61 -0.04 0.00 0.02 0.00 0.00 54.97 55.91 2rce s GLU 42 Cb 0.21 -2.25 -0.00 0.00 0.10 0.00 0.00 34.13 32.18 2rce s GLU 42 CO 0.30 -0.24 -0.04 0.99 0.02 0.00 0.00 175.26 176.28 2rce s THR 43 N -2.68 3.30 0.25 3.63 2.01 -1.26 -5.05 115.64 115.85 2rce s THR 43 Ca 0.53 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 2rce s THR 43 Cb -0.10 -2.54 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 2rce s THR 43 CO 0.39 0.38 1.48 -2.84 -0.69 0.00 0.00 174.62 173.33 2rce s PRO 44 N 1.46 4.23 0.24 4.92 0.02 -1.26 -4.97 135.00 139.64 2rce s PRO 44 Ca 0.05 2.36 -0.31 0.00 0.02 0.00 0.00 61.00 63.12 2rce s PRO 44 Cb -0.15 -3.09 -0.13 0.00 0.02 0.00 0.00 34.50 31.15 2rce s PRO 44 CO -0.03 -0.47 1.48 0.00 -0.33 0.00 0.00 177.00 177.65 2rce n ALA 45 N 2.39 1.52 -3.56 -1.55 0.00 -1.26 -4.98 120.51 113.07 2rce n ALA 45 Ca 0.07 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.76 2rce n ALA 45 Cb 0.40 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 2rce n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2rce s SER 46 N 0.46 -0.67 -0.26 0.00 0.15 -1.26 -5.02 113.70 107.09 2rce s SER 46 Ca 0.69 0.96 0.11 0.00 0.70 0.00 0.00 55.95 58.41 2rce s SER 46 Cb -0.62 0.86 0.50 0.00 -1.71 0.00 0.00 66.02 65.06 2rce s SER 46 CO 0.47 -0.46 1.45 -1.22 1.20 0.00 0.00 173.24 174.68 2rce n TYR 47 N 1.56 1.02 0.05 3.44 4.02 -1.26 -4.73 117.16 121.26 2rce n TYR 47 Ca -0.17 -1.44 0.03 0.00 -0.01 0.00 0.00 57.90 56.32 2rce n TYR 47 Cb 0.56 -0.45 0.41 0.00 -0.02 0.00 0.00 39.34 39.85 2rce n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2rce h ASN 48 N 1.12 0.37 -0.20 7.72 -0.73 -1.95 -2.46 115.58 119.45 2rce h ASN 48 Ca 0.17 -0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.33 2rce h ASN 48 Cb 1.60 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 40.07 2rce h ASN 48 CO 0.34 0.36 0.05 0.25 -0.37 0.00 0.00 177.43 178.07 2rce h LEU 49 N 0.41 0.05 -1.04 0.34 5.85 -1.90 0.11 115.31 119.14 2rce h LEU 49 Ca 0.10 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2rce h LEU 49 Cb 0.13 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2rce h LEU 49 CO -0.01 0.05 0.53 0.00 -0.34 0.00 0.00 178.44 178.68 2rce h ALA 50 N 1.13 1.28 0.25 1.25 0.00 -1.61 -1.57 119.26 119.99 2rce h ALA 50 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2rce h ALA 50 Cb 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2rce h ALA 50 CO -0.10 0.62 -0.12 0.28 0.00 0.00 0.00 179.25 179.92 2rce h VAL 51 N 1.21 0.79 -0.60 0.00 2.07 -0.98 -0.71 116.25 118.03 2rce h VAL 51 Ca 0.31 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2rce h VAL 51 Cb -0.05 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2rce h VAL 51 CO -0.06 0.05 0.40 0.03 0.02 0.00 0.00 177.57 178.00 2rce h ARG 52 N -0.44 0.68 -0.06 1.57 3.08 -0.57 0.30 114.38 118.93 2rce h ARG 52 Ca -0.03 -0.04 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 2rce h ARG 52 Cb 0.33 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.25 2rce h ARG 52 CO 0.06 0.45 -0.82 0.00 -1.07 0.00 0.00 179.97 178.59 2rce h ARG 53 N 0.70 0.66 0.00 0.04 3.08 -1.17 -3.42 114.38 114.27 2rce h ARG 53 Ca 0.24 -0.63 -0.35 0.00 0.07 0.00 0.00 59.98 59.31 2rce h ARG 53 Cb 0.08 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 2rce h ARG 53 CO -0.06 1.23 -2.31 0.00 -1.07 0.00 0.00 179.97 177.75 2rce n ALA 54 N -2.61 1.50 -0.32 0.04 0.00 -0.28 -4.58 120.51 114.26 2rce n ALA 54 Ca -0.09 -0.98 0.05 0.00 0.00 0.00 0.00 53.44 52.41 2rce n ALA 54 Cb 0.77 -0.01 0.24 0.00 0.00 0.00 0.00 19.45 20.45 2rce n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rce h ALA 55 N -0.09 1.52 -0.11 0.00 0.00 -1.11 -2.17 119.26 117.30 2rce h ALA 55 Ca -0.52 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.40 2rce h ALA 55 Cb 1.77 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2rce h ALA 55 CO -0.11 0.32 0.13 -1.35 0.00 0.00 0.00 179.25 178.25 2rce h PRO 56 N 1.03 0.00 -0.00 0.00 0.11 -1.80 -1.92 132.00 129.41 2rce h PRO 56 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2rce h PRO 56 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2rce h PRO 56 CO -0.17 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 177.32 2rce n ALA 57 N -2.30 3.14 -2.67 -0.75 0.00 -0.82 -4.53 120.51 112.59 2rce n ALA 57 Ca -0.00 -0.33 -0.38 0.00 0.00 0.00 0.00 53.44 52.73 2rce n ALA 57 Cb 0.24 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 2rce n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rce s VAL 58 N -2.74 5.24 0.22 0.00 1.01 -0.72 -0.71 120.40 122.70 2rce s VAL 58 Ca 0.19 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2rce s VAL 58 Cb 0.19 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2rce s VAL 58 CO 0.58 0.28 0.00 0.68 0.00 0.00 0.00 175.10 176.64 2rce s VAL 59 N 1.24 3.59 -0.12 2.92 -7.23 0.45 -4.55 120.40 116.70 2rce s VAL 59 Ca 0.16 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 2rce s VAL 59 Cb -0.14 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2rce s VAL 59 CO 0.07 -0.24 0.58 0.20 -0.31 0.00 0.00 175.10 175.40 2rce s ASN 60 N -3.31 6.77 -0.18 4.85 0.01 -0.27 -1.14 114.94 121.67 2rce s ASN 60 Ca 0.29 0.93 -0.04 0.00 -0.71 0.00 0.00 52.86 53.33 2rce s ASN 60 Cb -0.08 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 2rce s ASN 60 CO 0.19 -0.11 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.95 2rce s VAL 61 N 1.02 3.76 -0.20 1.60 1.01 -0.26 -0.90 120.40 126.42 2rce s VAL 61 Ca 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2rce s VAL 61 Cb -0.16 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2rce s VAL 61 CO 0.13 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.27 2rce s TYR 62 N 0.77 2.88 -0.53 5.22 1.51 0.64 -0.99 117.35 126.85 2rce s TYR 62 Ca -0.01 -1.16 -0.22 0.00 -1.01 0.00 0.00 57.07 54.67 2rce s TYR 62 Cb -0.14 -2.01 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 2rce s TYR 62 CO 0.02 -0.61 0.80 1.21 -1.11 0.00 0.00 175.55 175.86 2rce s ASN 63 N 1.29 6.29 -0.12 2.29 3.84 0.29 -1.05 114.94 127.78 2rce s ASN 63 Ca 0.04 -0.60 -0.05 0.00 0.21 0.00 0.00 52.86 52.46 2rce s ASN 63 Cb -0.14 -2.37 -0.04 0.00 -0.55 0.00 0.00 41.25 38.15 2rce s ASN 63 CO -0.06 -1.07 0.07 -0.13 -2.79 0.00 0.00 177.10 173.12 2rce s ARG 64 N 3.36 3.33 0.08 0.43 0.52 0.32 0.10 118.95 127.09 2rce s ARG 64 Ca 0.24 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.22 2rce s ARG 64 Cb -0.15 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 2rce s ARG 64 CO 0.16 0.66 -0.15 0.20 0.02 0.00 0.00 175.30 176.19 2rce s GLY 65 N -0.74 0.93 0.38 -3.53 0.00 0.56 -0.99 107.32 103.93 2rce s GLY 65 Ca 0.12 -1.05 -0.24 0.00 0.00 0.00 0.00 44.72 43.55 2rce s GLY 65 CO 0.03 -1.08 1.04 1.08 0.00 0.00 0.00 173.10 174.17 2rce s LEU 66 N -1.81 4.18 0.00 0.66 1.43 -1.26 0.78 118.68 122.66 2rce s LEU 66 Ca -0.00 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 2rce s LEU 66 Cb -0.10 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2rce s LEU 66 CO 0.03 -0.43 0.00 -3.20 0.23 0.00 0.00 176.35 172.97 2rce n ASN 67 N 0.06 0.87 -1.03 2.29 2.85 -1.26 -4.85 115.26 114.19 2rce n ASN 67 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 2rce n ASN 67 Cb 0.49 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.51 2rce n ASN 67 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2rce n THR 68 N 0.00 1.01 0.00 -0.44 5.66 -1.26 -4.91 114.28 114.35 2rce n THR 68 Ca 0.00 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 2rce n THR 68 Cb 0.00 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 67.77 2rce n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rce n GLN 73 N 0.58 0.00 -2.34 1.09 6.02 -1.26 -5.20 117.38 116.26 2rce n GLN 73 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2rce n GLN 73 Cb 0.48 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.71 2rce n GLN 73 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2rce s LEU 74 N -2.93 4.34 0.17 1.08 1.43 -1.26 -4.55 118.68 116.95 2rce s LEU 74 Ca 0.00 2.05 0.08 0.00 -1.03 0.00 0.00 54.13 55.24 2rce s LEU 74 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2rce s LEU 74 CO 0.00 -0.57 -0.08 -1.61 0.23 0.00 0.00 176.35 174.32 2rce s GLU 75 N 1.53 2.13 -0.19 1.70 2.02 0.23 -4.91 118.70 121.21 2rce s GLU 75 Ca 0.60 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 2rce s GLU 75 Cb -0.30 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.71 2rce s GLU 75 CO 0.28 0.45 1.13 0.42 0.02 0.00 0.00 175.26 177.55 2rce s ILE 76 N -1.64 4.52 -0.12 -1.63 1.01 -1.26 -0.32 121.20 121.76 2rce s ILE 76 Ca 0.25 1.83 -0.11 0.00 0.00 0.00 0.00 60.65 62.62 2rce s ILE 76 Cb -0.09 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2rce s ILE 76 CO 0.16 -0.14 -0.21 0.54 0.00 0.00 0.00 174.94 175.28 2rce n ARG 77 N 6.30 0.35 -4.41 2.79 5.12 0.11 -4.92 116.66 122.01 2rce n ARG 77 Ca 0.12 0.23 -0.27 0.00 -1.93 0.00 0.00 57.85 56.00 2rce n ARG 77 Cb 0.46 -1.22 -0.12 0.00 -1.16 0.00 0.00 32.46 30.41 2rce n ARG 77 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2rce s THR 78 N -2.20 2.35 0.03 0.55 2.01 -1.11 -5.02 115.64 112.26 2rce s THR 78 Ca -0.17 -1.95 0.03 0.00 0.31 0.00 0.00 61.69 59.90 2rce s THR 78 Cb 0.02 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2rce s THR 78 CO 0.26 -0.06 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.55 2rce s LEU 79 N -2.52 2.17 0.00 4.42 0.05 -1.26 -0.55 118.68 120.99 2rce s LEU 79 Ca 0.19 -0.41 0.00 0.00 0.05 0.00 0.00 54.13 53.96 2rce s LEU 79 Cb -0.08 -0.31 0.00 0.00 -2.05 0.00 0.00 46.19 43.75 2rce s LEU 79 CO 0.09 -0.07 0.00 0.61 -0.55 0.00 0.00 176.35 176.43 2rce n GLY 80 N 1.94 4.10 3.49 -3.48 0.00 -0.16 -4.22 105.19 106.86 2rce n GLY 80 Ca -0.19 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 2rce n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rce s SER 81 N 1.59 2.63 0.21 1.61 0.01 -1.21 -1.10 113.70 117.44 2rce s SER 81 Ca 0.00 -1.56 -0.18 0.00 1.31 0.00 0.00 55.95 55.52 2rce s SER 81 Cb 0.00 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.55 2rce s SER 81 CO 0.00 -0.81 0.57 -0.83 0.41 0.00 0.00 173.24 172.58 2rce s GLY 82 N -3.56 -0.10 -0.10 3.44 0.00 -0.29 -4.02 107.32 102.68 2rce s GLY 82 Ca 0.28 -0.21 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 2rce s GLY 82 CO 0.14 -0.21 -0.08 0.14 0.00 0.00 0.00 173.10 173.10 2rce s VAL 83 N -3.88 0.99 -0.14 1.40 1.01 0.19 -0.41 120.40 119.57 2rce s VAL 83 Ca 0.10 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 2rce s VAL 83 Cb -0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2rce s VAL 83 CO -0.01 0.36 1.32 -0.63 0.00 0.00 0.00 175.10 176.13 2rce s ILE 84 N 1.54 4.16 -0.17 2.22 1.01 0.11 -1.20 121.20 128.87 2rce s ILE 84 Ca 0.02 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.17 2rce s ILE 84 Cb -0.13 -3.92 -0.23 0.00 0.01 0.00 0.00 42.46 38.20 2rce s ILE 84 CO -0.06 -0.11 0.17 0.23 0.00 0.00 0.00 174.94 175.17 2rce n MET 85 N 6.52 0.68 -3.97 2.79 2.81 -0.06 -1.49 117.12 124.40 2rce n MET 85 Ca 0.14 0.15 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 2rce n MET 85 Cb 0.45 -1.61 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 2rce n MET 85 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2rce s ASP 86 N -6.15 0.41 0.57 7.83 1.47 -1.25 -4.61 116.67 114.95 2rce s ASP 86 Ca -0.17 -1.25 0.35 0.00 1.18 0.00 0.00 52.55 52.66 2rce s ASP 86 Cb 0.07 0.72 1.60 0.00 -0.34 0.00 0.00 42.92 44.98 2rce s ASP 86 CO 0.76 -1.41 2.08 1.56 0.68 0.00 0.00 175.17 178.83 2rce h GLN 87 N 2.09 0.00 0.00 2.11 1.08 -1.93 -2.71 115.11 115.74 2rce h GLN 87 Ca -0.29 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2rce h GLN 87 Cb 1.25 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.67 2rce h GLN 87 CO 0.38 0.02 -0.05 0.00 -0.95 0.00 0.00 178.83 178.23 2rce h ARG 88 N 0.00 0.00 0.00 1.46 3.08 -1.95 -3.45 114.38 113.52 2rce h ARG 88 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2rce h ARG 88 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2rce h ARG 88 CO 0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 2rce n GLY 89 N -0.28 1.53 3.71 0.04 0.00 -1.02 -4.44 105.19 104.73 2rce n GLY 89 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2rce n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rce s TYR 90 N -2.00 3.58 -0.08 1.61 2.02 -1.26 -1.10 117.35 120.12 2rce s TYR 90 Ca 0.00 1.32 0.03 0.00 -0.37 0.00 0.00 57.07 58.05 2rce s TYR 90 Cb 0.00 -2.87 0.01 0.00 -0.40 0.00 0.00 41.96 38.70 2rce s TYR 90 CO 0.00 0.05 -0.19 0.42 -1.57 0.00 0.00 175.55 174.26 2rce s ILE 91 N 0.92 1.66 0.00 2.71 1.01 -0.17 -0.88 121.20 126.45 2rce s ILE 91 Ca 0.40 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 2rce s ILE 91 Cb -0.18 -1.46 -0.06 0.00 0.01 0.00 0.00 42.46 40.78 2rce s ILE 91 CO 0.19 0.47 0.57 -0.63 0.00 0.00 0.00 174.94 175.54 2rce s ILE 92 N 0.46 4.91 0.00 2.92 1.01 -0.34 0.11 121.20 130.26 2rce s ILE 92 Ca -0.16 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.67 2rce s ILE 92 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2rce s ILE 92 CO 0.07 0.45 0.00 1.07 0.00 0.00 0.00 174.94 176.52 2rce n THR 93 N 2.55 0.00 -4.07 2.92 5.66 -0.12 -0.64 114.28 120.58 2rce n THR 93 Ca -0.08 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.57 2rce n THR 93 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 2rce n THR 93 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2rce s ASN 94 N 0.42 5.58 0.32 1.09 3.84 -1.26 -1.69 114.94 123.23 2rce s ASN 94 Ca 0.00 0.10 0.01 0.00 0.21 0.00 0.00 52.86 53.18 2rce s ASN 94 Cb 0.00 -1.90 0.57 0.00 -0.55 0.00 0.00 41.25 39.36 2rce s ASN 94 CO 0.00 0.21 1.95 0.50 -2.79 0.00 0.00 177.10 176.98 2rce h LYS 95 N 6.40 0.94 0.00 0.43 3.64 -1.46 -1.81 116.57 124.71 2rce h LYS 95 Ca -0.39 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 2rce h LYS 95 Cb 1.18 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2rce h LYS 95 CO 0.67 0.62 -0.24 0.45 -2.27 0.00 0.00 179.45 178.69 2rce h HIS 96 N 0.97 0.00 -0.17 1.91 3.86 -1.95 -1.54 115.15 118.23 2rce h HIS 96 Ca 0.32 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.34 2rce h HIS 96 Cb 0.07 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.55 2rce h HIS 96 CO -0.00 0.24 -0.66 0.28 0.86 0.00 0.00 177.93 178.65 2rce h VAL 97 N 0.00 1.30 -0.01 2.45 2.07 -1.72 -3.32 116.25 117.01 2rce h VAL 97 Ca -0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 2rce h VAL 97 Cb 0.56 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2rce h VAL 97 CO 0.03 0.59 -0.40 2.30 0.02 0.00 0.00 177.57 180.12 2rce n ILE 98 N -4.03 0.00 -1.59 4.57 -6.64 -1.13 -4.54 119.36 105.99 2rce n ILE 98 Ca -0.07 -0.17 -0.52 0.00 -1.77 0.00 0.00 62.75 60.22 2rce n ILE 98 Cb 0.68 0.77 -0.06 0.00 -1.44 0.00 0.00 39.64 39.59 2rce n ILE 98 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2rce n ASN 99 N -0.48 1.62 -3.68 7.28 3.02 -0.59 -3.13 115.26 119.29 2rce n ASN 99 Ca 0.10 1.12 -0.25 0.00 -0.03 0.00 0.00 54.58 55.52 2rce n ASN 99 Cb 0.40 -1.18 0.06 0.00 -0.61 0.00 0.00 39.78 38.44 2rce n ASN 99 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2rce n ASP 100 N 2.56 -4.75 -4.86 6.41 2.03 -1.26 -4.99 116.55 111.69 2rce n ASP 100 Ca 0.19 -0.65 -0.36 0.00 0.52 0.00 0.00 54.79 54.48 2rce n ASP 100 Cb 0.19 -4.59 -0.06 0.00 -0.72 0.00 0.00 41.12 35.94 2rce n ASP 100 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rce s ALA 101 N -3.36 3.73 0.03 -1.67 0.00 -1.18 -4.94 121.76 114.36 2rce s ALA 101 Ca 0.47 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.19 2rce s ALA 101 Cb -0.22 -2.29 -0.20 0.00 0.00 0.00 0.00 23.12 20.41 2rce s ALA 101 CO 0.77 0.54 1.05 -0.44 0.00 0.00 0.00 175.76 177.68 2rce h ASP 102 N 4.12 0.00 -3.23 0.00 3.32 -1.44 -3.47 116.42 115.72 2rce h ASP 102 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 2rce h ASP 102 Cb 1.20 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.52 2rce h ASP 102 CO 0.64 0.95 -0.13 -1.58 -1.72 0.00 0.00 179.24 177.40 2rce s GLN 103 N -2.70 0.56 -0.23 3.56 0.74 -0.85 -5.03 119.66 115.72 2rce s GLN 103 Ca -0.01 0.98 -0.07 0.00 0.05 0.00 0.00 55.36 56.31 2rce s GLN 103 Cb 0.09 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.27 2rce s GLN 103 CO 0.82 -0.14 0.05 0.42 -0.55 0.00 0.00 175.29 175.88 2rce s ILE 104 N 1.35 4.20 -0.10 -2.34 1.01 -1.26 -0.52 121.20 123.54 2rce s ILE 104 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2rce s ILE 104 Cb -0.06 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2rce s ILE 104 CO -0.14 0.37 -0.03 -0.63 0.00 0.00 0.00 174.94 174.51 2rce s ILE 105 N 1.37 3.97 -0.16 2.92 -1.09 -0.21 -0.44 121.20 127.56 2rce s ILE 105 Ca 0.05 -0.36 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2rce s ILE 105 Cb -0.15 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.06 2rce s ILE 105 CO 0.03 0.56 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.42 2rce s VAL 106 N -0.44 2.25 -0.16 2.92 1.01 0.52 -0.26 120.40 126.24 2rce s VAL 106 Ca 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2rce s VAL 106 Cb -0.12 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2rce s VAL 106 CO 0.02 0.53 -0.12 0.00 0.00 0.00 0.00 175.10 175.53 2rce s ALA 107 N 1.03 2.62 0.36 5.51 0.00 -0.08 -0.62 121.76 130.59 2rce s ALA 107 Ca -0.01 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2rce s ALA 107 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 2rce s ALA 107 CO -0.06 0.03 0.60 -0.51 0.00 0.00 0.00 175.76 175.83 2rce s LEU 108 N 0.71 3.94 0.50 0.00 1.02 0.26 -1.12 118.68 123.99 2rce s LEU 108 Ca -0.06 0.63 0.31 0.00 0.02 0.00 0.00 54.13 55.04 2rce s LEU 108 Cb -0.15 -3.50 1.23 0.00 0.02 0.00 0.00 46.19 43.78 2rce s LEU 108 CO 0.02 -0.34 1.91 1.56 0.02 0.00 0.00 176.35 179.53 2rce h GLN 109 N 0.87 0.00 0.00 1.70 1.08 -1.80 -2.18 115.11 114.77 2rce h GLN 109 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2rce h GLN 109 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 2rce h GLN 109 CO 0.63 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 178.11 2rce n ASP 110 N -2.95 0.00 0.00 1.46 5.68 -1.26 -4.91 116.55 114.57 2rce n ASP 110 Ca 0.01 -0.47 0.00 0.00 -0.50 0.00 0.00 54.79 53.84 2rce n ASP 110 Cb 0.31 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2rce n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rce n GLY 111 N 1.07 0.28 3.75 6.12 0.00 -0.82 -5.07 105.19 110.52 2rce n GLY 111 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2rce n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rce s ARG 112 N -0.84 4.62 -0.08 1.61 0.52 -1.26 -4.85 118.95 118.67 2rce s ARG 112 Ca 0.00 1.79 0.03 0.00 -0.52 0.00 0.00 55.73 57.03 2rce s ARG 112 Cb 0.00 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.27 2rce s ARG 112 CO 0.00 0.16 -0.17 0.08 0.02 0.00 0.00 175.30 175.39 2rce s VAL 113 N -0.88 1.54 0.08 3.52 1.01 -1.26 -0.57 120.40 123.84 2rce s VAL 113 Ca 0.46 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.79 2rce s VAL 113 Cb -0.31 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2rce s VAL 113 CO 0.39 0.45 -0.16 -0.36 0.00 0.00 0.00 175.10 175.42 2rce s PHE 114 N 0.54 1.38 -0.04 5.22 0.40 0.21 -4.99 117.98 120.70 2rce s PHE 114 Ca -0.16 -0.46 -0.26 0.00 -0.60 0.00 0.00 56.93 55.45 2rce s PHE 114 Cb -0.17 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 2rce s PHE 114 CO 0.06 0.10 0.80 -2.00 0.70 0.00 0.00 175.22 174.88 2rce s GLU 115 N -1.86 4.48 0.02 0.44 2.12 -1.26 -0.36 118.70 122.28 2rce s GLU 115 Ca 0.01 1.08 -0.02 0.00 0.36 0.00 0.00 54.97 56.40 2rce s GLU 115 Cb -0.10 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2rce s GLU 115 CO 0.03 0.02 0.19 0.00 -0.54 0.00 0.00 175.26 174.96 2rce s ALA 116 N 0.89 3.98 -0.12 6.30 0.00 0.41 -4.67 121.76 128.55 2rce s ALA 116 Ca 0.43 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 2rce s ALA 116 Cb -0.19 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2rce s ALA 116 CO 0.22 0.78 0.08 -0.51 0.00 0.00 0.00 175.76 176.33 2rce s LEU 117 N -2.16 4.04 -0.36 0.00 1.43 0.21 -4.39 118.68 117.44 2rce s LEU 117 Ca 0.30 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 2rce s LEU 117 Cb -0.13 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2rce s LEU 117 CO 0.22 0.36 1.30 -0.22 0.23 0.00 0.00 176.35 178.25 2rce s LEU 118 N -0.75 3.75 -0.02 1.79 1.98 -1.26 -0.43 118.68 123.73 2rce s LEU 118 Ca 0.13 0.96 -0.20 0.00 -2.89 0.00 0.00 54.13 52.12 2rce s LEU 118 Cb -0.12 -3.54 -0.30 0.00 0.66 0.00 0.00 46.19 42.89 2rce s LEU 118 CO 0.03 -1.21 0.97 0.58 -1.89 0.00 0.00 176.35 174.82 2rce h VAL 119 N 6.16 1.46 0.00 1.68 2.07 -1.31 -3.48 116.25 122.82 2rce h VAL 119 Ca -0.26 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 64.82 2rce h VAL 119 Cb 1.09 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.88 2rce h VAL 119 CO 1.06 0.70 0.00 0.61 0.02 0.00 0.00 177.57 179.97 2rce n GLY 120 N 1.52 0.93 3.12 2.17 0.00 -1.19 -4.87 105.19 106.86 2rce n GLY 120 Ca -0.13 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 2rce n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rce s SER 121 N 0.00 0.30 -0.18 1.61 1.04 -1.26 -0.46 113.70 114.75 2rce s SER 121 Ca 0.00 -0.76 -0.00 0.00 0.48 0.00 0.00 55.95 55.67 2rce s SER 121 Cb 0.00 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.40 2rce s SER 121 CO 0.00 -0.59 -0.05 -0.62 0.98 0.00 0.00 173.24 172.96 2rce s ASP 122 N -2.59 2.97 0.27 7.02 2.15 0.84 -4.99 116.67 122.33 2rce s ASP 122 Ca 0.02 -0.74 0.09 0.00 0.43 0.00 0.00 52.55 52.35 2rce s ASP 122 Cb 0.04 -0.94 0.35 0.00 -0.30 0.00 0.00 42.92 42.06 2rce s ASP 122 CO -0.08 -0.19 1.61 0.77 -0.17 0.00 0.00 175.17 177.10 2rce h SER 123 N 8.10 0.09 -0.54 -0.34 4.64 -1.95 0.17 113.55 123.72 2rce h SER 123 Ca -0.23 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2rce h SER 123 Cb 1.11 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 2rce h SER 123 CO 0.40 0.66 0.33 0.25 -0.87 0.00 0.00 176.83 177.61 2rce h LEU 124 N 0.06 0.65 -0.19 5.97 6.46 -1.96 -3.14 115.31 123.16 2rce h LEU 124 Ca -0.01 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2rce h LEU 124 Cb 1.07 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2rce h LEU 124 CO 0.08 0.50 -0.40 0.35 -0.62 0.00 0.00 178.44 178.35 2rce n THR 125 N -4.43 0.00 -1.61 1.05 -2.24 -1.17 -5.00 114.28 100.88 2rce n THR 125 Ca 0.05 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 2rce n THR 125 Cb 0.07 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2rce n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2rce n ASP 126 N -0.99 -4.59 -4.84 3.42 2.03 0.57 -5.01 116.55 107.15 2rce n ASP 126 Ca 0.02 0.26 -0.32 0.00 0.52 0.00 0.00 54.79 55.28 2rce n ASP 126 Cb 0.17 -3.42 -0.06 0.00 -0.72 0.00 0.00 41.12 37.09 2rce n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2rce s LEU 127 N -3.38 4.08 0.06 -2.67 1.43 -1.00 -1.41 118.68 115.79 2rce s LEU 127 Ca 0.00 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2rce s LEU 127 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2rce s LEU 127 CO 0.00 0.22 -0.09 0.00 0.23 0.00 0.00 176.35 176.71 2rce s ALA 128 N -1.35 0.78 -0.09 4.21 0.00 -0.68 -0.11 121.76 124.51 2rce s ALA 128 Ca 0.29 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.37 2rce s ALA 128 Cb -0.12 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 2rce s ALA 128 CO 0.21 -0.00 -0.18 0.08 0.00 0.00 0.00 175.76 175.87 2rce s VAL 129 N -1.66 2.69 0.34 0.00 1.01 0.39 -0.95 120.40 122.22 2rce s VAL 129 Ca -0.05 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.20 2rce s VAL 129 Cb -0.08 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2rce s VAL 129 CO 0.00 0.56 0.00 -0.76 0.00 0.00 0.00 175.10 174.90 2rce s LEU 130 N -0.03 2.97 -0.05 3.92 1.43 0.12 -0.86 118.68 126.18 2rce s LEU 130 Ca -0.05 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 2rce s LEU 130 Cb -0.14 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.76 2rce s LEU 130 CO 0.04 -0.23 -0.03 -0.75 0.23 0.00 0.00 176.35 175.62 2rce s LYS 131 N -3.71 0.70 0.24 1.70 2.47 0.43 -1.00 119.74 120.57 2rce s LYS 131 Ca 0.34 -0.04 0.11 0.00 -1.56 0.00 0.00 55.97 54.82 2rce s LYS 131 Cb -0.00 -0.79 -0.05 0.00 -1.46 0.00 0.00 37.83 35.53 2rce s LYS 131 CO 0.19 -0.12 -0.15 0.96 0.16 0.00 0.00 175.35 176.38 2rce s ILE 132 N 1.09 2.76 -0.08 5.43 -4.36 -0.26 -0.62 121.20 125.15 2rce s ILE 132 Ca -0.09 -2.08 -0.30 0.00 -0.26 0.00 0.00 60.65 57.92 2rce s ILE 132 Cb -0.14 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 2rce s ILE 132 CO -0.01 -0.27 1.23 0.20 0.24 0.00 0.00 174.94 176.33 2rce s ASN 133 N -3.20 7.01 -0.58 4.36 0.01 -1.26 -4.46 114.94 116.82 2rce s ASN 133 Ca 0.27 1.80 0.06 0.00 -0.71 0.00 0.00 52.86 54.28 2rce s ASN 133 Cb -0.07 -2.55 0.31 0.00 0.41 0.00 0.00 41.25 39.36 2rce s ASN 133 CO 0.15 -0.64 0.87 0.00 -1.51 0.00 0.00 177.10 175.96 2rce n ALA 134 N 5.60 4.28 0.11 0.60 0.00 -1.26 -4.87 120.51 124.96 2rce n ALA 134 Ca 0.12 -4.60 -0.05 0.00 0.00 0.00 0.00 53.44 48.91 2rce n ALA 134 Cb 0.46 -0.79 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 2rce n ALA 134 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2rce h THR 135 N 2.86 0.00 -3.59 0.00 2.02 -1.93 -3.43 112.91 108.85 2rce h THR 135 Ca 0.14 -0.39 -0.52 0.00 0.77 0.00 0.00 66.41 66.42 2rce h THR 135 Cb 0.58 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2rce h THR 135 CO 0.79 0.00 0.56 -0.83 0.37 0.00 0.00 175.52 176.42 2rce s GLY 136 N -2.46 2.77 0.36 2.16 0.00 -1.26 -4.96 107.32 103.93 2rce s GLY 136 Ca -0.05 1.00 -0.23 0.00 0.00 0.00 0.00 44.72 45.44 2rce s GLY 136 CO 0.14 1.82 0.33 0.61 0.00 0.00 0.00 173.10 175.99 2rce n GLY 137 N 1.83 -2.13 3.56 0.20 0.00 -1.26 -5.01 105.19 102.38 2rce n GLY 137 Ca 0.03 0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2rce n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rce s LEU 138 N 3.27 3.03 0.29 0.99 1.43 -1.26 -5.11 118.68 121.32 2rce s LEU 138 Ca 0.61 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 2rce s LEU 138 Cb -0.70 -1.76 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 2rce s LEU 138 CO 0.60 0.27 1.14 -2.16 0.23 0.00 0.00 176.35 176.42 2rce s PRO 139 N -1.49 4.58 0.15 1.29 0.04 -1.26 -4.88 135.00 133.43 2rce s PRO 139 Ca 0.17 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.18 2rce s PRO 139 Cb -0.11 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2rce s PRO 139 CO 0.08 0.13 -0.22 0.95 0.04 0.00 0.00 177.00 177.98 2rce s THR 140 N -1.17 1.98 0.14 1.26 -4.23 -1.26 -4.58 115.64 107.77 2rce s THR 140 Ca 0.45 -1.82 -0.30 0.00 -1.18 0.00 0.00 61.69 58.84 2rce s THR 140 Cb -0.33 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 71.59 2rce s THR 140 CO 0.43 -0.14 1.17 -0.51 -0.54 0.00 0.00 174.62 175.03 2rce s ILE 141 N -1.58 3.83 0.17 2.99 1.10 -0.56 -4.74 121.20 122.42 2rce s ILE 141 Ca 0.14 1.46 -0.31 0.00 -0.51 0.00 0.00 60.65 61.43 2rce s ILE 141 Cb -0.08 -3.93 -0.10 0.00 0.15 0.00 0.00 42.46 38.50 2rce s ILE 141 CO 0.07 0.20 1.52 -2.84 -2.11 0.00 0.00 174.94 171.77 2rce s PRO 142 N 0.19 4.24 -0.11 3.50 0.02 -1.26 -4.95 135.00 136.64 2rce s PRO 142 Ca 0.54 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2rce s PRO 142 Cb -0.30 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.07 2rce s PRO 142 CO 0.33 -0.55 -0.10 0.42 -0.33 0.00 0.00 177.00 176.77 2rce s ILE 143 N 0.98 1.17 -0.50 2.83 1.01 -1.26 -0.83 121.20 124.59 2rce s ILE 143 Ca 0.68 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 2rce s ILE 143 Cb -0.42 -1.13 0.13 0.00 0.01 0.00 0.00 42.46 41.05 2rce s ILE 143 CO 0.33 0.38 0.35 0.21 0.00 0.00 0.00 174.94 176.21 2rce s ASN 144 N 1.37 5.56 0.47 3.58 3.84 -1.26 -4.96 114.94 123.53 2rce s ASN 144 Ca -0.01 -2.17 0.32 0.00 0.21 0.00 0.00 52.86 51.21 2rce s ASN 144 Cb -0.14 -1.94 1.59 0.00 -0.55 0.00 0.00 41.25 40.22 2rce s ASN 144 CO -0.05 -0.59 1.96 0.00 -2.79 0.00 0.00 177.10 175.64 2rce h ALA 145 N 8.03 1.00 -0.00 1.71 0.00 -1.98 -1.98 119.26 126.04 2rce h ALA 145 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2rce h ALA 145 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2rce h ALA 145 CO 0.78 0.00 -0.72 0.54 0.00 0.00 0.00 179.25 179.86 2rce n ARG 146 N -2.67 0.29 -2.26 0.00 1.74 -1.26 -4.92 116.66 107.57 2rce n ARG 146 Ca -0.01 -0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.43 2rce n ARG 146 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2rce n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2rce s ARG 147 N -2.86 4.31 -0.34 5.56 6.06 -0.75 -5.01 118.95 125.92 2rce s ARG 147 Ca 0.12 1.93 -0.12 0.00 -2.50 0.00 0.00 55.73 55.16 2rce s ARG 147 Cb 0.17 -3.49 -0.01 0.00 0.06 0.00 0.00 34.95 31.68 2rce s ARG 147 CO 0.74 -0.50 0.22 0.08 -2.50 0.00 0.00 175.30 173.34 2rce s VAL 148 N 2.01 5.04 0.25 7.11 1.01 -1.26 -5.04 120.40 129.53 2rce s VAL 148 Ca 0.63 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2rce s VAL 148 Cb -0.31 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 2rce s VAL 148 CO 0.27 -0.02 1.53 -2.84 0.00 0.00 0.00 175.10 174.03 2rce s PRO 149 N 1.68 4.20 0.06 2.72 0.02 -1.26 -5.02 135.00 137.41 2rce s PRO 149 Ca 0.05 2.42 0.09 0.00 0.02 0.00 0.00 61.00 63.59 2rce s PRO 149 Cb -0.18 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 2rce s PRO 149 CO 0.09 -0.54 -0.24 -1.01 -0.33 0.00 0.00 177.00 174.97 2rce s HIS 150 N 0.24 2.38 0.13 6.54 3.76 -1.26 -5.08 115.29 122.00 2rce s HIS 150 Ca 0.63 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.86 2rce s HIS 150 Cb -0.45 -1.38 -0.10 0.00 1.11 0.00 0.00 32.58 31.76 2rce s HIS 150 CO 0.42 0.20 1.77 0.42 -0.85 0.00 0.00 174.74 176.71 2rce s ILE 151 N -0.89 2.51 0.00 0.60 1.01 -1.26 -1.76 121.20 121.41 2rce s ILE 151 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2rce s ILE 151 Cb -0.10 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2rce s ILE 151 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2rce n GLY 152 N 4.13 0.09 3.74 6.18 0.00 0.09 -4.98 105.19 114.44 2rce n GLY 152 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2rce n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rce s ASP 153 N -2.17 6.58 0.16 1.61 1.11 -0.72 -4.71 116.67 118.53 2rce s ASP 153 Ca 0.00 2.72 -0.31 0.00 0.18 0.00 0.00 52.55 55.14 2rce s ASP 153 Cb 0.00 -2.62 -0.09 0.00 1.07 0.00 0.00 42.92 41.28 2rce s ASP 153 CO 0.00 -0.77 1.47 -0.69 1.18 0.00 0.00 175.17 176.36 2rce s VAL 154 N 0.17 2.94 0.08 -1.27 1.01 -1.26 -0.88 120.40 121.19 2rce s VAL 154 Ca 0.62 0.69 0.04 0.00 0.00 0.00 0.00 61.98 63.33 2rce s VAL 154 Cb -0.43 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2rce s VAL 154 CO 0.42 0.06 -0.12 0.68 0.00 0.00 0.00 175.10 176.15 2rce s VAL 155 N 0.93 1.01 -0.10 2.92 -7.23 -0.16 -3.43 120.40 114.34 2rce s VAL 155 Ca 0.66 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 2rce s VAL 155 Cb -0.40 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 2rce s VAL 155 CO 0.33 -0.36 -0.23 -0.76 -0.31 0.00 0.00 175.10 173.76 2rce s LEU 156 N -1.99 2.14 -0.14 1.32 1.43 0.88 -1.13 118.68 121.20 2rce s LEU 156 Ca 0.00 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 2rce s LEU 156 Cb -0.07 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 2rce s LEU 156 CO 0.01 0.17 0.34 0.00 0.23 0.00 0.00 176.35 177.10 2rce s ALA 157 N 0.27 3.59 -0.13 4.21 0.00 0.42 -1.18 121.76 128.92 2rce s ALA 157 Ca -0.16 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2rce s ALA 157 Cb -0.17 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.53 2rce s ALA 157 CO 0.08 0.12 -0.17 0.42 0.00 0.00 0.00 175.76 176.21 2rce s ILE 158 N 0.31 1.71 0.02 0.00 1.01 0.32 -1.57 121.20 123.00 2rce s ILE 158 Ca 0.19 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 2rce s ILE 158 Cb -0.14 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.80 2rce s ILE 158 CO 0.06 0.48 0.21 0.61 0.00 0.00 0.00 174.94 176.30 2rce n GLY 159 N 4.37 0.89 2.44 6.18 0.00 -1.05 -2.04 105.19 115.99 2rce n GLY 159 Ca -0.19 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 2rce n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rce n ASN 160 N -0.53 3.87 -4.73 1.61 5.15 -1.13 -0.02 115.26 119.48 2rce n ASN 160 Ca 0.00 -3.45 -0.42 0.00 -0.60 0.00 0.00 54.58 50.11 2rce n ASN 160 Cb 0.11 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 38.64 2rce n ASN 160 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2rce s PRO 161 N -2.52 4.35 -1.58 1.20 0.04 -1.26 -3.10 135.00 132.14 2rce s PRO 161 Ca 0.40 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2rce s PRO 161 Cb 0.15 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2rce s PRO 161 CO -0.01 -0.33 0.00 0.66 0.04 0.00 0.00 177.00 177.36 2rce n TYR 162 N 2.88 -0.51 -3.10 0.56 4.02 0.29 -1.70 117.16 119.60 2rce n TYR 162 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.74 2rce n TYR 162 Cb 0.42 -2.95 0.02 0.00 -0.02 0.00 0.00 39.34 36.81 2rce n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2rce n ASN 163 N -1.06 -5.38 0.20 7.72 5.15 -1.18 -4.87 115.26 115.84 2rce n ASN 163 Ca -0.16 -0.30 0.13 0.00 -0.60 0.00 0.00 54.58 53.65 2rce n ASN 163 Cb 0.55 -4.37 0.36 0.00 -0.53 0.00 0.00 39.78 35.78 2rce n ASN 163 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2rce h LEU 164 N -1.23 0.00 0.00 1.20 3.38 -1.57 -3.50 115.31 113.60 2rce h LEU 164 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2rce h LEU 164 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2rce h LEU 164 CO 0.55 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.69 2rce n GLY 165 N 0.82 2.16 3.62 0.83 0.00 -1.26 -5.02 105.19 106.34 2rce n GLY 165 Ca 0.03 -2.03 -0.52 0.00 0.00 0.00 0.00 46.02 43.51 2rce n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2rce n GLN 166 N 0.58 1.34 -4.68 1.61 7.27 -1.26 -4.43 117.38 117.81 2rce n GLN 166 Ca 0.00 0.48 -0.24 0.00 0.07 0.00 0.00 57.00 57.31 2rce n GLN 166 Cb 0.00 -2.16 -0.16 0.00 2.41 0.00 0.00 30.24 30.33 2rce n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2rce s THR 167 N 0.99 1.21 -0.19 1.69 2.01 0.97 -4.97 115.64 117.35 2rce s THR 167 Ca 0.85 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 62.22 2rce s THR 167 Cb -0.92 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2rce s THR 167 CO 0.48 0.36 0.00 -0.63 -0.69 0.00 0.00 174.62 174.14 2rce s ILE 168 N 0.15 4.08 0.16 1.82 -1.09 -1.26 -2.52 121.20 122.54 2rce s ILE 168 Ca -0.05 -0.28 0.09 0.00 -2.23 0.00 0.00 60.65 58.18 2rce s ILE 168 Cb -0.11 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2rce s ILE 168 CO 0.02 0.45 -0.19 0.42 -1.23 0.00 0.00 174.94 174.41 2rce s THR 169 N 0.76 1.82 -0.03 2.92 -4.23 -0.61 -4.96 115.64 111.31 2rce s THR 169 Ca 0.00 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 58.72 2rce s THR 169 Cb -0.14 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 2rce s THR 169 CO 0.02 -0.27 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.01 2rce s GLN 170 N -2.66 2.03 0.00 3.99 -0.44 -1.26 -0.44 119.66 120.88 2rce s GLN 170 Ca 0.14 -0.85 0.00 0.00 -2.50 0.00 0.00 55.36 52.15 2rce s GLN 170 Cb -0.06 -1.91 0.00 0.00 -1.64 0.00 0.00 33.01 29.40 2rce s GLN 170 CO 0.06 0.48 0.00 0.41 0.50 0.00 0.00 175.29 176.75 2rce n GLY 171 N 2.59 3.67 3.32 2.59 0.00 -0.28 -4.34 105.19 112.73 2rce n GLY 171 Ca -0.16 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 2rce n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rce s ILE 172 N -1.14 0.69 -0.21 -0.61 -4.36 -1.26 -0.99 121.20 113.32 2rce s ILE 172 Ca 0.00 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.10 2rce s ILE 172 Cb 0.00 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 2rce s ILE 172 CO 0.00 -0.12 1.30 -0.63 0.24 0.00 0.00 174.94 175.72 2rce s ILE 173 N -3.66 4.20 -0.14 8.37 1.01 -0.06 -3.13 121.20 127.79 2rce s ILE 173 Ca 0.34 1.42 0.18 0.00 0.00 0.00 0.00 60.65 62.59 2rce s ILE 173 Cb 0.07 -4.04 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 2rce s ILE 173 CO 0.12 -0.26 0.84 -1.20 0.00 0.00 0.00 174.94 174.44 2rce n SER 174 N 7.05 0.83 -3.59 3.58 7.64 0.15 -0.73 113.62 128.56 2rce n SER 174 Ca 0.14 0.36 -0.05 0.00 1.01 0.00 0.00 58.87 60.34 2rce n SER 174 Cb 0.45 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.89 2rce n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rce s ALA 175 N -3.00 -2.05 0.24 -0.43 0.00 -1.18 -4.91 121.76 110.42 2rce s ALA 175 Ca -0.03 1.52 0.05 0.00 0.00 0.00 0.00 51.96 53.50 2rce s ALA 175 Cb 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 2rce s ALA 175 CO 0.81 -0.62 -0.03 0.95 0.00 0.00 0.00 175.76 176.87 2rce s THR 176 N -2.48 1.30 -1.07 0.00 -4.23 -1.26 -1.06 115.64 106.83 2rce s THR 176 Ca 0.09 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 2rce s THR 176 Cb -0.01 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.49 2rce s THR 176 CO -0.05 -0.35 0.93 0.61 -0.54 0.00 0.00 174.62 175.22 2rce n GLY 177 N -0.47 -0.24 3.92 3.99 0.00 -0.78 -4.94 105.19 106.66 2rce n GLY 177 Ca -0.06 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2rce n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rce s ARG 178 N -5.87 3.55 0.00 1.61 1.81 -0.41 -4.68 118.95 114.96 2rce s ARG 178 Ca 0.38 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 54.14 2rce s ARG 178 Cb -0.17 -2.78 0.00 0.00 -0.45 0.00 0.00 34.95 31.55 2rce s ARG 178 CO 0.59 0.34 0.00 -0.89 -0.68 0.00 0.00 175.30 174.66 2rce n ILE 179 N -0.78 0.00 -3.51 1.52 2.08 -1.26 -0.56 119.36 116.86 2rce n ILE 179 Ca -0.04 0.00 -0.41 0.00 0.56 0.00 0.00 62.75 62.86 2rce n ILE 179 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.32 2rce n ILE 179 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2rce s ASN 188 N 0.00 6.05 0.09 4.38 2.47 -1.26 -5.28 114.94 121.39 2rce s ASN 188 Ca 0.00 -0.62 0.08 0.00 0.42 0.00 0.00 52.86 52.74 2rce s ASN 188 Cb 0.00 -2.14 -0.03 0.00 -1.45 0.00 0.00 41.25 37.63 2rce s ASN 188 CO 0.00 -0.32 -0.20 -0.36 -3.72 0.00 0.00 177.10 172.51 2rce s PHE 189 N 1.70 1.68 0.15 0.43 0.08 0.28 -4.41 117.98 117.89 2rce s PHE 189 Ca 0.05 -0.42 -0.26 0.00 0.12 0.00 0.00 56.93 56.42 2rce s PHE 189 Cb -0.18 -0.93 -0.08 0.00 -0.57 0.00 0.00 43.02 41.26 2rce s PHE 189 CO 0.10 0.17 0.81 -0.51 -0.10 0.00 0.00 175.22 175.69 2rce s LEU 190 N -1.81 4.57 -0.07 -0.37 1.43 0.24 -1.28 118.68 121.39 2rce s LEU 190 Ca 0.05 1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 2rce s LEU 190 Cb -0.10 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2rce s LEU 190 CO 0.04 0.15 0.03 -1.58 0.23 0.00 0.00 176.35 175.22 2rce s GLN 191 N -0.90 3.03 0.03 1.70 0.74 -0.23 -0.70 119.66 123.33 2rce s GLN 191 Ca 0.38 -0.41 -0.06 0.00 0.05 0.00 0.00 55.36 55.32 2rce s GLN 191 Cb -0.23 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 2rce s GLN 191 CO 0.27 0.70 0.11 -0.08 -0.55 0.00 0.00 175.29 175.73 2rce s THR 192 N -0.98 0.11 -1.77 -0.34 -1.32 0.42 0.34 115.64 112.11 2rce s THR 192 Ca 0.16 -0.93 0.20 0.00 -1.21 0.00 0.00 61.69 59.90 2rce s THR 192 Cb -0.12 -0.70 0.56 0.00 -1.51 0.00 0.00 72.50 70.73 2rce s THR 192 CO 0.05 -0.51 1.46 -0.90 -2.21 0.00 0.00 174.62 172.51 2rce n ASP 193 N 1.04 3.70 -4.67 8.08 5.75 -1.18 -1.19 116.55 128.07 2rce n ASP 193 Ca -0.21 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.16 2rce n ASP 193 Cb 0.57 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 40.22 2rce n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rce s ALA 194 N -1.03 3.66 0.03 2.12 0.00 -1.26 -4.67 121.76 120.61 2rce s ALA 194 Ca 0.43 1.27 -0.33 0.00 0.00 0.00 0.00 51.96 53.33 2rce s ALA 194 Cb 0.22 -3.78 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 2rce s ALA 194 CO 0.29 -1.36 1.81 0.43 0.00 0.00 0.00 175.76 176.94 2rce n SER 195 N 6.60 3.59 -4.17 0.00 7.64 -1.26 -4.86 113.62 121.16 2rce n SER 195 Ca 0.18 0.99 -0.29 0.00 1.01 0.00 0.00 58.87 60.76 2rce n SER 195 Cb 0.40 -1.44 -0.17 0.00 -1.01 0.00 0.00 64.21 62.00 2rce n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2rce s ILE 196 N 3.08 1.73 0.28 0.44 -1.09 -1.26 -4.77 121.20 119.60 2rce s ILE 196 Ca 0.87 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 2rce s ILE 196 Cb -0.61 -1.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 2rce s ILE 196 CO 0.44 0.49 0.10 0.20 -1.23 0.00 0.00 174.94 174.94 2rce s ASN 197 N 0.22 1.47 -0.09 3.58 0.01 -1.26 -4.95 114.94 113.93 2rce s ASN 197 Ca -0.11 -1.41 -0.35 0.00 -0.71 0.00 0.00 52.86 50.28 2rce s ASN 197 Cb -0.15 0.16 -0.13 0.00 0.41 0.00 0.00 41.25 41.54 2rce s ASN 197 CO 0.05 -0.74 1.83 1.57 -1.51 0.00 0.00 177.10 178.30 2rce n HIS 198 N -0.53 2.27 0.00 2.20 -0.00 -1.26 -0.91 115.22 116.99 2rce n HIS 198 Ca -0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2rce n HIS 198 Cb 0.66 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 2rce n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2rce n GLY 199 N 4.25 2.33 3.57 1.57 0.00 -1.26 -0.55 105.19 115.11 2rce n GLY 199 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2rce n GLY 199 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rce s ASN 200 N -1.65 6.43 0.00 1.61 -0.87 -0.09 -2.82 114.94 117.55 2rce s ASN 200 Ca 0.00 -1.72 0.00 0.00 -1.57 0.00 0.00 52.86 49.57 2rce s ASN 200 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 2rce s ASN 200 CO 0.00 -1.58 0.00 0.61 -2.57 0.00 0.00 177.10 173.56 2rce n GLY 202 N 6.36 0.00 2.82 0.66 0.00 0.75 -4.56 105.19 111.22 2rce n GLY 202 Ca 0.39 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 2rce n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rce n GLY 203 N 0.01 -0.92 3.83 -0.02 0.00 -1.26 -3.36 105.19 103.47 2rce n GLY 203 Ca 0.00 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 2rce n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rce s ALA 204 N -3.77 3.73 -0.24 4.61 0.00 -0.86 -1.08 121.76 124.15 2rce s ALA 204 Ca 0.53 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 2rce s ALA 204 Cb -0.02 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.30 2rce s ALA 204 CO 0.37 0.64 -0.02 -1.17 0.00 0.00 0.00 175.76 175.58 2rce s LEU 205 N -1.23 3.11 0.17 0.00 2.96 -0.08 -0.52 118.68 123.09 2rce s LEU 205 Ca 0.18 -0.49 0.09 0.00 -0.22 0.00 0.00 54.13 53.68 2rce s LEU 205 Cb -0.12 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2rce s LEU 205 CO 0.07 -0.06 -0.19 0.68 -1.32 0.00 0.00 176.35 175.53 2rce s VAL 206 N 1.47 1.94 0.56 1.68 -7.23 -0.33 0.49 120.40 118.99 2rce s VAL 206 Ca 0.05 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 2rce s VAL 206 Cb -0.15 -1.91 0.12 0.00 0.56 0.00 0.00 36.38 35.00 2rce s VAL 206 CO -0.02 -0.27 0.77 -0.46 -0.31 0.00 0.00 175.10 174.80 2rce n ASN 207 N 0.27 0.35 0.00 4.85 0.23 -0.65 -0.08 115.26 120.22 2rce n ASN 207 Ca -0.13 -1.45 0.05 0.00 -0.53 0.00 0.00 54.58 52.51 2rce n ASN 207 Cb 0.57 -0.56 0.21 0.00 -2.08 0.00 0.00 39.78 37.92 2rce n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2rce n SER 208 N -3.33 0.00 -0.33 0.53 3.41 -1.22 -1.04 113.62 111.64 2rce n SER 208 Ca 0.11 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2rce n SER 208 Cb 0.37 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 63.95 2rce n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rce n LEU 209 N -1.45 1.54 0.00 1.04 4.77 -1.26 -3.97 117.00 117.66 2rce n LEU 209 Ca 0.03 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 2rce n LEU 209 Cb 0.10 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2rce n LEU 209 CO 0.09 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2rce n GLY 210 N 1.42 0.75 3.73 -0.72 0.00 -0.20 -4.73 105.19 105.44 2rce n GLY 210 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2rce n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rce s GLU 211 N -0.36 4.64 0.09 1.61 2.02 -1.26 -4.23 118.70 121.20 2rce s GLU 211 Ca 0.00 1.57 -0.31 0.00 0.02 0.00 0.00 54.97 56.25 2rce s GLU 211 Cb 0.00 -3.34 -0.09 0.00 0.10 0.00 0.00 34.13 30.79 2rce s GLU 211 CO 0.00 0.12 1.77 -1.17 0.02 0.00 0.00 175.26 176.00 2rce s LEU 212 N 0.00 4.39 -0.19 1.80 2.96 -0.01 -1.64 118.68 125.98 2rce s LEU 212 Ca 0.49 2.62 0.05 0.00 -0.22 0.00 0.00 54.13 57.08 2rce s LEU 212 Cb -0.26 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.72 2rce s LEU 212 CO 0.31 -0.96 -0.12 0.23 -1.32 0.00 0.00 176.35 174.49 2rce n MET 213 N 5.93 0.76 -3.86 1.98 2.81 0.18 -4.77 117.12 120.15 2rce n MET 213 Ca 0.17 0.08 -0.02 0.00 -1.81 0.00 0.00 57.70 56.13 2rce n MET 213 Cb 0.40 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.50 2rce n MET 213 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2rce s GLY 214 N -5.73 -0.02 -0.27 3.03 0.00 -0.89 -1.32 107.32 102.13 2rce s GLY 214 Ca -0.22 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 2rce s GLY 214 CO 0.53 2.55 0.01 -0.42 0.00 0.00 0.00 173.10 175.77 2rce s ILE 215 N -2.30 3.51 0.17 0.90 -1.09 0.39 -0.90 121.20 121.88 2rce s ILE 215 Ca 0.21 -0.76 -0.32 0.00 -2.23 0.00 0.00 60.65 57.56 2rce s ILE 215 Cb -0.01 -2.76 -0.10 0.00 -1.58 0.00 0.00 42.46 38.00 2rce s ILE 215 CO 0.03 0.18 1.59 0.20 -1.23 0.00 0.00 174.94 175.71 2rce s ASN 216 N 1.44 6.56 0.00 3.58 0.01 -0.24 -0.54 114.94 125.75 2rce s ASN 216 Ca 0.02 2.64 0.00 0.00 -0.71 0.00 0.00 52.86 54.82 2rce s ASN 216 Cb -0.16 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.90 2rce s ASN 216 CO -0.01 -0.84 0.00 0.41 -1.51 0.00 0.00 177.10 175.15 2rce n THR 217 N 3.99 0.00 -4.11 1.60 -1.04 -0.49 -0.18 114.28 114.06 2rce n THR 217 Ca 0.14 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.02 2rce n THR 217 Cb 0.38 -0.54 -0.11 0.00 -1.82 0.00 0.00 70.33 68.24 2rce n THR 217 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2rce s LEU 218 N -4.59 2.33 -0.12 -4.42 1.43 -1.05 -4.90 118.68 107.36 2rce s LEU 218 Ca 0.00 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2rce s LEU 218 Cb 0.00 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.05 2rce s LEU 218 CO 0.00 -0.25 -0.13 -0.55 0.23 0.00 0.00 176.35 175.65 2rce s SER 219 N -2.01 2.39 0.23 2.29 0.15 -1.26 -0.82 113.70 114.67 2rce s SER 219 Ca -0.03 -0.41 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 2rce s SER 219 Cb -0.06 -1.04 -0.10 0.00 -1.71 0.00 0.00 66.02 63.11 2rce s SER 219 CO -0.01 -0.04 1.48 0.12 1.20 0.00 0.00 173.24 176.00 2rce s PHE 220 N 1.27 3.02 0.00 3.44 5.36 -0.46 -4.89 117.98 125.72 2rce s PHE 220 Ca -0.01 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 56.88 2rce s PHE 220 Cb -0.14 -3.85 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 2rce s PHE 220 CO -0.05 -2.88 0.00 -3.47 -1.46 0.00 0.00 175.22 167.36 2rce n ASP 221 N 2.75 0.00 -4.55 6.13 4.64 -1.26 -4.67 116.55 119.58 2rce n ASP 221 Ca 0.09 -0.86 -0.31 0.00 -1.38 0.00 0.00 54.79 52.33 2rce n ASP 221 Cb 0.40 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.44 2rce n ASP 221 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2rce s LYS 222 N 0.00 2.15 0.25 -0.67 1.02 -1.26 -4.77 119.74 116.46 2rce s LYS 222 Ca 0.00 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.58 2rce s LYS 222 Cb 0.00 -4.63 -0.09 0.00 -0.52 0.00 0.00 37.83 32.59 2rce s LYS 222 CO 0.00 -3.41 1.17 0.45 -0.92 0.00 0.00 175.35 172.64 2rce s SER 223 N 10.65 7.12 -0.08 2.83 0.15 -1.26 -4.92 113.70 128.19 2rce s SER 223 Ca 0.87 2.32 -0.13 0.00 0.70 0.00 0.00 55.95 59.71 2rce s SER 223 Cb -0.14 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.44 2rce s SER 223 CO 0.19 -0.29 0.47 -1.13 1.20 0.00 0.00 173.24 173.67 2rce h ASN 224 N 4.31 -0.12 -1.72 5.45 -1.24 -1.92 -3.43 115.58 116.90 2rce h ASN 224 Ca -0.46 -0.28 -0.46 0.00 0.71 0.00 0.00 56.30 55.82 2rce h ASN 224 Cb 1.21 0.03 -0.36 0.00 0.73 0.00 0.00 38.32 39.93 2rce h ASN 224 CO 0.70 0.48 -1.08 -0.67 -1.29 0.00 0.00 177.43 175.56 2rce n ASP 225 N -4.84 0.30 0.00 1.15 4.64 -1.26 -4.96 116.55 111.58 2rce n ASP 225 Ca -0.05 -3.06 0.00 0.00 -1.38 0.00 0.00 54.79 50.30 2rce n ASP 225 Cb 0.19 -0.27 0.00 0.00 -1.04 0.00 0.00 41.12 40.00 2rce n ASP 225 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2rce n GLY 226 N 0.44 2.67 3.75 0.27 0.00 -1.26 -5.02 105.19 106.04 2rce n GLY 226 Ca 0.22 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2rce n GLY 226 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rce s GLU 227 N 0.00 2.42 -0.22 1.61 1.03 -1.26 -5.02 118.70 117.26 2rce s GLU 227 Ca 0.00 1.44 -0.09 0.00 0.03 0.00 0.00 54.97 56.35 2rce s GLU 227 Cb 0.00 -1.90 -0.04 0.00 -0.80 0.00 0.00 34.13 31.39 2rce s GLU 227 CO 0.00 -1.55 0.11 0.99 -1.33 0.00 0.00 175.26 173.47 2rce s THR 228 N -2.39 4.94 0.35 1.83 2.01 -1.26 -4.49 115.64 116.63 2rce s THR 228 Ca 0.67 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 62.42 2rce s THR 228 Cb -0.22 -3.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 2rce s THR 228 CO 0.46 0.39 1.35 -2.84 -0.69 0.00 0.00 174.62 173.29 2rce s PRO 229 N 0.91 4.28 -0.06 4.92 0.02 -1.26 -5.02 135.00 138.78 2rce s PRO 229 Ca 0.05 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.41 2rce s PRO 229 Cb -0.13 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2rce s PRO 229 CO 0.03 -0.28 -0.17 -2.00 -0.33 0.00 0.00 177.00 174.24 2rce s GLU 230 N -1.89 1.99 -1.07 5.54 2.12 -1.26 -4.80 118.70 119.33 2rce s GLU 230 Ca 0.50 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2rce s GLU 230 Cb -0.41 -1.65 0.00 0.00 0.26 0.00 0.00 34.13 32.33 2rce s GLU 230 CO 0.55 0.18 0.00 0.41 -0.54 0.00 0.00 175.26 175.86 2rce n GLY 231 N 3.39 0.24 3.08 -1.50 0.00 -1.26 -5.00 105.19 104.14 2rce n GLY 231 Ca -0.20 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2rce n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rce s ILE 232 N -2.55 2.47 0.07 -0.61 1.01 -1.26 -3.65 121.20 116.67 2rce s ILE 232 Ca 0.00 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 58.82 2rce s ILE 232 Cb 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 2rce s ILE 232 CO 0.00 -0.28 -0.06 -0.83 0.00 0.00 0.00 174.94 173.78 2rce s GLY 233 N 1.14 0.58 0.01 6.18 0.00 -0.33 -1.35 107.32 113.54 2rce s GLY 233 Ca -0.01 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.66 2rce s GLY 233 CO -0.05 -1.18 -0.12 -1.36 0.00 0.00 0.00 173.10 170.38 2rce s PHE 234 N -2.92 1.08 0.04 1.90 0.08 -0.00 -0.43 117.98 117.73 2rce s PHE 234 Ca 0.02 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.87 2rce s PHE 234 Cb 0.01 -0.68 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 2rce s PHE 234 CO -0.04 -0.01 -0.12 0.00 -0.10 0.00 0.00 175.22 174.95 2rce s ALA 235 N -0.46 0.99 -0.13 5.36 0.00 0.12 -1.39 121.76 126.24 2rce s ALA 235 Ca 0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2rce s ALA 235 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2rce s ALA 235 CO 0.00 0.16 1.19 0.42 0.00 0.00 0.00 175.76 177.54 2rce s ILE 236 N -0.88 4.37 0.28 0.00 -1.09 0.30 -0.60 121.20 123.58 2rce s ILE 236 Ca -0.01 1.66 -0.28 0.00 -2.23 0.00 0.00 60.65 59.79 2rce s ILE 236 Cb -0.08 -4.07 -0.14 0.00 -1.58 0.00 0.00 42.46 36.59 2rce s ILE 236 CO 0.01 -0.09 1.03 -2.65 -1.23 0.00 0.00 174.94 172.01 2rce n PRO 237 N 5.98 1.37 0.01 2.79 -0.02 -1.26 -0.46 135.00 143.40 2rce n PRO 237 Ca 0.12 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 2rce n PRO 237 Cb 0.46 -1.86 0.44 0.00 -0.02 0.00 0.00 33.50 32.51 2rce n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2rce h PHE 238 N 2.09 0.49 -0.28 6.00 -5.15 -1.50 -1.46 116.94 117.13 2rce h PHE 238 Ca -0.40 0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.37 2rce h PHE 238 Cb 1.34 -0.16 -0.01 0.00 0.22 0.00 0.00 35.95 37.33 2rce h PHE 238 CO 0.48 0.30 0.12 1.96 -2.00 0.00 0.00 178.31 179.17 2rce h GLN 239 N 0.52 0.41 -0.28 6.09 7.50 -1.90 -1.63 115.11 125.82 2rce h GLN 239 Ca 0.15 -0.07 -0.10 0.00 0.50 0.00 0.00 58.65 59.13 2rce h GLN 239 Cb -0.03 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 2rce h GLN 239 CO -0.03 0.43 -0.26 1.25 -1.50 0.00 0.00 178.83 178.72 2rce h LEU 240 N 0.31 0.56 -0.55 1.46 5.85 -1.83 -2.51 115.31 118.60 2rce h LEU 240 Ca 0.09 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.50 2rce h LEU 240 Cb 0.16 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2rce h LEU 240 CO -0.01 0.81 -0.16 0.00 -0.34 0.00 0.00 178.44 178.74 2rce h ALA 241 N 1.24 0.75 -0.37 1.25 0.00 -1.10 -1.35 119.26 119.68 2rce h ALA 241 Ca 0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2rce h ALA 241 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2rce h ALA 241 CO 0.05 0.67 -0.39 1.15 0.00 0.00 0.00 179.25 180.74 2rce h THR 242 N 0.88 1.28 0.07 0.00 2.02 -1.28 -1.72 112.91 114.16 2rce h THR 242 Ca 0.13 -1.56 0.01 0.00 0.77 0.00 0.00 66.41 65.75 2rce h THR 242 Cb 0.73 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2rce h THR 242 CO 0.06 0.52 -0.10 0.11 0.37 0.00 0.00 175.52 176.47 2rce h LYS 243 N 0.72 -0.20 -0.39 6.66 1.57 -1.32 -1.55 116.57 122.06 2rce h LYS 243 Ca 0.06 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2rce h LYS 243 Cb 0.97 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.30 2rce h LYS 243 CO 0.09 -0.14 0.21 0.82 -0.57 0.00 0.00 179.45 179.87 2rce h ILE 244 N -0.21 1.01 -0.53 1.86 1.08 -1.23 -2.48 117.51 117.01 2rce h ILE 244 Ca 0.02 -0.15 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 2rce h ILE 244 Cb 0.22 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 2rce h ILE 244 CO -0.06 0.08 0.20 -0.03 -0.69 0.00 0.00 178.15 177.65 2rce h MET 245 N 0.43 0.37 -0.56 2.37 4.05 -1.17 -0.93 114.93 119.49 2rce h MET 245 Ca 0.16 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2rce h MET 245 Cb 0.04 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 2rce h MET 245 CO -0.09 0.25 0.29 -0.44 0.23 0.00 0.00 176.91 177.14 2rce h ASP 246 N 0.38 0.72 -0.59 1.39 3.32 -1.08 -0.76 116.42 119.80 2rce h ASP 246 Ca 0.26 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2rce h ASP 246 Cb 0.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2rce h ASP 246 CO -0.25 0.62 0.29 0.11 -1.72 0.00 0.00 179.24 178.29 2rce h LYS 247 N 0.76 0.85 -0.06 3.56 1.57 -1.09 -2.61 116.57 119.54 2rce h LYS 247 Ca 0.20 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2rce h LYS 247 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2rce h LYS 247 CO -0.03 0.68 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.04 2rce h LEU 248 N 0.80 0.14 -0.24 2.94 3.38 -0.93 0.36 115.31 121.76 2rce h LEU 248 Ca 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2rce h LEU 248 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2rce h LEU 248 CO -0.03 0.55 0.02 0.40 0.09 0.00 0.00 178.44 179.48 2rce h ILE 249 N 0.11 1.24 0.00 1.22 2.04 -0.96 -3.07 117.51 118.09 2rce h ILE 249 Ca 0.01 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2rce h ILE 249 Cb 0.81 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2rce h ILE 249 CO 0.06 0.26 -0.40 -2.11 0.00 0.00 0.00 178.15 175.96 2rce n ARG 250 N -4.68 0.24 -0.90 2.37 1.85 -1.00 -5.08 116.66 109.47 2rce n ARG 250 Ca -0.04 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2rce n ARG 250 Cb 0.22 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.93 2rce n ARG 250 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37